data_1sym_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 1sym _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' ' ' SER . . . . . 0.468 ' HB2' ' HG3' ' B' ' 39' ' ' GLU . 17.2 p . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.483 ' HB3' HG21 ' B' ' 13' ' ' VAL . 11.7 mm-40 -80.75 -58.36 3.14 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.232 -0.917 . . . . 0.0 110.531 -179.497 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.534 ' O ' ' CB ' ' A' ' 7' ' ' MET . 1.7 tp -60.31 -30.9 69.79 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.156 -0.965 . . . . 0.0 110.706 -178.662 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.52 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 17.1 tt0 -73.01 -65.63 0.77 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.999 -1.063 . . . . 0.0 110.633 -178.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.81 -36.79 65.33 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.782 -1.199 . . . . 0.0 109.945 -179.252 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -81.06 -69.75 0.58 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.318 -0.864 . . . . 0.0 110.672 -179.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.534 ' CB ' ' O ' ' A' ' 3' ' ' LEU . 11.8 tpt -48.94 -54.03 17.2 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.24 -0.913 . . . . 0.0 109.659 -179.323 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.52 ' CG2' ' O ' ' A' ' 4' ' ' GLU . 15.6 t -56.2 -33.99 38.41 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.624 0 O-C-N 121.427 -0.796 . . . . 0.0 109.79 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.55 -35.6 76.41 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.093 -1.004 . . . . 0.0 108.959 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.524 HD11 ' CE ' ' A' ' 74' ' ' MET . 0.4 OUTLIER -58.83 -50.14 75.09 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.142 -0.974 . . . . 0.0 108.775 179.503 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.422 HD12 HG21 ' B' ' 81' ' ' THR . 20.6 mt -50.46 -27.22 4.29 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.279 -0.888 . . . . 0.0 108.611 179.28 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -72.12 -45.51 60.3 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.627 -0.671 . . . . 0.0 109.635 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.478 HG21 ' HB3' ' B' ' 2' ' ' GLU . 24.3 t -50.0 -46.06 23.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.388 -0.82 . . . . 0.0 109.669 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.455 ' CE2' ' HA ' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -61.18 -41.27 96.5 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.021 -1.049 . . . . 0.0 109.551 -179.688 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -69.72 -18.82 63.56 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.237 -0.914 . . . . 0.0 109.253 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 17' ' ' TYR . 28.1 tt0 -95.17 -77.94 0.46 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.327 -0.858 . . . . 0.0 109.585 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.428 ' C ' ' O ' ' A' ' 16' ' ' GLN . 5.0 m-85 -43.03 -51.89 5.51 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.346 -0.846 . . . . 0.0 109.746 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.493 1.681 0 O-C-N 121.173 -0.954 . . . . 0.0 109.559 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 . . . . . 0 N--CA 1.493 1.681 0 CA-C-O 121.156 0.503 . . . . 0.0 109.738 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.4 130.59 13.6 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.096 -1.002 . . . . 0.0 109.49 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.6 tp -98.9 -166.55 1.37 Allowed 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.281 -0.887 . . . . 0.0 109.326 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 67' ' ' GLU . 2.7 ttmt -130.88 134.01 46.4 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.29 -0.881 . . . . 0.0 108.88 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.592 ' HD2' ' N ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -40.99 -29.99 0.12 Allowed 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.292 -0.88 . . . . 0.0 110.638 -179.152 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.592 ' N ' ' HD2' ' A' ' 29' ' ' LYS . 7.1 t -80.09 -40.87 26.69 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.849 -1.157 . . . . 0.0 110.09 -179.498 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.526 ' O ' ' HB2' ' A' ' 35' ' ' LEU . 1.1 tp10 -72.76 -16.74 61.64 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 120.938 -1.101 . . . . 0.0 108.722 179.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.458 ' O ' HG13 ' A' ' 36' ' ' ILE . 23.0 tp -81.54 -55.13 4.87 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 178.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.3 tttt -55.34 -36.35 66.17 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 178.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.532 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 0.1 OUTLIER -73.9 -35.81 64.69 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 179.305 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.526 ' HB2' ' O ' ' A' ' 31' ' ' GLU . 0.1 OUTLIER -57.43 -38.96 75.24 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.579 -0.701 . . . . 0.0 109.481 179.648 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.529 ' CG2' HG22 ' A' ' 80' ' ' VAL . 0.7 OUTLIER -80.99 -52.88 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.429 -0.795 . . . . 0.0 110.653 -179.306 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.443 ' O ' ' OD1' ' A' ' 37' ' ' ASN . 20.8 t-20 -74.96 -1.72 23.86 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.241 -0.912 . . . . 0.0 111.038 -178.493 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.532 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 11.2 t30 -111.05 -63.77 1.36 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.833 -1.167 . . . . 0.0 109.722 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.538 ' HB3' ' CB ' ' B' ' 3' ' ' LEU . 1.0 OUTLIER -63.93 -57.24 10.37 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.224 -0.922 . . . . 0.0 109.646 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.479 HD22 ' HA ' ' B' ' 4' ' ' GLU . 9.3 mt -73.68 -101.49 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.152 -0.968 . . . . 0.0 109.234 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 40' ' ' LEU . 9.6 t 39.43 88.77 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.32 -0.863 . . . . 0.0 110.027 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -167.11 -59.56 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.122 -0.986 . . . . 0.0 109.779 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -88.25 23.81 2.05 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.222 -0.924 . . . . 0.0 109.747 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -87.45 125.08 34.07 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.168 -0.957 . . . . 0.0 108.857 179.497 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -130.34 -78.05 0.54 Allowed 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.228 -0.92 . . . . 0.0 109.746 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -106.95 -22.65 12.61 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.242 -0.911 . . . . 0.0 109.989 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.521 ' CG2' HG22 ' A' ' 53' ' ' VAL . 15.4 mt 61.03 88.78 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.091 -1.006 . . . . 0.0 109.158 -179.677 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.5 tttt -71.64 -33.36 68.85 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.187 -0.946 . . . . 0.0 109.945 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.497 ' HB3' ' CG2' ' A' ' 52' ' ' VAL . 10.4 mm-40 -85.88 60.69 6.39 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.907 -1.121 . . . . 0.0 109.457 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.544 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 37.6 tt0 -54.11 -21.58 8.93 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.29 -0.881 . . . . 0.0 109.085 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -80.12 -36.04 35.89 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.322 -0.861 . . . . 0.0 109.59 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.497 ' CG2' ' HB3' ' A' ' 49' ' ' GLU . 63.2 t -68.76 -51.16 48.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.197 -0.939 . . . . 0.0 109.38 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.548 ' O ' ' CB ' ' A' ' 57' ' ' MET . 39.0 t -72.85 -30.5 32.96 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.292 -0.88 . . . . 0.0 109.649 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.544 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 32.9 t0 -79.78 -18.65 50.49 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.955 -1.091 . . . . 0.0 108.842 179.42 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.86 -49.15 11.41 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.346 -0.846 . . . . 0.0 109.299 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.553 HG13 ' CE2' ' A' ' 76' ' ' PHE . 2.1 m -76.71 -35.48 25.12 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 O-C-N 121.194 -0.941 . . . . 0.0 108.662 179.517 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.548 ' CB ' ' O ' ' A' ' 53' ' ' VAL . 4.1 ttm -71.12 -24.85 62.37 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 179.133 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 54' ' ' ASP . 22.6 mt-10 -73.48 -55.17 6.69 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 179.317 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.474 ' O ' ' OD2' ' A' ' 63' ' ' ASP . 8.8 m -60.89 -26.98 67.81 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.135 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.5 mt -66.08 -54.13 29.5 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.2 -3.99 51.3 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.618 -0.676 . . . . 0.0 109.795 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -79.91 -42.71 23.57 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.134 -0.979 . . . . 0.0 110.073 -179.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.474 ' OD2' ' O ' ' A' ' 59' ' ' THR . 0.0 OUTLIER -94.58 -60.34 1.73 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.201 -0.937 . . . . 0.0 109.56 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.497 ' HA2' ' HD3' ' A' ' 29' ' ' LYS . . . 44.3 25.9 0.85 Allowed Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.25 -1.54 . . . . 0.0 109.25 -179.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 63' ' ' ASP . 22.7 t0 -143.83 -7.54 0.74 Allowed 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.309 -1.113 . . . . 0.0 110.846 -179.154 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.469 ' O ' ' HG3' ' A' ' 29' ' ' LYS . . . -115.14 -164.06 14.27 Favored Glycine 0 N--CA 1.488 2.136 0 O-C-N 120.672 -1.267 . . . . 0.0 110.238 -179.217 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.469 ' HA ' ' HA ' ' A' ' 28' ' ' LYS . 1.6 mp0 -121.46 155.28 35.24 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.407 -1.055 . . . . 0.0 109.495 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 15.1 m -99.97 165.3 11.61 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.223 -0.923 . . . . 0.0 109.598 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -102.02 -163.6 1.02 Allowed 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.205 -0.935 . . . . 0.0 109.39 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.629 ' CZ ' ' CG ' ' A' ' 71' ' ' GLN . 10.4 p90 -92.54 -33.53 14.42 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.262 -0.899 . . . . 0.0 109.229 179.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.629 ' CG ' ' CZ ' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -80.26 -23.62 40.66 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 178.66 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -78.09 -54.28 6.44 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -64.54 -19.31 65.55 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.292 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.524 ' CE ' HD11 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -78.27 -52.32 8.83 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.407 -0.808 . . . . 0.0 109.418 179.89 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.481 ' O ' ' HG3' ' A' ' 79' ' ' MET . . . -70.53 -17.54 62.94 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.266 -0.896 . . . . 0.0 108.929 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.553 ' CE2' HG13 ' A' ' 56' ' ' VAL . 1.5 m-85 -80.14 -39.27 29.79 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.444 -0.785 . . . . 0.0 109.541 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.467 ' O ' ' OG1' ' A' ' 81' ' ' THR . 59.8 t -71.51 -26.91 27.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 O-C-N 121.226 -0.921 . . . . 0.0 110.325 -179.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.518 ' HA ' ' CE ' ' B' ' 7' ' ' MET . 3.7 m -77.8 -44.39 27.62 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.09 -1.006 . . . . 0.0 110.409 -179.294 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.481 ' HG3' ' O ' ' A' ' 75' ' ' ALA . 1.9 mmm -57.58 -44.8 85.6 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.085 -1.01 . . . . 0.0 110.468 -179.221 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.529 HG22 ' CG2' ' A' ' 36' ' ' ILE . 2.6 m -69.98 -40.67 78.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.133 -0.98 . . . . 0.0 110.681 -178.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.467 ' OG1' ' O ' ' A' ' 77' ' ' VAL . 2.0 m -67.07 -8.63 31.94 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.731 -1.231 . . . . 0.0 109.304 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.557 ' HB ' ' CE2' ' B' ' 70' ' ' PHE . 10.4 p -117.2 -0.4 12.08 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.297 -0.877 . . . . 0.0 109.709 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.43 ' HB3' HG21 ' A' ' 53' ' ' VAL . . . . . . . . 0 N--CA 1.492 1.625 0 O-C-N 121.158 -0.964 . . . . 0.0 109.608 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 1' ' ' SER . . . . . 0.461 ' HB2' ' HG3' ' A' ' 39' ' ' GLU . 17.0 p . . . . . 0 N--CA 1.491 1.619 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.478 ' HB3' HG21 ' A' ' 13' ' ' VAL . 11.7 mm-40 -80.74 -58.4 3.12 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.271 -0.893 . . . . 0.0 110.617 -179.478 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.538 ' CB ' ' HB3' ' A' ' 39' ' ' GLU . 1.6 tp -60.25 -30.99 69.78 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.217 -0.927 . . . . 0.0 110.686 -178.749 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . 0.531 ' O ' ' CG2' ' B' ' 8' ' ' VAL . 17.1 tt0 -72.88 -65.81 0.75 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.911 -1.118 . . . . 0.0 110.643 -178.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.85 -36.7 65.34 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.82 -1.175 . . . . 0.0 109.852 -179.198 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -81.07 -69.9 0.57 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.268 -0.895 . . . . 0.0 110.647 -179.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' MET . . . . . 0.538 ' CB ' ' O ' ' B' ' 3' ' ' LEU . 11.9 tpt -48.81 -54.17 16.24 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.28 -0.888 . . . . 0.0 109.557 -179.312 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . 0.531 ' CG2' ' O ' ' B' ' 4' ' ' GLU . 15.6 t -56.12 -33.93 37.76 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 O-C-N 121.497 -0.752 . . . . 0.0 109.828 -179.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.68 -35.64 76.77 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.069 -1.02 . . . . 0.0 108.941 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.525 HD11 ' CE ' ' B' ' 74' ' ' MET . 0.4 OUTLIER -58.72 -50.2 74.77 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.226 -0.921 . . . . 0.0 108.761 179.48 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.408 ' O ' HG21 ' B' ' 11' ' ' ILE . 20.7 mt -50.44 -27.26 4.29 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 179.283 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -72.08 -45.44 60.67 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.58 -0.7 . . . . 0.0 109.685 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . 0.483 HG21 ' HB3' ' A' ' 2' ' ' GLU . 24.4 t -50.02 -46.08 23.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.4 -0.812 . . . . 0.0 109.655 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.46 ' CE2' ' HA ' ' B' ' 70' ' ' PHE . 0.1 OUTLIER -61.17 -41.23 96.41 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.047 -1.033 . . . . 0.0 109.549 -179.696 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -69.72 -18.87 63.55 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.213 -0.93 . . . . 0.0 109.254 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' B' ' 17' ' ' TYR . 28.0 tt0 -95.27 -77.71 0.47 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.363 -0.836 . . . . 0.0 109.609 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.404 ' C ' ' O ' ' B' ' 16' ' ' GLN . 4.9 m-85 -43.17 -51.93 5.78 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.259 -0.901 . . . . 0.0 109.717 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.492 1.665 0 O-C-N 121.223 -0.923 . . . . 0.0 109.596 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 . . . . . 0 N--CA 1.493 1.685 0 CA-C-O 121.19 0.519 . . . . 0.0 109.834 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.39 130.74 13.73 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.176 -0.953 . . . . 0.0 109.5 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 3.6 tp -98.98 -166.54 1.37 Allowed 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.351 -0.843 . . . . 0.0 109.294 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.473 ' HG2' ' HE2' ' B' ' 29' ' ' LYS . 2.7 ttmt -130.85 134.02 46.44 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.377 -0.827 . . . . 0.0 108.973 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.584 ' HD2' ' N ' ' B' ' 30' ' ' SER . 0.0 OUTLIER -41.0 -30.01 0.12 Allowed 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.233 -0.917 . . . . 0.0 110.542 -179.131 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.584 ' N ' ' HD2' ' B' ' 29' ' ' LYS . 7.1 t -80.17 -40.91 26.34 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.916 -1.115 . . . . 0.0 110.047 -179.469 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.519 ' O ' ' HB2' ' B' ' 35' ' ' LEU . 1.1 tp10 -72.68 -16.86 61.68 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.059 -1.026 . . . . 0.0 108.642 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.452 ' O ' HG13 ' B' ' 36' ' ' ILE . 23.1 tp -81.46 -55.2 4.84 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 178.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.406 ' HE3' ' HE1' ' B' ' 57' ' ' MET . 23.2 tttt -55.38 -36.31 66.25 Favored 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 178.464 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.53 ' O ' ' CB ' ' B' ' 38' ' ' ASN . 0.1 OUTLIER -73.9 -35.98 64.72 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 179.337 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.519 ' HB2' ' O ' ' B' ' 31' ' ' GLU . 0.1 OUTLIER -57.44 -38.96 75.26 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.51 -0.744 . . . . 0.0 109.381 179.702 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.526 ' CG2' HG22 ' B' ' 80' ' ' VAL . 0.7 OUTLIER -81.04 -52.78 13.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.393 -0.817 . . . . 0.0 110.698 -179.331 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.441 ' O ' ' OD1' ' B' ' 37' ' ' ASN . 20.8 t-20 -75.12 -1.56 23.64 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.213 -0.93 . . . . 0.0 110.944 -178.471 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.53 ' CB ' ' O ' ' B' ' 34' ' ' GLU . 11.3 t30 -111.17 -63.75 1.37 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.791 -1.193 . . . . 0.0 109.723 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.524 ' HB3' ' CB ' ' A' ' 3' ' ' LEU . 1.0 OUTLIER -64.04 -57.19 10.41 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.123 -0.986 . . . . 0.0 109.501 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.466 HD22 ' HA ' ' A' ' 4' ' ' GLU . 9.3 mt -73.75 -101.51 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.115 -0.991 . . . . 0.0 109.226 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.447 ' C ' ' O ' ' B' ' 40' ' ' LEU . 9.6 t 39.36 88.79 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.272 -0.892 . . . . 0.0 110.075 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -167.07 -59.66 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.244 -0.91 . . . . 0.0 109.734 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 36.1 p90 -88.1 23.77 2.01 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.138 -0.976 . . . . 0.0 109.823 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -87.49 125.15 34.14 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.178 -0.952 . . . . 0.0 108.956 179.512 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -130.41 -78.12 0.54 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.291 -0.881 . . . . 0.0 109.769 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -106.93 -22.69 12.6 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.371 -0.83 . . . . 0.0 109.978 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.524 ' CG2' HG22 ' B' ' 53' ' ' VAL . 15.6 mt 61.11 88.8 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.105 -0.997 . . . . 0.0 109.131 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 24.7 tttt -71.74 -33.21 68.5 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.108 -0.995 . . . . 0.0 109.965 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.496 ' HB3' ' CG2' ' B' ' 52' ' ' VAL . 10.3 mm-40 -86.03 60.81 6.46 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.113 -0.992 . . . . 0.0 109.361 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . 0.555 ' O ' ' CB ' ' B' ' 54' ' ' ASP . 37.6 tt0 -54.1 -21.7 9.17 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.276 -0.89 . . . . 0.0 109.101 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -80.03 -35.97 36.47 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.286 -0.884 . . . . 0.0 109.657 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . 0.496 ' CG2' ' HB3' ' B' ' 49' ' ' GLU . 63.2 t -68.77 -51.21 47.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.253 -0.905 . . . . 0.0 109.417 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.541 ' O ' ' CB ' ' B' ' 57' ' ' MET . 38.8 t -72.87 -30.49 32.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.222 -0.924 . . . . 0.0 109.594 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . 0.555 ' CB ' ' O ' ' B' ' 50' ' ' GLN . 32.9 t0 -79.81 -18.61 50.51 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.974 -1.079 . . . . 0.0 108.743 179.437 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.94 -49.16 11.33 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.324 -0.86 . . . . 0.0 109.319 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.559 HG13 ' CE2' ' B' ' 76' ' ' PHE . 2.2 m -76.69 -35.49 25.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.132 -0.98 . . . . 0.0 108.678 179.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.541 ' CB ' ' O ' ' B' ' 53' ' ' VAL . 4.1 ttm -71.3 -24.75 62.2 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.158 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . 0.496 ' CG ' ' O ' ' B' ' 54' ' ' ASP . 22.4 mt-10 -73.48 -55.16 6.7 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.302 -0.874 . . . . 0.0 108.707 179.25 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' THR . . . . . 0.481 ' O ' ' OD2' ' B' ' 63' ' ' ASP . 8.5 m -60.8 -27.02 67.7 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.025 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 10.5 mt -66.12 -54.02 30.67 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.521 -0.737 . . . . 0.0 109.126 179.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.29 -3.96 51.44 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.636 -0.665 . . . . 0.0 109.725 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 72.1 tt0 -80.0 -42.63 23.47 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.125 -0.985 . . . . 0.0 109.98 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.481 ' OD2' ' O ' ' B' ' 59' ' ' THR . 0.0 OUTLIER -94.53 -60.44 1.71 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.248 -0.907 . . . . 0.0 109.691 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . 0.5 ' HA2' ' HD3' ' B' ' 29' ' ' LYS . . . 44.37 25.99 0.89 Allowed Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.273 -1.531 . . . . 0.0 109.273 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' B' ' 63' ' ' ASP . 22.6 t0 -143.9 -7.53 0.74 Allowed 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.306 -1.114 . . . . 0.0 110.876 -179.112 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . 0.464 ' O ' ' HG3' ' B' ' 29' ' ' LYS . . . -115.19 -164.14 14.27 Favored Glycine 0 N--CA 1.488 2.119 0 C-N-CA 119.697 -1.24 . . . . 0.0 110.307 -179.187 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.465 ' HA ' ' HA ' ' B' ' 28' ' ' LYS . 1.6 mp0 -121.34 155.24 35.17 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.38 -1.071 . . . . 0.0 109.494 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 14.8 m -100.03 165.31 11.59 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.157 -0.964 . . . . 0.0 109.568 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -102.01 -163.59 1.02 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.257 -0.902 . . . . 0.0 109.456 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.621 ' CZ ' ' CG ' ' B' ' 71' ' ' GLN . 10.3 p90 -92.5 -33.56 14.43 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.226 -0.921 . . . . 0.0 109.205 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . 0.621 ' CG ' ' CZ ' ' B' ' 70' ' ' PHE . 0.1 OUTLIER -80.32 -23.57 40.52 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 178.672 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -78.2 -54.19 6.51 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -64.62 -19.35 65.64 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 179.312 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' MET . . . . . 0.525 ' CE ' HD11 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -78.22 -52.25 8.96 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.412 -0.805 . . . . 0.0 109.478 179.861 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.478 ' O ' ' HG3' ' B' ' 79' ' ' MET . . . -70.7 -17.3 62.83 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.19 -0.944 . . . . 0.0 108.927 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.559 ' CE2' HG13 ' B' ' 56' ' ' VAL . 1.5 m-85 -80.3 -39.2 29.24 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.447 -0.783 . . . . 0.0 109.586 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.462 ' O ' ' OG1' ' B' ' 81' ' ' THR . 59.9 t -71.47 -26.96 27.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.294 -0.879 . . . . 0.0 110.256 -179.581 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.504 ' HA ' ' CE ' ' A' ' 7' ' ' MET . 3.7 m -77.85 -44.38 27.46 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.053 -1.03 . . . . 0.0 110.453 -179.263 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' MET . . . . . 0.478 ' HG3' ' O ' ' B' ' 75' ' ' ALA . 1.9 mmm -57.51 -44.82 85.34 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.069 -1.02 . . . . 0.0 110.488 -179.276 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . 0.526 HG22 ' CG2' ' B' ' 36' ' ' ILE . 2.6 m -70.04 -40.65 78.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.18 -0.95 . . . . 0.0 110.687 -178.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.462 ' OG1' ' O ' ' B' ' 77' ' ' VAL . 2.0 m -67.09 -8.6 31.86 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.825 -1.172 . . . . 0.0 109.266 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.567 ' HB ' ' CE2' ' A' ' 70' ' ' PHE . 10.3 p -117.18 -0.44 12.08 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.173 -0.955 . . . . 0.0 109.655 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . 0.431 ' HB3' HG21 ' B' ' 53' ' ' VAL . . . . . . . . 0 N--CA 1.491 1.592 0 O-C-N 121.122 -0.986 . . . . 0.0 109.716 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' SER . . . . . 0.52 ' CB ' ' OE1' ' B' ' 39' ' ' GLU . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 121.289 0.566 . . . . 0.0 109.504 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.541 ' HB3' ' CG2' ' B' ' 13' ' ' VAL . 4.0 tp10 -78.45 -61.01 2.14 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.257 -0.902 . . . . 0.0 109.765 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.53 ' CD2' ' HB2' ' B' ' 39' ' ' GLU . 4.0 tp -62.59 -53.83 48.71 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.358 -0.839 . . . . 0.0 110.181 -179.626 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.532 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 2.6 tm-20 -48.22 -35.97 12.92 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.127 -0.983 . . . . 0.0 110.253 -178.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.447 ' HB2' ' O ' ' A' ' 1' ' ' SER . 0.0 OUTLIER -80.15 -33.36 38.55 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.965 -1.084 . . . . 0.0 109.813 -179.661 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.462 ' HB1' ' HB2' ' B' ' 9' ' ' ALA . . . -80.8 -67.78 0.74 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.23 -0.919 . . . . 0.0 110.001 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.521 ' CE ' HG13 ' B' ' 77' ' ' VAL . 7.0 tpp -46.18 -51.49 14.06 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.413 -0.804 . . . . 0.0 109.864 -179.557 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.532 ' CG2' ' O ' ' A' ' 4' ' ' GLU . 21.5 t -64.04 -31.8 54.74 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.561 0 O-C-N 121.343 -0.848 . . . . 0.0 109.746 -179.254 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.464 ' HB2' ' HB1' ' B' ' 6' ' ' ALA . . . -65.29 -34.56 78.62 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.233 -0.917 . . . . 0.0 109.448 179.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.51 ' CD2' HD13 ' B' ' 3' ' ' LEU . 0.6 OUTLIER -63.13 -62.58 1.61 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.368 -0.833 . . . . 0.0 109.173 179.81 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 10' ' ' LEU . 52.8 mt -46.04 -28.61 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 O-C-N 121.333 -0.854 . . . . 0.0 108.752 179.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 13' ' ' VAL . 15.4 t0 -62.6 -51.85 65.68 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.507 -0.746 . . . . 0.0 109.04 179.455 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.528 ' CG2' ' HB3' ' B' ' 2' ' ' GLU . 36.4 t -45.53 -34.26 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.275 -0.891 . . . . 0.0 109.078 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.619 ' CD1' ' CE1' ' A' ' 73' ' ' PHE . 15.3 t80 -62.31 -49.74 74.42 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.297 -0.877 . . . . 0.0 109.096 179.695 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.521 ' O ' ' CG ' ' A' ' 15' ' ' HIS . 4.0 t-80 -75.77 -4.95 43.41 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.259 -0.9 . . . . 0.0 109.038 179.624 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.474 ' HB2' ' HA ' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -74.15 -37.53 64.0 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.21 -0.931 . . . . 0.0 109.662 -179.709 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.529 ' OH ' ' CD2' ' A' ' 35' ' ' LEU . 8.7 p90 -159.61 33.02 0.19 Allowed 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.203 -0.936 . . . . 0.0 109.287 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.526 ' HA ' ' CD1' ' A' ' 27' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.56 0 O-C-N 121.29 -0.881 . . . . 0.0 109.414 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 25.6 m-70 . . . . . 0 N--CA 1.489 1.492 0 CA-C-O 121.169 0.509 . . . . 0.0 110.006 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt -122.56 125.67 46.18 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.25 -0.906 . . . . 0.0 109.433 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.526 ' CD1' ' HA ' ' A' ' 18' ' ' SER . 1.6 tp -96.89 -158.29 0.65 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.225 -0.922 . . . . 0.0 109.507 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -150.47 -173.2 4.39 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.077 -1.015 . . . . 0.0 109.771 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.463 ' HG3' ' CB ' ' A' ' 63' ' ' ASP . 14.5 mmtt -80.78 -29.41 36.15 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.237 -0.914 . . . . 0.0 109.651 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 29.6 p -80.67 -36.39 32.46 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.138 -0.976 . . . . 0.0 109.553 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.476 ' O ' ' HB2' ' A' ' 35' ' ' LEU . 2.5 tt0 -80.49 -24.86 39.15 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.151 -0.968 . . . . 0.0 108.821 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.501 ' CG ' HD23 ' A' ' 60' ' ' LEU . 50.6 tp -80.39 -42.14 23.34 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 179.177 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.454 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -60.63 -35.61 76.6 Favored 'General case' 0 N--CA 1.485 1.301 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.356 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.585 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 0.0 OUTLIER -80.32 -32.46 37.92 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 179.141 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.556 ' N ' ' HG3' ' A' ' 34' ' ' GLU . 0.1 OUTLIER -53.58 -48.42 69.22 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-O 121.727 0.775 . . . . 0.0 108.939 179.341 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.552 ' O ' ' HB2' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -80.42 -54.35 10.86 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 O-C-N 121.595 -0.691 . . . . 0.0 110.582 -179.357 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -70.41 -0.69 8.75 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 120.827 -1.171 . . . . 0.0 112.015 -177.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.585 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 2.0 t30 -102.91 -33.0 9.48 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.525 -1.359 . . . . 0.0 110.553 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.547 ' HB2' ' CD2' ' B' ' 3' ' ' LEU . 3.7 mm-40 -114.52 -26.14 8.05 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.804 -1.185 . . . . 0.0 110.605 -179.044 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.643 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 1.2 mm? -79.41 -52.81 7.59 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 40' ' ' LEU . 26.6 t -39.25 97.23 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.462 0 CA-C-O 121.315 0.579 . . . . 0.0 109.869 179.629 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.456 ' N ' ' O ' ' A' ' 40' ' ' LEU . 8.2 t60 -179.59 -34.04 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.332 -0.855 . . . . 0.0 109.169 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.406 ' CZ ' HG23 ' B' ' 8' ' ' VAL . 0.0 OUTLIER -116.74 25.12 10.78 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.373 -0.829 . . . . 0.0 108.905 179.63 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.1 mp -97.72 115.53 28.16 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.295 -0.878 . . . . 0.0 109.56 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -125.91 -75.18 0.59 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.271 -0.893 . . . . 0.0 109.307 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.402 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 7.5 mt-10 -90.68 -45.58 8.78 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.311 -0.868 . . . . 0.0 109.498 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.402 ' HB ' ' O ' ' A' ' 46' ' ' GLU . 10.2 mm 66.37 82.17 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.264 -0.898 . . . . 0.0 109.45 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.27 -34.04 72.32 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.213 -0.929 . . . . 0.0 109.628 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.512 ' OE1' ' CG2' ' A' ' 52' ' ' VAL . 13.4 mm-40 -85.96 61.74 7.02 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.117 -0.989 . . . . 0.0 109.215 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.48 ' O ' ' HB2' ' A' ' 54' ' ' ASP . 6.8 tt0 -55.89 -24.63 38.53 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.157 -0.964 . . . . 0.0 109.502 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.46 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 1.8 mt-10 -77.02 -32.39 57.05 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.167 -0.958 . . . . 0.0 109.7 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.512 ' CG2' ' OE1' ' A' ' 49' ' ' GLU . 78.4 t -69.49 -49.93 55.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.268 -0.895 . . . . 0.0 109.865 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.436 ' O ' HG11 ' A' ' 53' ' ' VAL . 72.6 t -75.15 -30.52 23.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.264 -0.897 . . . . 0.0 109.438 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.48 ' HB2' ' O ' ' A' ' 50' ' ' GLN . 1.8 m-20 -79.78 -18.18 51.62 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.185 -0.947 . . . . 0.0 108.811 179.306 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.46 ' HB2' ' O ' ' A' ' 51' ' ' GLU . 7.3 tmtt? -78.47 -45.8 21.25 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.381 -0.824 . . . . 0.0 109.12 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.524 ' CG1' ' SD ' ' A' ' 79' ' ' MET . 4.2 m -76.14 -38.74 35.02 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 O-C-N 121.137 -0.977 . . . . 0.0 108.892 179.435 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 47.5 tpp -68.92 -23.75 64.21 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.47 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 10.0 mt-10 -74.12 -56.88 4.4 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.377 -0.827 . . . . 0.0 109.112 179.585 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.5 m -60.32 -26.84 66.86 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.388 -0.968 . . . . 0.0 108.388 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.501 HD23 ' CG ' ' A' ' 32' ' ' LEU . 10.6 mt -67.38 -53.74 26.61 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-O 121.534 0.683 . . . . 0.0 109.438 179.606 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.83 -5.57 51.31 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.37 -0.831 . . . . 0.0 109.81 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -73.5 -57.59 3.9 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.191 -0.943 . . . . 0.0 109.692 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.463 ' CB ' ' HG3' ' A' ' 29' ' ' LYS . 0.8 OUTLIER -79.37 -64.16 1.25 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.347 -0.846 . . . . 0.0 109.454 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.439 ' O ' ' HB2' ' A' ' 29' ' ' LYS . . . 93.29 -51.74 2.44 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -125.6 32.05 5.4 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.347 -1.09 . . . . 0.0 109.356 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.92 162.9 30.34 Favored Glycine 0 N--CA 1.488 2.165 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -89.34 148.35 23.57 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.231 -1.158 . . . . 0.0 109.486 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.475 ' HB3' ' OE2' ' A' ' 72' ' ' GLU . 3.8 m -127.38 153.69 45.92 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.199 -0.938 . . . . 0.0 109.571 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -92.83 -178.0 4.7 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.25 -0.906 . . . . 0.0 109.122 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.581 ' CE2' ' HG3' ' A' ' 71' ' ' GLN . 41.5 p90 -83.58 -28.04 28.83 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.19 -0.943 . . . . 0.0 109.962 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.581 ' HG3' ' CE2' ' A' ' 70' ' ' PHE . 3.9 mt-30 -80.12 -22.24 42.34 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.157 -0.964 . . . . 0.0 109.673 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.554 ' HG3' ' N ' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -80.41 -37.79 31.45 Favored 'General case' 0 C--N 1.307 -1.282 0 O-C-N 121.004 -1.06 . . . . 0.0 109.264 -179.738 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.619 ' CE1' ' CD1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -78.85 -26.48 44.06 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 179.394 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.482 ' HB2' ' O ' ' A' ' 70' ' ' PHE . 3.9 mmm -76.85 -45.72 27.31 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.609 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.467 ' O ' ' HG2' ' A' ' 79' ' ' MET . . . -70.66 -22.2 62.52 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 179.272 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.451 ' HB2' ' O ' ' A' ' 72' ' ' GLU . 1.5 m-85 -78.93 -36.87 41.11 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 179.487 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.509 HG13 ' CE ' ' B' ' 7' ' ' MET . 53.9 t -64.23 -26.09 39.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.579 -0.701 . . . . 0.0 109.498 179.741 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.465 ' O ' ' OG1' ' A' ' 82' ' ' THR . 0.1 OUTLIER -79.52 -66.14 0.91 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.331 -0.856 . . . . 0.0 110.324 -179.374 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.524 ' SD ' ' CG1' ' A' ' 56' ' ' VAL . 0.0 OUTLIER -43.52 -32.36 0.9 Allowed 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.168 -0.958 . . . . 0.0 110.241 -178.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.452 HG21 ' O ' ' A' ' 77' ' ' VAL . 29.8 m -80.16 -46.04 22.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 120.991 -1.068 . . . . 0.0 110.14 -179.456 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.491 ' OG1' ' O ' ' A' ' 77' ' ' VAL . 0.6 OUTLIER -78.03 2.52 17.5 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.922 -1.111 . . . . 0.0 109.233 179.512 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.513 HG23 ' CD2' ' B' ' 70' ' ' PHE . 0.2 OUTLIER -135.94 5.77 3.1 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.332 -0.855 . . . . 0.0 109.464 -179.909 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.426 ' O ' ' HG3' ' A' ' 49' ' ' GLU . . . . . . . . 0 N--CA 1.491 1.6 0 O-C-N 121.251 -0.906 . . . . 0.0 109.419 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 1' ' ' SER . . . . . 0.513 ' CB ' ' OE1' ' A' ' 39' ' ' GLU . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.528 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 4.0 tp10 -78.53 -60.9 2.19 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.402 -0.811 . . . . 0.0 109.782 -179.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.547 ' CD2' ' HB2' ' A' ' 39' ' ' GLU . 4.0 tp -62.6 -53.92 47.42 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.418 -0.801 . . . . 0.0 110.039 -179.594 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . 0.527 ' O ' ' CG2' ' B' ' 8' ' ' VAL . 2.6 tm-20 -48.21 -35.94 12.81 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 121.095 -1.003 . . . . 0.0 110.349 -178.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.434 ' HB2' ' O ' ' B' ' 1' ' ' SER . 0.0 OUTLIER -80.18 -33.39 38.37 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.861 -1.149 . . . . 0.0 109.797 -179.697 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . 0.464 ' HB1' ' HB2' ' A' ' 9' ' ' ALA . . . -80.8 -67.78 0.74 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.357 -0.839 . . . . 0.0 110.0 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' MET . . . . . 0.509 ' CE ' HG13 ' A' ' 77' ' ' VAL . 7.0 tpp -46.17 -51.58 13.88 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.309 -0.869 . . . . 0.0 109.8 -179.555 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . 0.527 ' CG2' ' O ' ' B' ' 4' ' ' GLU . 21.5 t -63.92 -31.91 55.07 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.601 0 O-C-N 121.365 -0.835 . . . . 0.0 109.821 -179.301 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . 0.462 ' HB2' ' HB1' ' A' ' 6' ' ' ALA . . . -65.31 -34.47 78.41 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.133 -0.98 . . . . 0.0 109.462 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.517 ' CD2' HD13 ' A' ' 3' ' ' LEU . 0.6 OUTLIER -63.21 -62.52 1.64 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.445 -0.785 . . . . 0.0 109.095 179.816 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' B' ' 10' ' ' LEU . 53.7 mt -46.1 -28.57 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.434 0 O-C-N 121.359 -0.838 . . . . 0.0 108.761 179.567 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' B' ' 13' ' ' VAL . 15.4 t0 -62.65 -51.84 65.69 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.357 -0.839 . . . . 0.0 109.082 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . 0.541 ' CG2' ' HB3' ' A' ' 2' ' ' GLU . 36.3 t -45.51 -34.36 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.283 -0.886 . . . . 0.0 109.043 179.689 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.615 ' CD1' ' CE1' ' B' ' 73' ' ' PHE . 15.3 t80 -62.15 -49.84 74.27 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.349 -0.845 . . . . 0.0 109.178 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . 0.525 ' O ' ' CG ' ' B' ' 15' ' ' HIS . 4.1 t-80 -75.61 -5.04 43.44 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.271 -0.893 . . . . 0.0 109.15 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.47 ' HB2' ' HA ' ' B' ' 13' ' ' VAL . 0.5 OUTLIER -73.98 -37.65 64.39 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.214 -0.929 . . . . 0.0 109.775 -179.727 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.53 ' OH ' ' CD2' ' B' ' 35' ' ' LEU . 8.7 p90 -159.57 32.97 0.19 Allowed 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.302 -0.874 . . . . 0.0 109.239 -179.745 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.529 ' HA ' ' CD1' ' B' ' 27' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.553 0 O-C-N 121.449 -0.782 . . . . 0.0 109.399 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 25.8 m-70 . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 121.257 0.551 . . . . 0.0 110.106 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -122.64 125.79 46.33 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.245 -0.909 . . . . 0.0 109.376 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.529 ' CD1' ' HA ' ' B' ' 18' ' ' SER . 1.6 tp -96.87 -158.25 0.65 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.215 -0.928 . . . . 0.0 109.53 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -150.45 -173.15 4.37 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.11 -0.994 . . . . 0.0 109.767 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.464 ' HG3' ' CB ' ' B' ' 63' ' ' ASP . 14.5 mmtt -80.82 -29.4 35.95 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.14 -0.975 . . . . 0.0 109.705 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 29.8 p -80.63 -36.48 32.54 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.124 -0.985 . . . . 0.0 109.536 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.476 ' O ' ' HB2' ' B' ' 35' ' ' LEU . 2.5 tt0 -80.57 -24.84 38.93 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.076 -1.015 . . . . 0.0 108.769 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.503 ' CG ' HD23 ' B' ' 60' ' ' LEU . 50.8 tp -80.35 -42.23 23.29 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 179.16 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.451 ' HB2' ' O ' ' B' ' 29' ' ' LYS . 0.4 OUTLIER -60.57 -35.68 76.66 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 179.3 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.579 ' O ' ' CB ' ' B' ' 38' ' ' ASN . 0.0 OUTLIER -80.34 -32.44 37.86 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 179.206 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.562 ' N ' ' HG3' ' B' ' 34' ' ' GLU . 0.1 OUTLIER -53.56 -48.47 69.11 Favored 'General case' 0 C--N 1.297 -1.682 0 CA-C-O 121.735 0.778 . . . . 0.0 108.906 179.335 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.549 ' O ' ' HB2' ' B' ' 40' ' ' LEU . 0.3 OUTLIER -80.45 -54.35 10.83 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 O-C-N 121.567 -0.708 . . . . 0.0 110.507 -179.246 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -70.52 -0.65 8.91 Favored 'General case' 0 C--N 1.294 -1.841 0 O-C-N 120.72 -1.238 . . . . 0.0 111.946 -177.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.579 ' CB ' ' O ' ' B' ' 34' ' ' GLU . 2.0 t30 -102.94 -33.02 9.46 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.558 -1.339 . . . . 0.0 110.478 -179.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.53 ' HB2' ' CD2' ' A' ' 3' ' ' LEU . 3.7 mm-40 -114.57 -26.15 8.03 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.894 -1.129 . . . . 0.0 110.586 -179.015 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.635 ' CD2' ' N ' ' B' ' 40' ' ' LEU . 1.2 mm? -79.42 -52.85 7.53 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 -179.728 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.446 ' C ' ' O ' ' B' ' 40' ' ' LEU . 26.8 t -39.2 97.18 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 CA-C-O 121.284 0.564 . . . . 0.0 109.9 179.627 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . 0.458 ' N ' ' O ' ' B' ' 40' ' ' LEU . 8.2 t60 -179.58 -34.03 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.406 -0.809 . . . . 0.0 109.105 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . 0.414 ' CZ ' HG23 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -116.68 25.1 10.81 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.369 -0.832 . . . . 0.0 108.99 179.645 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 8.0 mp -97.7 115.56 28.2 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.406 -0.809 . . . . 0.0 109.539 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -125.89 -75.11 0.59 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.33 -0.856 . . . . 0.0 109.413 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . 0.402 ' O ' ' HB ' ' B' ' 47' ' ' ILE . 7.5 mt-10 -90.69 -45.66 8.73 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.379 -0.826 . . . . 0.0 109.483 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.402 ' HB ' ' O ' ' B' ' 46' ' ' GLU . 10.1 mm 66.39 82.28 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.23 -0.919 . . . . 0.0 109.433 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.4 -34.04 72.07 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.238 -0.914 . . . . 0.0 109.57 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.51 ' OE1' ' CG2' ' B' ' 52' ' ' VAL . 13.6 mm-40 -85.9 61.62 6.96 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.077 -1.014 . . . . 0.0 109.235 179.722 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . 0.484 ' O ' ' HB2' ' B' ' 54' ' ' ASP . 6.8 tt0 -55.84 -24.63 37.67 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.182 -0.949 . . . . 0.0 109.434 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.465 ' O ' ' HB2' ' B' ' 55' ' ' LYS . 1.8 mt-10 -76.96 -32.4 57.26 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.236 -0.915 . . . . 0.0 109.708 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . 0.51 ' CG2' ' OE1' ' B' ' 49' ' ' GLU . 79.0 t -69.47 -50.0 54.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.214 -0.929 . . . . 0.0 109.882 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.43 ' O ' HG11 ' B' ' 53' ' ' VAL . 72.7 t -75.16 -30.43 23.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.074 -1.017 . . . . 0.0 109.45 -179.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . 0.484 ' HB2' ' O ' ' B' ' 50' ' ' GLN . 1.8 m-20 -79.93 -18.17 51.18 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.288 -0.883 . . . . 0.0 108.681 179.318 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . 0.465 ' HB2' ' O ' ' B' ' 51' ' ' GLU . 7.4 tmtt? -78.4 -45.74 21.6 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.348 -0.845 . . . . 0.0 109.139 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.523 ' CG1' ' SD ' ' B' ' 79' ' ' MET . 4.3 m -76.28 -38.61 33.73 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.364 0 O-C-N 121.155 -0.966 . . . . 0.0 108.887 179.445 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 47.4 tpp -69.03 -23.7 64.1 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 179.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . 0.464 ' HB2' ' O ' ' B' ' 54' ' ' ASP . 10.1 mt-10 -74.09 -56.95 4.31 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.44 -0.787 . . . . 0.0 109.092 179.559 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.3 m -60.24 -26.81 66.72 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.132 -0.98 . . . . 0.0 108.399 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.503 HD23 ' CG ' ' B' ' 32' ' ' LEU . 10.5 mt -67.57 -53.59 27.01 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.631 -0.668 . . . . 0.0 109.486 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.94 -5.49 51.31 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.494 -0.754 . . . . 0.0 109.724 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -73.5 -57.69 3.83 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.2 -0.938 . . . . 0.0 109.618 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.464 ' CB ' ' HG3' ' B' ' 29' ' ' LYS . 0.8 OUTLIER -79.31 -64.17 1.25 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.358 -0.839 . . . . 0.0 109.489 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . 0.443 ' O ' ' HB2' ' B' ' 29' ' ' LYS . . . 93.31 -51.83 2.44 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.549 -1.421 . . . . 0.0 109.549 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -125.53 31.92 5.44 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.354 -1.086 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.82 162.89 30.46 Favored Glycine 0 N--CA 1.489 2.183 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -89.28 148.27 23.66 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.363 -1.081 . . . . 0.0 109.509 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.476 ' HB3' ' OE2' ' B' ' 72' ' ' GLU . 3.8 m -127.34 153.74 45.82 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.165 -0.959 . . . . 0.0 109.556 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -92.83 -177.97 4.69 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.351 -0.843 . . . . 0.0 109.089 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.573 ' CE2' ' HG3' ' B' ' 71' ' ' GLN . 41.7 p90 -83.71 -28.05 28.55 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.08 -1.013 . . . . 0.0 109.805 -179.59 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . 0.573 ' HG3' ' CE2' ' B' ' 70' ' ' PHE . 3.9 mt-30 -80.09 -22.14 42.55 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.048 -1.033 . . . . 0.0 109.705 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.558 ' HG3' ' N ' ' B' ' 73' ' ' PHE . 0.0 OUTLIER -80.47 -37.87 31.03 Favored 'General case' 0 C--N 1.306 -1.29 0 O-C-N 120.946 -1.096 . . . . 0.0 109.263 -179.755 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.615 ' CE1' ' CD1' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -78.78 -26.55 44.44 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 179.4 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' MET . . . . . 0.486 ' HB2' ' O ' ' B' ' 70' ' ' PHE . 3.9 mmm -76.82 -45.76 27.39 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.59 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.472 ' O ' ' HG2' ' B' ' 79' ' ' MET . . . -70.62 -22.2 62.55 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 179.321 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.458 ' HB2' ' O ' ' B' ' 72' ' ' GLU . 1.5 m-85 -78.92 -36.95 41.06 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 179.493 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.521 HG13 ' CE ' ' A' ' 7' ' ' MET . 54.0 t -64.14 -26.13 39.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.633 -0.667 . . . . 0.0 109.418 179.69 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.465 ' O ' ' OG1' ' B' ' 82' ' ' THR . 0.1 OUTLIER -79.58 -66.11 0.92 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.198 -0.939 . . . . 0.0 110.399 -179.376 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' MET . . . . . 0.523 ' SD ' ' CG1' ' B' ' 56' ' ' VAL . 0.0 OUTLIER -43.55 -32.22 0.88 Allowed 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.191 -0.943 . . . . 0.0 110.262 -178.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . 0.453 HG21 ' O ' ' B' ' 77' ' ' VAL . 29.9 m -80.16 -46.17 22.09 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.04 -1.037 . . . . 0.0 110.134 -179.46 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.489 ' OG1' ' O ' ' B' ' 77' ' ' VAL . 0.6 OUTLIER -77.93 2.35 17.72 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.108 -0.995 . . . . 0.0 109.132 179.554 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.534 HG23 ' CD2' ' A' ' 70' ' ' PHE . 0.2 OUTLIER -135.86 5.86 3.12 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.31 -0.869 . . . . 0.0 109.462 -179.85 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . 0.429 ' O ' ' HG3' ' B' ' 49' ' ' GLU . . . . . . . . 0 N--CA 1.49 1.532 0 O-C-N 121.265 -0.897 . . . . 0.0 109.52 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.489 1.514 0 CA-C-O 121.333 0.587 . . . . 0.0 109.479 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.544 ' HB3' ' CG2' ' B' ' 13' ' ' VAL . 1.3 tp10 -79.62 -29.79 41.18 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.239 -0.913 . . . . 0.0 109.74 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.532 ' CD2' HD11 ' B' ' 35' ' ' LEU . 5.3 tp -73.99 -42.01 61.06 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.199 -0.938 . . . . 0.0 109.841 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.489 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 2.3 tm-20 -73.09 -51.64 17.27 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.294 -0.879 . . . . 0.0 110.046 -179.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -31.15 71.73 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.035 -1.041 . . . . 0.0 110.37 -179.416 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.53 ' CB ' ' O ' ' A' ' 2' ' ' GLU . . . -80.31 -63.25 1.45 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.084 -1.01 . . . . 0.0 110.365 -179.318 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.504 ' CE ' HG13 ' B' ' 77' ' ' VAL . 14.3 tpp -53.49 -52.66 58.84 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.153 -0.967 . . . . 0.0 109.819 -179.283 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.489 ' CG2' ' O ' ' A' ' 4' ' ' GLU . 10.8 t -61.8 -28.08 43.52 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.597 0 O-C-N 121.262 -0.899 . . . . 0.0 109.464 -179.499 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.471 ' HB2' ' HB1' ' B' ' 6' ' ' ALA . . . -65.96 -39.1 90.12 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.142 -0.974 . . . . 0.0 108.921 179.339 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.466 HD22 HD13 ' B' ' 3' ' ' LEU . 0.1 OUTLIER -59.53 -28.36 67.02 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.344 -0.847 . . . . 0.0 109.017 179.783 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.527 ' CD1' ' N ' ' A' ' 11' ' ' ILE . 1.3 mp -70.88 -31.8 46.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 179.167 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.449 ' HB3' ' HG2' ' B' ' 2' ' ' GLU . 10.8 t70 -64.35 -57.89 8.04 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.479 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.549 ' CG1' ' N ' ' A' ' 14' ' ' PHE . 0.5 OUTLIER -55.95 -56.83 10.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 179.417 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.553 ' CD1' ' CE2' ' A' ' 73' ' ' PHE . 40.0 t80 -43.1 -34.42 1.06 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.592 -0.692 . . . . 0.0 109.951 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 26.2 t-80 -73.7 -49.07 27.51 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.114 -0.992 . . . . 0.0 109.319 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.79 -34.83 41.62 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.444 -0.785 . . . . 0.0 109.396 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.588 ' CZ ' HD23 ' A' ' 35' ' ' LEU . 51.6 m-85 -81.84 -35.08 29.77 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.441 -0.787 . . . . 0.0 109.78 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.492 1.628 0 O-C-N 121.236 -0.915 . . . . 0.0 109.602 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 2.6 m80 . . . . . 0 N--CA 1.491 1.625 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.491 ' O ' ' CD ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -143.77 122.88 12.89 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.128 -0.983 . . . . 0.0 109.656 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.408 HD22 ' HA ' ' A' ' 27' ' ' LEU . 1.7 mt -98.31 -161.37 0.87 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.227 -0.921 . . . . 0.0 109.222 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.463 ' O ' ' CB ' ' A' ' 32' ' ' LEU . 33.4 mtpt -141.96 -174.5 4.1 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.125 -0.984 . . . . 0.0 109.458 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.5 mmtp -89.19 -25.76 21.61 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.164 -0.96 . . . . 0.0 109.308 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 29.3 p -80.4 -46.04 16.67 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.331 -0.856 . . . . 0.0 109.472 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.471 ' O ' ' HB2' ' A' ' 35' ' ' LEU . 14.1 tt0 -74.81 -22.94 58.44 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 179.554 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.488 ' CD2' ' SG ' ' A' ' 68' ' ' CYS . 16.6 tp -77.62 -44.21 29.03 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 178.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.487 ' CA ' HD23 ' A' ' 60' ' ' LEU . 38.9 tttm -57.08 -41.67 79.24 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 179.159 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.553 ' HG3' ' N ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -74.77 -32.9 62.18 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 179.484 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.588 HD23 ' CZ ' ' A' ' 17' ' ' TYR . 0.1 OUTLIER -56.24 -42.89 78.07 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-O 121.245 0.545 . . . . 0.0 109.738 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.527 ' O ' ' CB ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -81.16 -48.98 18.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.357 -0.839 . . . . 0.0 110.46 -179.37 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.464 ' HA ' ' HB2' ' A' ' 41' ' ' SER . 50.5 t-20 -77.33 0.5 22.06 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.959 -1.088 . . . . 0.0 111.384 -178.329 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.528 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 10.1 t30 -113.35 -72.74 0.69 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.746 -1.222 . . . . 0.0 110.194 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.471 ' HB3' ' HB3' ' B' ' 3' ' ' LEU . 87.7 mt-10 -85.14 12.5 7.73 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.112 -0.993 . . . . 0.0 109.848 -179.444 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.527 ' CB ' ' O ' ' A' ' 36' ' ' ILE . 0.2 OUTLIER -128.73 -32.31 2.13 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.315 -0.866 . . . . 0.0 109.318 179.845 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.464 ' HB2' ' HA ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -71.74 81.54 0.87 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.357 -0.839 . . . . 0.0 109.67 179.703 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -124.88 -12.55 7.04 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.157 -0.964 . . . . 0.0 109.284 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.491 ' N ' ' CD1' ' A' ' 43' ' ' PHE . 5.0 p90 -138.53 27.81 2.49 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.242 -0.911 . . . . 0.0 109.06 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.462 HD13 HG12 ' A' ' 47' ' ' ILE . 1.5 tt -99.24 145.01 27.7 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.355 -0.84 . . . . 0.0 109.536 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -170.72 -33.71 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.275 -0.891 . . . . 0.0 109.783 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.457 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 0.2 OUTLIER -125.71 -37.49 2.31 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.134 -0.979 . . . . 0.0 108.711 179.825 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.48 ' CG2' HG22 ' A' ' 53' ' ' VAL . 66.9 mt 64.0 112.27 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.155 -0.965 . . . . 0.0 109.415 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -89.71 -44.86 9.73 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.197 -0.939 . . . . 0.0 109.477 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.461 ' HB3' ' HB ' ' A' ' 52' ' ' VAL . 12.3 mm-40 -79.46 77.66 6.01 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.065 -1.022 . . . . 0.0 109.311 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.544 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 6.4 tt0 -60.72 -22.63 64.18 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.259 -0.9 . . . . 0.0 109.544 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.449 ' O ' ' HE2' ' A' ' 55' ' ' LYS . 3.9 mt-10 -80.15 -36.18 35.51 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.26 -0.9 . . . . 0.0 109.955 -179.607 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.499 ' CG1' ' HB3' ' A' ' 83' ' ' ALA . 90.9 t -72.76 -43.9 60.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.189 -0.944 . . . . 0.0 109.83 -179.582 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.48 HG22 ' CG2' ' A' ' 47' ' ' ILE . 45.7 t -77.27 -26.32 15.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.138 -0.976 . . . . 0.0 109.13 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.544 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 15.2 t70 -77.73 -27.64 50.61 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.319 -0.863 . . . . 0.0 109.516 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.531 ' HG3' ' N ' ' A' ' 56' ' ' VAL . 1.6 ptpt -80.44 -44.8 18.67 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.071 -1.018 . . . . 0.0 109.768 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.531 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 35.5 m -73.79 -46.25 47.6 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.306 0 O-C-N 120.969 -1.082 . . . . 0.0 108.59 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.472 ' CB ' ' O ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -62.97 -25.11 68.22 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 179.128 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.489 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 17.3 mt-10 -75.06 -56.66 4.52 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.303 -0.873 . . . . 0.0 108.867 179.509 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -56.42 -26.26 52.89 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 179.127 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.487 HD23 ' CA ' ' A' ' 33' ' ' LYS . 11.0 mt -68.71 -57.12 6.12 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.7 1.57 29.59 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.441 -0.787 . . . . 0.0 109.781 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -80.36 -51.68 8.58 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.172 -0.955 . . . . 0.0 109.792 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.76 -60.38 1.83 Allowed 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.321 -0.862 . . . . 0.0 109.603 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.07 -53.04 4.61 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.454 -1.459 . . . . 0.0 109.454 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -108.42 32.8 4.55 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.203 -1.175 . . . . 0.0 109.425 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.95 -179.57 44.42 Favored Glycine 0 N--CA 1.488 2.158 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.415 ' HA ' ' HA ' ' A' ' 28' ' ' LYS . 0.8 OUTLIER -122.62 129.47 51.91 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.186 -1.185 . . . . 0.0 109.594 -179.88 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.488 ' SG ' ' CD2' ' A' ' 32' ' ' LEU . 1.3 m -97.04 153.15 18.1 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.283 -0.886 . . . . 0.0 109.242 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -89.83 -161.82 0.82 Allowed 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.288 -0.883 . . . . 0.0 109.249 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -91.72 -44.97 8.69 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.074 -1.016 . . . . 0.0 109.116 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.501 ' HG3' ' N ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -75.53 -20.67 58.55 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.246 -0.909 . . . . 0.0 109.012 179.567 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.501 ' N ' ' HG3' ' A' ' 71' ' ' GLN . 0.7 OUTLIER -76.78 -55.89 5.09 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.431 -0.793 . . . . 0.0 109.162 179.729 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.553 ' CE2' ' CD1' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -60.78 -22.3 63.96 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.256 -0.902 . . . . 0.0 108.97 179.618 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.06 -51.55 9.42 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.334 -0.854 . . . . 0.0 109.734 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.458 ' O ' ' HG3' ' A' ' 79' ' ' MET . . . -69.07 -14.54 63.08 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.355 -0.841 . . . . 0.0 109.184 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.9 -33.91 39.5 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.364 -0.835 . . . . 0.0 109.368 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.523 HG13 ' CE ' ' B' ' 7' ' ' MET . 59.4 t -74.7 -26.85 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.38 -0.825 . . . . 0.0 109.552 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 52.9 m -77.66 -37.78 49.11 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.216 -0.928 . . . . 0.0 110.642 -179.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.458 ' HG3' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -66.86 -33.73 76.25 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.982 -1.074 . . . . 0.0 110.503 -179.047 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.451 HG22 ' CG2' ' A' ' 36' ' ' ILE . 6.7 m -80.32 -39.26 18.81 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 120.974 -1.078 . . . . 0.0 109.895 -179.494 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.487 ' OG1' ' O ' ' A' ' 77' ' ' VAL . 3.1 m -62.03 -15.47 44.68 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.007 -1.058 . . . . 0.0 108.65 179.195 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.453 ' CG2' ' HB3' ' B' ' 71' ' ' GLN . 87.3 m -103.91 -15.65 15.59 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.568 -0.707 . . . . 0.0 109.386 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.499 ' HB3' ' CG1' ' A' ' 52' ' ' VAL . . . . . . . . 0 N--CA 1.489 1.483 0 O-C-N 121.391 -0.818 . . . . 0.0 109.822 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 121.32 0.581 . . . . 0.0 109.463 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.531 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 1.3 tp10 -79.65 -29.82 41.05 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.257 -0.902 . . . . 0.0 109.743 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.529 ' CD2' HD11 ' A' ' 35' ' ' LEU . 5.3 tp -74.05 -41.73 61.32 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.283 -0.885 . . . . 0.0 109.755 -179.653 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . 0.497 ' O ' ' CG2' ' B' ' 8' ' ' VAL . 2.3 tm-20 -73.32 -51.53 17.17 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.245 -0.91 . . . . 0.0 110.01 -179.369 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.62 -31.11 71.59 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.073 -1.017 . . . . 0.0 110.224 -179.315 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . 0.524 ' CB ' ' O ' ' B' ' 2' ' ' GLU . . . -80.33 -63.29 1.44 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.188 -0.945 . . . . 0.0 110.348 -179.237 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' MET . . . . . 0.523 ' CE ' HG13 ' A' ' 77' ' ' VAL . 14.4 tpp -53.46 -52.72 58.59 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.252 -0.905 . . . . 0.0 109.829 -179.291 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' B' ' 4' ' ' GLU . 10.7 t -61.64 -28.21 43.66 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.534 0 O-C-N 121.238 -0.914 . . . . 0.0 109.489 -179.629 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . 0.449 ' HB2' ' HG3' ' A' ' 2' ' ' GLU . . . -65.93 -39.16 90.26 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.212 -0.93 . . . . 0.0 108.991 179.368 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.438 HD22 HD13 ' A' ' 3' ' ' LEU . 0.1 OUTLIER -59.38 -28.43 66.88 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.349 -0.844 . . . . 0.0 108.923 179.811 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.517 ' N ' ' CD1' ' B' ' 11' ' ' ILE . 1.2 mp -70.81 -31.93 47.31 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 179.177 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . 0.416 ' HB3' ' HG2' ' A' ' 2' ' ' GLU . 10.8 t70 -64.38 -57.77 8.38 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.458 -0.776 . . . . 0.0 108.977 179.46 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . 0.546 ' CG1' ' N ' ' B' ' 14' ' ' PHE . 0.5 OUTLIER -56.0 -56.9 10.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 179.397 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.558 ' CD1' ' CE2' ' B' ' 73' ' ' PHE . 40.0 t80 -43.12 -34.36 1.06 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.592 -0.693 . . . . 0.0 109.867 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 26.1 t-80 -73.79 -49.02 27.3 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.191 -0.943 . . . . 0.0 109.398 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.77 -34.88 41.61 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.452 -0.78 . . . . 0.0 109.518 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.59 ' CZ ' HD23 ' B' ' 35' ' ' LEU . 51.5 m-85 -81.81 -35.16 29.79 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.456 -0.777 . . . . 0.0 109.7 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.52 0 O-C-N 121.331 -0.856 . . . . 0.0 109.662 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 2.5 m80 . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.484 ' CD ' ' O ' ' B' ' 26' ' ' LYS . 0.0 OUTLIER -143.77 122.92 12.91 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.226 -0.921 . . . . 0.0 109.727 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.8 mt -98.34 -161.54 0.88 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.359 -0.838 . . . . 0.0 109.28 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.466 ' O ' ' CB ' ' B' ' 32' ' ' LEU . 33.6 mtpt -141.81 -174.4 4.06 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.166 -0.959 . . . . 0.0 109.587 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 2.5 mmtp -89.29 -25.72 21.53 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.035 -1.041 . . . . 0.0 109.248 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 29.1 p -80.58 -46.0 16.44 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.284 -0.885 . . . . 0.0 109.45 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.474 ' O ' ' HB2' ' B' ' 35' ' ' LEU . 14.0 tt0 -74.89 -22.95 58.34 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.53 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.483 ' CD2' ' SG ' ' B' ' 68' ' ' CYS . 16.8 tp -77.55 -44.23 29.25 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 178.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.481 ' CA ' HD23 ' B' ' 60' ' ' LEU . 38.8 tttm -57.19 -41.67 79.8 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 179.173 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.558 ' HG3' ' N ' ' B' ' 35' ' ' LEU . 0.0 OUTLIER -74.76 -32.92 62.2 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.596 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.59 HD23 ' CZ ' ' B' ' 17' ' ' TYR . 0.1 OUTLIER -56.4 -42.86 78.66 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.818 -0.552 . . . . 0.0 109.623 -179.907 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.518 ' O ' ' CB ' ' B' ' 40' ' ' LEU . 0.3 OUTLIER -81.07 -48.99 18.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.387 -0.821 . . . . 0.0 110.542 -179.425 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.455 ' HA ' ' HB2' ' B' ' 41' ' ' SER . 50.3 t-20 -77.38 0.42 22.49 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.038 -1.039 . . . . 0.0 111.266 -178.317 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.537 ' CB ' ' O ' ' B' ' 34' ' ' GLU . 10.0 t30 -113.26 -72.93 0.68 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.636 -1.29 . . . . 0.0 110.235 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.439 ' HB3' ' HB3' ' A' ' 3' ' ' LEU . 87.7 mt-10 -85.04 12.54 7.48 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.162 -0.962 . . . . 0.0 109.856 -179.443 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.518 ' CB ' ' O ' ' B' ' 36' ' ' ILE . 0.2 OUTLIER -128.85 -32.32 2.11 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.231 -0.918 . . . . 0.0 109.227 179.868 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.455 ' HB2' ' HA ' ' B' ' 37' ' ' ASN . 0.2 OUTLIER -71.85 81.6 0.9 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.346 -0.846 . . . . 0.0 109.61 179.784 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 7.6 t-80 -124.83 -12.48 7.07 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.172 -0.955 . . . . 0.0 109.226 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . 0.485 ' N ' ' CD1' ' B' ' 43' ' ' PHE . 5.0 p90 -138.55 27.8 2.49 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.228 -0.92 . . . . 0.0 109.066 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.454 HD13 HG12 ' B' ' 47' ' ' ILE . 1.5 tt -99.23 145.16 27.54 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.325 -0.86 . . . . 0.0 109.614 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -170.81 -33.87 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.329 -0.857 . . . . 0.0 109.819 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . 0.457 ' O ' ' HB ' ' B' ' 47' ' ' ILE . 0.3 OUTLIER -125.73 -37.49 2.31 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.133 -0.979 . . . . 0.0 108.707 179.896 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.484 ' CG2' HG22 ' B' ' 53' ' ' VAL . 67.2 mt 63.9 112.43 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.263 -0.898 . . . . 0.0 109.388 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -89.78 -44.86 9.69 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.155 -0.965 . . . . 0.0 109.459 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.467 ' HB2' ' HA ' ' B' ' 83' ' ' ALA . 12.3 mm-40 -79.44 77.67 5.99 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.199 -0.938 . . . . 0.0 109.324 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . 0.538 ' O ' ' CB ' ' B' ' 54' ' ' ASP . 6.4 tt0 -60.79 -22.56 64.24 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.307 -0.87 . . . . 0.0 109.577 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.456 ' O ' ' HE2' ' B' ' 55' ' ' LYS . 3.9 mt-10 -80.13 -36.19 35.63 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.292 -0.88 . . . . 0.0 109.938 -179.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . 0.501 ' CG1' ' HB3' ' B' ' 83' ' ' ALA . 91.7 t -72.75 -43.91 60.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.053 -1.03 . . . . 0.0 109.847 -179.57 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.484 HG22 ' CG2' ' B' ' 47' ' ' ILE . 45.4 t -77.47 -26.08 15.18 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.51 0 O-C-N 121.083 -1.011 . . . . 0.0 109.179 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . 0.538 ' CB ' ' O ' ' B' ' 50' ' ' GLN . 15.1 t70 -77.82 -27.65 50.04 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.41 -0.806 . . . . 0.0 109.409 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . 0.518 ' HG3' ' N ' ' B' ' 56' ' ' VAL . 1.6 ptpt -80.38 -44.85 18.71 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.117 -0.989 . . . . 0.0 109.879 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.518 ' N ' ' HG3' ' B' ' 55' ' ' LYS . 35.5 m -73.79 -46.19 47.77 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 O-C-N 120.79 -1.194 . . . . 0.0 108.651 179.63 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.477 ' CB ' ' O ' ' B' ' 53' ' ' VAL . 0.0 OUTLIER -62.99 -25.18 68.26 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.091 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . 0.475 ' HB2' ' O ' ' B' ' 54' ' ' ASP . 17.2 mt-10 -74.95 -56.58 4.61 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.298 -0.876 . . . . 0.0 108.847 179.536 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -56.62 -26.18 55.13 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 179.152 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.481 HD23 ' CA ' ' B' ' 33' ' ' LYS . 10.9 mt -68.72 -57.07 6.18 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.574 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.84 1.71 29.51 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.512 -0.742 . . . . 0.0 109.734 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -80.38 -51.65 8.6 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.208 -0.933 . . . . 0.0 109.717 -179.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.88 -60.34 1.83 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.338 -0.851 . . . . 0.0 109.663 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.17 -53.23 4.61 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -108.26 32.68 4.61 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.126 -1.22 . . . . 0.0 109.404 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.82 -179.58 44.6 Favored Glycine 0 N--CA 1.489 2.173 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.412 ' HA ' ' HA ' ' B' ' 28' ' ' LYS . 0.8 OUTLIER -122.58 129.61 52.11 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.231 -1.158 . . . . 0.0 109.589 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.483 ' SG ' ' CD2' ' B' ' 32' ' ' LEU . 1.3 m -97.15 153.21 18.12 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.348 -0.845 . . . . 0.0 109.246 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -89.86 -161.81 0.82 Allowed 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.277 -0.889 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -91.73 -45.01 8.66 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.234 -0.916 . . . . 0.0 109.013 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . 0.497 ' HG3' ' N ' ' B' ' 72' ' ' GLU . 0.0 OUTLIER -75.54 -20.57 58.58 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.194 -0.941 . . . . 0.0 109.061 179.647 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.497 ' N ' ' HG3' ' B' ' 71' ' ' GLN . 0.7 OUTLIER -76.83 -55.82 5.14 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.48 -0.763 . . . . 0.0 109.23 179.658 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.558 ' CE2' ' CD1' ' B' ' 14' ' ' PHE . 0.1 OUTLIER -60.86 -22.31 64.12 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.319 -0.863 . . . . 0.0 108.891 179.602 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.1 -51.6 9.33 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.246 -0.909 . . . . 0.0 109.676 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.448 ' O ' ' HG3' ' B' ' 79' ' ' MET . . . -68.98 -14.64 63.16 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.294 -0.879 . . . . 0.0 109.177 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.77 -34.02 40.13 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.433 -0.792 . . . . 0.0 109.408 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.504 HG13 ' CE ' ' A' ' 7' ' ' MET . 59.0 t -74.61 -26.94 20.35 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.475 0 O-C-N 121.394 -0.816 . . . . 0.0 109.475 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.43 ' HA ' ' CE ' ' A' ' 7' ' ' MET . 53.0 m -77.62 -37.99 48.97 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.289 -0.882 . . . . 0.0 110.623 -179.315 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' MET . . . . . 0.448 ' HG3' ' O ' ' B' ' 75' ' ' ALA . 0.0 OUTLIER -66.7 -33.76 76.36 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.96 -1.087 . . . . 0.0 110.559 -179.097 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . 0.461 HG11 HG23 ' B' ' 56' ' ' VAL . 6.6 m -80.2 -39.45 19.22 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 O-C-N 121.052 -1.03 . . . . 0.0 109.855 -179.453 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.485 ' OG1' ' O ' ' B' ' 77' ' ' VAL . 3.2 m -62.03 -15.45 44.5 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.107 -0.996 . . . . 0.0 108.526 179.336 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 87.0 m -103.93 -15.61 15.59 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.548 -0.72 . . . . 0.0 109.393 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . 0.501 ' HB3' ' CG1' ' B' ' 52' ' ' VAL . . . . . . . . 0 N--CA 1.489 1.476 0 O-C-N 121.346 -0.846 . . . . 0.0 109.819 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' SER . . . . . 0.401 ' O ' ' HB2' ' A' ' 5' ' ' LYS . 89.0 p . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 121.353 0.597 . . . . 0.0 109.425 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.534 ' HB3' ' CG2' ' B' ' 13' ' ' VAL . 1.0 OUTLIER -77.86 -67.19 0.75 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.297 -0.877 . . . . 0.0 109.721 -179.871 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.508 ' HB3' ' CB ' ' B' ' 39' ' ' GLU . 15.8 tp -56.86 -56.85 16.29 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.4 -0.812 . . . . 0.0 109.875 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.539 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 5.3 tm-20 -43.74 -33.5 1.28 Allowed 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.405 -0.809 . . . . 0.0 110.071 -179.129 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 1' ' ' SER . 0.0 OUTLIER -80.78 -40.0 25.83 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.953 -1.092 . . . . 0.0 110.13 -179.671 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.486 ' HB3' ' CB ' ' B' ' 9' ' ' ALA . . . -79.79 -65.6 0.98 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.306 -0.871 . . . . 0.0 109.993 -179.323 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.516 ' HG2' ' CD1' ' B' ' 40' ' ' LEU . 8.1 tpt -45.6 -52.07 11.13 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.391 -0.818 . . . . 0.0 109.801 -179.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.557 HG23 ' CE1' ' B' ' 43' ' ' PHE . 25.7 t -63.99 -39.17 84.47 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 O-C-N 121.384 -0.822 . . . . 0.0 109.928 -179.404 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.519 ' CB ' ' HB3' ' B' ' 6' ' ' ALA . . . -55.03 -39.76 69.48 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.122 -0.986 . . . . 0.0 109.489 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.462 HD11 ' HE2' ' A' ' 74' ' ' MET . 0.2 OUTLIER -58.28 -48.17 81.3 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.105 -0.997 . . . . 0.0 109.153 179.812 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.478 HD13 ' N ' ' A' ' 11' ' ' ILE . 1.8 mp -51.6 -31.6 12.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.14 -0.975 . . . . 0.0 108.63 179.398 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -60.93 -58.3 9.03 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.404 -0.81 . . . . 0.0 109.681 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.548 ' CG2' ' HB3' ' B' ' 2' ' ' GLU . 53.9 t -47.18 -41.3 6.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.447 -0.783 . . . . 0.0 109.932 -179.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.567 ' CE2' ' HA ' ' A' ' 70' ' ' PHE . 19.0 t80 -61.04 -54.43 44.88 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.12 -0.988 . . . . 0.0 110.116 -179.216 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -69.45 -4.94 20.72 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.123 -0.986 . . . . 0.0 109.859 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -91.05 -41.78 10.88 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.105 -0.997 . . . . 0.0 109.706 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.497 ' CE2' ' CD2' ' A' ' 35' ' ' LEU . 23.4 m-85 -78.4 -54.97 5.61 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.287 -0.883 . . . . 0.0 110.039 -179.536 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.458 ' O ' ' OG ' ' A' ' 18' ' ' SER . 3.2 t . . . . . 0 N--CA 1.492 1.672 0 O-C-N 121.12 -0.987 . . . . 0.0 109.871 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.6 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 12.4 t60 . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 121.111 0.481 . . . . 0.0 110.293 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -150.33 146.57 26.82 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.619 -1.301 . . . . 0.0 109.983 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.45 HD13 ' HB2' ' A' ' 18' ' ' SER . 1.3 tp -128.38 -154.16 0.62 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.329 -0.857 . . . . 0.0 108.964 179.412 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.471 ' HG2' ' O ' ' A' ' 66' ' ' GLY . 8.5 mtpt -146.43 160.91 41.46 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.268 -0.895 . . . . 0.0 109.541 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.5 ' O ' ' CD2' ' A' ' 60' ' ' LEU . 6.2 mtpp -76.7 -18.85 58.28 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.275 -0.89 . . . . 0.0 109.092 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.6 t -80.6 -45.29 17.56 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.397 -0.814 . . . . 0.0 109.014 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.478 ' O ' ' HB2' ' A' ' 35' ' ' LEU . 0.8 OUTLIER -78.46 -20.75 50.25 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.116 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.577 HD11 ' CD2' ' A' ' 73' ' ' PHE . 2.7 tp -78.26 -44.14 26.29 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 178.424 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.553 ' HB2' ' CD2' ' A' ' 60' ' ' LEU . 0.1 OUTLIER -61.57 -43.21 99.27 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 178.32 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.411 ' O ' ' HB2' ' A' ' 38' ' ' ASN . 0.3 OUTLIER -68.61 -33.23 73.67 Favored 'General case' 0 C--N 1.296 -1.748 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 179.644 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.497 ' CD2' ' CE2' ' A' ' 17' ' ' TYR . 0.1 OUTLIER -58.57 -40.1 82.17 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 179.416 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.525 ' O ' ' HB3' ' A' ' 40' ' ' LEU . 0.5 OUTLIER -81.22 -59.15 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.419 -0.801 . . . . 0.0 110.429 -179.892 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -61.25 -3.78 0.99 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.229 -0.92 . . . . 0.0 111.597 -178.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.411 ' HB2' ' O ' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -111.57 -56.46 2.38 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.614 -1.304 . . . . 0.0 110.161 -179.543 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.504 ' CB ' ' HB3' ' B' ' 3' ' ' LEU . 0.8 OUTLIER -99.1 23.88 8.52 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.156 -0.965 . . . . 0.0 110.606 -178.898 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.534 ' CD1' ' HG2' ' B' ' 7' ' ' MET . 1.0 OUTLIER -141.74 -50.72 0.41 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.795 -1.191 . . . . 0.0 109.862 179.427 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -46.64 -22.52 0.3 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.251 -0.906 . . . . 0.0 110.125 -179.908 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.453 ' C ' ' O ' ' A' ' 41' ' ' SER . 0.3 OUTLIER -37.16 -32.28 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.487 -0.758 . . . . 0.0 110.301 -179.698 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.574 ' O ' ' CG ' ' A' ' 43' ' ' PHE . 15.6 p90 -135.84 116.94 14.37 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.012 -1.055 . . . . 0.0 109.531 179.659 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.493 HD11 ' O ' ' A' ' 43' ' ' PHE . 5.2 tp 173.19 -79.33 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.559 -0.713 . . . . 0.0 109.346 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 44' ' ' LEU . 5.0 mt-10 42.23 26.22 0.05 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.114 -0.991 . . . . 0.0 110.013 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 44' ' ' LEU . 1.7 mt-10 -143.25 -82.54 0.18 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.05 -1.031 . . . . 0.0 109.873 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.467 HD12 HD21 ' A' ' 44' ' ' LEU . 7.3 mt 58.62 105.64 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.18 -0.95 . . . . 0.0 109.265 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.4 tptp -106.62 -20.09 13.46 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.258 -0.901 . . . . 0.0 109.358 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.48 ' HB3' ' HB ' ' A' ' 52' ' ' VAL . 8.0 mm-40 -83.3 69.86 10.04 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.169 -0.957 . . . . 0.0 108.963 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.546 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 49.2 tt0 -49.04 -22.56 0.92 Allowed 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.21 -0.932 . . . . 0.0 109.74 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.2 -42.25 21.08 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.057 -1.027 . . . . 0.0 110.575 -179.396 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.48 ' HB ' ' HB3' ' A' ' 49' ' ' GLU . 54.7 t -70.92 -40.38 76.34 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.058 -1.026 . . . . 0.0 110.122 -179.12 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.474 ' O ' ' HB2' ' A' ' 57' ' ' MET . 36.5 t -80.72 -28.62 11.52 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 O-C-N 121.089 -1.007 . . . . 0.0 109.727 -179.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.546 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 28.8 t70 -81.76 -21.55 37.75 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.036 -1.04 . . . . 0.0 108.791 179.528 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.427 ' HD3' ' C ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -75.42 -44.71 43.1 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.239 -0.913 . . . . 0.0 109.165 179.827 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.575 HG11 ' CZ ' ' A' ' 76' ' ' PHE . 2.2 m -80.31 -35.31 15.4 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 O-C-N 121.013 -1.054 . . . . 0.0 108.638 179.27 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.474 ' HB2' ' O ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -72.39 -24.87 61.32 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.432 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.538 ' CG ' ' O ' ' A' ' 54' ' ' ASP . 1.2 mm-40 -74.2 -51.38 15.65 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 119.456 -0.898 . . . . 0.0 109.01 179.507 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.9 m -65.53 -24.17 67.05 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.553 ' CD2' ' HB2' ' A' ' 33' ' ' LYS . 10.9 mt -70.05 -52.97 19.66 Favored 'General case' 0 C--N 1.304 -1.404 0 CA-C-O 121.478 0.656 . . . . 0.0 109.501 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.34 -11.44 59.9 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.523 -0.736 . . . . 0.0 109.739 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.452 ' O ' ' OD1' ' A' ' 63' ' ' ASP . 38.2 tt0 -72.78 -36.22 67.57 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.234 -0.916 . . . . 0.0 109.821 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.48 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 68.6 m-20 -156.93 55.36 0.53 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.219 -0.925 . . . . 0.0 109.582 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 63' ' ' ASP . . . -40.24 -27.82 0.15 Allowed Glycine 0 N--CA 1.494 2.519 0 N-CA-C 109.973 -1.251 . . . . 0.0 109.973 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 63' ' ' ASP . 11.8 t0 -91.87 40.91 1.05 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.147 -1.208 . . . . 0.0 109.444 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.471 ' O ' ' HG2' ' A' ' 28' ' ' LYS . . . -108.06 171.95 16.63 Favored Glycine 0 N--CA 1.487 2.085 0 N-CA-C 109.606 -1.398 . . . . 0.0 109.606 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -106.57 128.63 54.28 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.13 -1.218 . . . . 0.0 109.712 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 87.1 m -105.65 171.49 7.3 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.276 -0.89 . . . . 0.0 109.575 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.452 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 1.5 m-20 -108.53 -177.33 3.29 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.259 -0.901 . . . . 0.0 109.428 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.58 ' CE1' ' HG3' ' A' ' 71' ' ' GLN . 6.6 p90 -79.56 -35.0 40.46 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.124 -0.985 . . . . 0.0 109.214 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.58 ' HG3' ' CE1' ' A' ' 70' ' ' PHE . 1.1 mt-30 -78.58 -26.48 45.52 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.247 -0.908 . . . . 0.0 109.068 179.444 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.482 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -78.13 -50.91 11.09 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.313 -0.867 . . . . 0.0 108.979 179.786 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.577 ' CD2' HD11 ' A' ' 32' ' ' LEU . 5.2 t80 -62.17 -22.15 65.65 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.386 -0.821 . . . . 0.0 108.985 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.497 ' HB2' ' O ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -80.25 -55.45 4.9 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.301 -0.874 . . . . 0.0 109.801 -179.794 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.501 ' O ' ' CG ' ' A' ' 79' ' ' MET . . . -66.26 -16.56 64.12 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.34 -0.85 . . . . 0.0 109.087 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.575 ' CZ ' HG11 ' A' ' 56' ' ' VAL . 0.1 OUTLIER -77.17 -39.25 49.69 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.332 -0.855 . . . . 0.0 109.246 179.514 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.466 ' O ' ' OG1' ' A' ' 81' ' ' THR . 84.1 t -70.67 -27.61 31.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.389 -0.819 . . . . 0.0 109.847 -179.64 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.455 ' O ' ' OG1' ' A' ' 82' ' ' THR . 77.5 p -77.05 -42.63 37.61 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.122 -0.987 . . . . 0.0 110.515 -179.295 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.501 ' CG ' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -57.73 -46.05 84.95 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.926 -1.109 . . . . 0.0 110.201 -179.555 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.536 ' CG1' HG22 ' A' ' 56' ' ' VAL . 25.5 m -70.45 -45.08 76.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 O-C-N 121.183 -0.948 . . . . 0.0 110.623 -179.007 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.466 ' OG1' ' O ' ' A' ' 77' ' ' VAL . 1.9 m -66.56 -8.61 28.0 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.801 -1.187 . . . . 0.0 109.624 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.506 ' CG2' ' HG3' ' B' ' 74' ' ' MET . 61.0 p -129.73 13.55 5.88 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.248 -0.907 . . . . 0.0 109.361 179.661 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.469 ' O ' ' HG3' ' A' ' 49' ' ' GLU . . . . . . . . 0 N--CA 1.49 1.532 0 O-C-N 121.265 -0.897 . . . . 0.0 109.235 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 1' ' ' SER . . . . . 0.406 ' O ' ' HB2' ' B' ' 5' ' ' LYS . 89.1 p . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.548 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 1.0 OUTLIER -77.95 -67.26 0.75 Allowed 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.3 -0.875 . . . . 0.0 109.637 -179.863 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.504 ' HB3' ' CB ' ' A' ' 39' ' ' GLU . 15.8 tp -56.84 -56.84 16.47 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.272 -0.893 . . . . 0.0 109.851 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . 0.532 ' O ' ' CG2' ' B' ' 8' ' ' VAL . 5.3 tm-20 -43.76 -33.54 1.3 Allowed 'General case' 0 C--N 1.297 -1.706 0 O-C-N 121.394 -0.816 . . . . 0.0 110.119 -179.125 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' B' ' 1' ' ' SER . 0.0 OUTLIER -80.7 -39.99 26.17 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.986 -1.071 . . . . 0.0 110.203 -179.727 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . 0.519 ' HB3' ' CB ' ' A' ' 9' ' ' ALA . . . -79.78 -65.66 0.97 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.158 -0.964 . . . . 0.0 110.02 -179.396 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' MET . . . . . 0.534 ' HG2' ' CD1' ' A' ' 40' ' ' LEU . 8.1 tpt -45.56 -52.09 10.98 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.403 -0.811 . . . . 0.0 109.826 -179.691 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . 0.554 HG23 ' CE1' ' A' ' 43' ' ' PHE . 25.8 t -64.01 -39.13 84.33 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.548 0 O-C-N 121.349 -0.844 . . . . 0.0 109.915 -179.442 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . 0.486 ' CB ' ' HB3' ' A' ' 6' ' ' ALA . . . -55.1 -39.75 69.68 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.154 -0.966 . . . . 0.0 109.43 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.457 HD11 ' HE2' ' B' ' 74' ' ' MET . 0.2 OUTLIER -58.22 -48.25 80.96 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.143 -0.973 . . . . 0.0 109.108 179.809 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.488 ' N ' HD11 ' B' ' 11' ' ' ILE . 1.8 mp -51.57 -31.75 12.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.215 -0.928 . . . . 0.0 108.544 179.419 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -60.84 -58.34 8.87 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.529 -0.732 . . . . 0.0 109.739 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . 0.534 ' CG2' ' HB3' ' A' ' 2' ' ' GLU . 53.6 t -47.1 -41.33 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.383 -0.823 . . . . 0.0 109.955 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.57 ' CE2' ' HA ' ' B' ' 70' ' ' PHE . 18.7 t80 -60.94 -54.49 44.33 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.157 -0.965 . . . . 0.0 110.147 -179.246 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -69.5 -4.84 20.53 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.182 -0.949 . . . . 0.0 109.959 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -91.08 -41.69 10.91 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.11 -0.993 . . . . 0.0 109.67 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.487 ' CE2' ' CD2' ' B' ' 35' ' ' LEU . 23.6 m-85 -78.48 -54.97 5.59 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.288 -0.882 . . . . 0.0 110.027 -179.504 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.454 ' HB2' HD13 ' B' ' 27' ' ' LEU . 3.2 t . . . . . 0 N--CA 1.493 1.676 0 O-C-N 121.143 -0.973 . . . . 0.0 109.826 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . 0.602 ' O ' ' CG ' ' B' ' 25' ' ' HIS . 12.5 t60 . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 121.076 0.465 . . . . 0.0 110.283 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -150.47 146.5 26.67 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.648 -1.283 . . . . 0.0 109.957 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.454 HD13 ' HB2' ' B' ' 18' ' ' SER . 1.4 tp -128.29 -154.1 0.61 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.418 -0.801 . . . . 0.0 109.022 179.43 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.472 ' HG2' ' O ' ' B' ' 66' ' ' GLY . 8.6 mtpt -146.5 160.93 41.48 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.239 -0.913 . . . . 0.0 109.574 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.499 ' O ' ' CD2' ' B' ' 60' ' ' LEU . 6.2 mtpp -76.76 -18.83 58.22 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.322 -0.861 . . . . 0.0 109.06 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.6 t -80.59 -45.39 17.42 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.365 -0.834 . . . . 0.0 108.986 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.474 ' O ' ' HB2' ' B' ' 35' ' ' LEU . 0.8 OUTLIER -78.42 -20.71 50.51 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 179.103 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.578 HD11 ' CD2' ' B' ' 73' ' ' PHE . 2.6 tp -78.33 -44.06 26.18 Favored 'General case' 0 N--CA 1.487 1.384 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 178.428 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.548 ' HB2' ' CD2' ' B' ' 60' ' ' LEU . 0.1 OUTLIER -61.67 -43.08 99.54 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 178.314 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.414 ' O ' ' HB2' ' B' ' 38' ' ' ASN . 0.3 OUTLIER -68.66 -33.31 73.77 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 179.585 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.487 ' CD2' ' CE2' ' B' ' 17' ' ' TYR . 0.1 OUTLIER -58.37 -40.19 81.62 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 179.304 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.523 ' O ' ' HB3' ' B' ' 40' ' ' LEU . 0.5 OUTLIER -81.26 -59.24 3.0 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.445 -0.784 . . . . 0.0 110.351 -179.848 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -61.12 -3.81 0.94 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.183 -0.948 . . . . 0.0 111.695 -178.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.414 ' HB2' ' O ' ' B' ' 34' ' ' GLU . 0.2 OUTLIER -111.56 -56.5 2.37 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.666 -1.271 . . . . 0.0 110.182 -179.588 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.508 ' CB ' ' HB3' ' A' ' 3' ' ' LEU . 0.8 OUTLIER -99.02 23.83 8.52 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.093 -1.004 . . . . 0.0 110.659 -178.917 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.523 ' HB3' ' O ' ' B' ' 36' ' ' ILE . 1.1 tt -141.72 -50.7 0.41 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.882 -1.136 . . . . 0.0 109.904 179.418 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.461 ' O ' ' C ' ' B' ' 42' ' ' HIS . 0.1 OUTLIER -46.53 -22.62 0.29 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.333 -0.854 . . . . 0.0 110.161 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . 0.461 ' C ' ' O ' ' B' ' 41' ' ' SER . 0.3 OUTLIER -37.12 -32.26 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.508 -0.745 . . . . 0.0 110.366 -179.672 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . 0.574 ' CG ' ' O ' ' B' ' 43' ' ' PHE . 15.5 p90 -135.8 116.92 14.4 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.036 -1.04 . . . . 0.0 109.535 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.489 HD11 ' O ' ' B' ' 43' ' ' PHE . 5.1 tp 173.18 -79.29 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.451 -0.78 . . . . 0.0 109.477 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' B' ' 44' ' ' LEU . 5.0 mt-10 42.13 26.32 0.05 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.07 -1.019 . . . . 0.0 110.03 179.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' B' ' 44' ' ' LEU . 1.7 mt-10 -143.3 -82.59 0.17 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.9 -1.125 . . . . 0.0 109.841 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.465 HD12 HD21 ' B' ' 44' ' ' LEU . 7.3 mt 58.63 105.67 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.165 -0.959 . . . . 0.0 109.226 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 8.4 tptp -106.67 -20.14 13.45 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.215 -0.928 . . . . 0.0 109.412 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.476 ' HB3' ' HB ' ' B' ' 52' ' ' VAL . 8.0 mm-40 -83.14 69.77 9.95 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.193 -0.942 . . . . 0.0 108.989 179.563 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . 0.555 ' O ' ' CB ' ' B' ' 54' ' ' ASP . 49.2 tt0 -49.09 -22.54 0.95 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.314 -0.866 . . . . 0.0 109.718 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.17 -42.2 21.22 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.118 -0.989 . . . . 0.0 110.605 -179.426 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . 0.476 ' HB ' ' HB3' ' B' ' 49' ' ' GLU . 54.7 t -70.96 -40.35 76.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 120.981 -1.074 . . . . 0.0 110.159 -179.134 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.473 ' O ' ' HB2' ' B' ' 57' ' ' MET . 36.6 t -80.61 -28.67 11.66 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.509 0 O-C-N 121.096 -1.003 . . . . 0.0 109.755 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . 0.555 ' CB ' ' O ' ' B' ' 50' ' ' GLN . 28.8 t70 -81.78 -21.57 37.67 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 120.984 -1.073 . . . . 0.0 108.745 179.559 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . 0.434 ' HD3' ' C ' ' B' ' 55' ' ' LYS . 0.0 OUTLIER -75.37 -44.7 43.59 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.228 -0.92 . . . . 0.0 109.221 179.82 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.581 ' HA ' ' CZ ' ' B' ' 76' ' ' PHE . 2.2 m -80.3 -35.45 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 121.092 -1.005 . . . . 0.0 108.582 179.33 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.473 ' HB2' ' O ' ' B' ' 53' ' ' VAL . 0.0 OUTLIER -72.28 -24.98 61.42 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 179.452 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . 0.526 ' CG ' ' O ' ' B' ' 54' ' ' ASP . 1.2 mm-40 -74.08 -51.57 15.33 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.241 -0.912 . . . . 0.0 108.929 179.579 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 4.9 m -65.44 -24.21 67.12 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 179.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.548 ' CD2' ' HB2' ' B' ' 33' ' ' LYS . 10.8 mt -70.02 -52.9 20.33 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-O 121.474 0.654 . . . . 0.0 109.5 179.636 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.39 -11.51 59.91 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.529 -0.732 . . . . 0.0 109.654 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.446 ' O ' ' OD1' ' B' ' 63' ' ' ASP . 38.2 tt0 -72.78 -36.23 67.59 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.29 -0.881 . . . . 0.0 109.732 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.481 ' O ' ' HD3' ' B' ' 29' ' ' LYS . 68.6 m-20 -156.88 55.38 0.53 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.215 -0.928 . . . . 0.0 109.616 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' B' ' 63' ' ' ASP . . . -40.34 -27.75 0.16 Allowed Glycine 0 N--CA 1.493 2.495 0 N-CA-C 109.928 -1.269 . . . . 0.0 109.928 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' B' ' 63' ' ' ASP . 11.9 t0 -91.82 40.84 1.05 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.205 -1.174 . . . . 0.0 109.444 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . 0.472 ' O ' ' HG2' ' B' ' 28' ' ' LYS . . . -108.09 171.9 16.56 Favored Glycine 0 N--CA 1.488 2.146 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -106.51 128.59 54.22 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.175 -1.191 . . . . 0.0 109.739 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 86.8 m -105.76 171.49 7.31 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.187 -0.946 . . . . 0.0 109.501 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.442 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 1.5 m-20 -108.54 -177.37 3.3 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.194 -0.941 . . . . 0.0 109.457 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.579 ' CE1' ' HG3' ' B' ' 71' ' ' GLN . 6.5 p90 -79.64 -34.93 40.1 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.017 -1.052 . . . . 0.0 109.195 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . 0.579 ' HG3' ' CE1' ' B' ' 70' ' ' PHE . 1.1 mt-30 -78.63 -26.4 45.24 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.281 -0.887 . . . . 0.0 109.07 179.439 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.485 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 0.2 OUTLIER -78.19 -50.94 11.0 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.35 -0.844 . . . . 0.0 108.893 179.817 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.578 ' CD2' HD11 ' B' ' 32' ' ' LEU . 5.3 t80 -62.15 -22.2 65.67 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.305 -0.872 . . . . 0.0 108.886 179.439 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' MET . . . . . 0.506 ' HG3' ' CG2' ' A' ' 82' ' ' THR . 0.0 OUTLIER -80.27 -55.5 4.87 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.294 -0.879 . . . . 0.0 109.802 -179.723 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.499 ' O ' ' CG ' ' B' ' 79' ' ' MET . . . -66.26 -16.45 64.03 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.305 -0.872 . . . . 0.0 109.171 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.581 ' CZ ' ' HA ' ' B' ' 56' ' ' VAL . 0.1 OUTLIER -77.28 -39.18 49.02 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.386 -0.821 . . . . 0.0 109.262 179.495 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.469 ' O ' ' OG1' ' B' ' 81' ' ' THR . 84.3 t -70.64 -27.66 31.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.325 -0.859 . . . . 0.0 109.863 -179.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.454 ' O ' ' OG1' ' B' ' 82' ' ' THR . 77.1 p -76.97 -42.69 37.97 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.989 -1.069 . . . . 0.0 110.596 -179.307 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' MET . . . . . 0.499 ' CG ' ' O ' ' B' ' 75' ' ' ALA . 0.0 OUTLIER -57.76 -46.09 85.02 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.876 -1.14 . . . . 0.0 110.115 -179.507 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . 0.532 ' CG1' HG22 ' B' ' 56' ' ' VAL . 25.3 m -70.4 -44.97 76.85 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 O-C-N 121.222 -0.924 . . . . 0.0 110.675 -179.003 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.472 HG23 ' HG3' ' A' ' 7' ' ' MET . 1.9 m -66.63 -8.65 28.81 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.839 -1.163 . . . . 0.0 109.521 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.457 ' CG2' ' HG3' ' A' ' 74' ' ' MET . 59.9 p -129.74 13.6 5.88 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.142 -0.974 . . . . 0.0 109.326 179.699 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . 0.457 ' O ' ' HG3' ' B' ' 49' ' ' GLU . . . . . . . . 0 N--CA 1.489 1.496 0 O-C-N 121.3 -0.875 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.7 p . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.521 ' HB2' ' CG2' ' B' ' 13' ' ' VAL . 32.3 mm-40 -69.26 -38.72 78.56 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.266 -0.896 . . . . 0.0 109.677 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.508 ' CD1' HD22 ' B' ' 10' ' ' LEU . 7.6 tp -80.15 -50.05 10.82 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.337 -0.852 . . . . 0.0 109.979 -179.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.551 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 61.6 tt0 -57.37 -41.97 81.2 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.04 -1.038 . . . . 0.0 109.938 -179.395 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.451 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 8.6 tptt -78.39 -38.7 41.08 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.846 -1.159 . . . . 0.0 109.735 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.487 ' CB ' ' HB1' ' B' ' 9' ' ' ALA . . . -80.12 -70.44 0.52 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.167 -0.958 . . . . 0.0 109.727 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.465 ' HG2' HD13 ' B' ' 40' ' ' LEU . 8.3 tpt -40.58 -48.31 2.85 Favored 'General case' 0 N--CA 1.491 1.587 0 CA-C-O 121.664 0.745 . . . . 0.0 109.914 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.551 ' CG2' ' O ' ' A' ' 4' ' ' GLU . 21.2 t -70.55 -38.41 73.42 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.587 0 O-C-N 121.446 -0.784 . . . . 0.0 109.855 -179.257 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.508 ' HB1' ' CB ' ' B' ' 6' ' ' ALA . . . -53.24 -44.36 68.05 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.003 -1.061 . . . . 0.0 108.874 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.531 HD22 ' CD1' ' B' ' 3' ' ' LEU . 0.3 OUTLIER -54.31 -52.74 60.56 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 179.219 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.436 HD12 ' SD ' ' A' ' 74' ' ' MET . 31.9 mm -49.7 -34.18 8.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 179.099 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -61.99 -45.47 93.5 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.549 -0.719 . . . . 0.0 109.3 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.51 ' CG2' ' HB2' ' B' ' 2' ' ' GLU . 53.3 t -46.84 -37.3 3.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.157 -0.964 . . . . 0.0 109.108 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.568 ' CE2' ' HA ' ' A' ' 70' ' ' PHE . 2.1 t80 -62.67 -45.5 92.52 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.119 -0.988 . . . . 0.0 109.321 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 28.3 t60 -67.95 -7.1 25.82 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.304 -0.872 . . . . 0.0 109.559 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -93.03 -58.65 2.26 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.228 -0.92 . . . . 0.0 109.638 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -74.43 -60.88 2.07 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.179 -0.951 . . . . 0.0 109.583 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.8 t . . . . . 0 N--CA 1.491 1.624 0 O-C-N 121.211 -0.931 . . . . 0.0 109.543 -179.763 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.505 ' NE2' ' CE2' ' A' ' 70' ' ' PHE . 13.1 t-160 . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.426 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 9.4 ptmt -138.19 142.19 40.03 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.181 -0.949 . . . . 0.0 109.477 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.564 ' CD2' ' CZ ' ' A' ' 14' ' ' PHE . 0.4 OUTLIER -104.82 -165.54 1.14 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.248 -0.907 . . . . 0.0 109.479 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.522 ' CG ' ' O ' ' A' ' 66' ' ' GLY . 1.6 tttt -149.67 164.17 35.93 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.242 -0.911 . . . . 0.0 109.154 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.496 ' HB2' ' HA2' ' A' ' 64' ' ' GLY . 3.6 mttp -76.65 -27.81 55.78 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.178 -0.951 . . . . 0.0 109.01 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.2 p -75.18 -38.07 60.97 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.446 -0.784 . . . . 0.0 109.319 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.47 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 16.7 tt0 -85.86 -19.32 30.77 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.136 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.501 ' O ' HG13 ' A' ' 36' ' ' ILE . 11.1 tp -79.99 -31.82 39.78 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 107.416 -1.327 . . . . 0.0 107.416 178.522 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.453 ' HG2' HD11 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -65.87 -43.53 88.07 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 179.076 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.528 ' HG3' ' N ' ' A' ' 35' ' ' LEU . 6.1 pt-20 -70.32 -41.95 72.6 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 179.144 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.528 ' N ' ' HG3' ' A' ' 34' ' ' GLU . 0.1 OUTLIER -45.44 -43.22 11.21 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 179.524 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -79.43 -57.71 4.85 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.129 -0.982 . . . . 0.0 109.976 -179.816 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.467 ' O ' ' HB2' ' A' ' 41' ' ' SER . 15.9 t-20 -75.54 -61.26 1.97 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.318 -0.864 . . . . 0.0 110.474 -178.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.49 ' HB3' ' O ' ' A' ' 34' ' ' GLU . 2.1 t30 -50.91 -28.7 10.23 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.187 -0.946 . . . . 0.0 110.297 -178.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.498 ' HG2' ' HB3' ' B' ' 3' ' ' LEU . 0.0 OUTLIER -101.83 -70.89 0.73 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.859 -1.151 . . . . 0.0 110.188 -179.634 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.479 HD13 ' HG2' ' B' ' 7' ' ' MET . 84.0 mt -71.56 -99.5 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.101 -1.0 . . . . 0.0 110.025 -179.248 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.467 ' HB2' ' O ' ' A' ' 37' ' ' ASN . 7.1 t 57.98 16.25 3.62 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.888 -1.132 . . . . 0.0 109.656 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -85.89 -60.48 2.0 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.168 -0.958 . . . . 0.0 109.399 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.448 ' O ' ' O ' ' A' ' 44' ' ' LEU . 26.1 m-85 -62.35 -108.79 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.195 -0.941 . . . . 0.0 108.893 179.512 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.448 ' O ' ' O ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER 39.85 92.73 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.023 -1.048 . . . . 0.0 110.114 179.536 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -114.15 -80.04 0.59 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.267 -0.896 . . . . 0.0 108.918 179.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.483 ' O ' ' HG3' ' A' ' 46' ' ' GLU . 1.8 tt0 -110.13 -17.77 13.48 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.328 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.475 ' HB ' ' O ' ' A' ' 46' ' ' GLU . 16.1 mt 74.53 99.96 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.531 -0.731 . . . . 0.0 109.861 179.511 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -89.38 -44.41 10.21 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.328 -0.857 . . . . 0.0 108.801 179.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.536 ' HB3' ' CG2' ' A' ' 52' ' ' VAL . 6.8 mm-40 -83.67 69.32 10.13 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 179.378 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.49 ' O ' ' HB2' ' A' ' 54' ' ' ASP . 0.8 OUTLIER -51.04 -23.79 3.31 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.238 -0.914 . . . . 0.0 109.553 -179.673 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.462 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 2.5 tt0 -80.24 -36.32 34.83 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.133 -0.979 . . . . 0.0 110.121 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.536 ' CG2' ' HB3' ' A' ' 49' ' ' GLU . 33.4 t -72.05 -42.27 67.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.052 -1.03 . . . . 0.0 109.738 -179.621 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 86.6 t -78.9 -33.84 16.53 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.169 -0.957 . . . . 0.0 109.635 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.531 ' O ' ' CG ' ' A' ' 58' ' ' GLU . 49.3 m-20 -78.84 -20.67 49.07 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.03 -1.044 . . . . 0.0 108.68 179.514 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.462 ' HB2' ' O ' ' A' ' 51' ' ' GLU . 23.9 tptp -80.53 -48.2 13.11 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.33 -0.856 . . . . 0.0 109.776 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.552 HG11 ' CE2' ' A' ' 76' ' ' PHE . 6.1 m -74.87 -37.89 42.75 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 O-C-N 121.015 -1.053 . . . . 0.0 109.391 -179.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 51.8 tpp -73.02 -23.13 60.57 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.465 -0.772 . . . . 0.0 109.288 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.531 ' CG ' ' O ' ' A' ' 54' ' ' ASP . 22.7 mt-10 -77.76 -47.1 19.81 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.927 -1.108 . . . . 0.0 108.885 179.448 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.2 m -66.57 -21.27 66.14 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 178.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.459 HD21 ' O ' ' A' ' 29' ' ' LYS . 12.4 mt -74.77 -58.84 3.03 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-O 121.627 0.727 . . . . 0.0 109.063 179.457 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.12 -4.83 46.46 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.544 -0.723 . . . . 0.0 109.527 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.45 ' CB ' ' O ' ' A' ' 58' ' ' GLU . 52.9 tt0 -80.41 -54.5 5.65 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.224 -0.922 . . . . 0.0 109.598 -179.72 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.486 ' O ' ' N ' ' A' ' 65' ' ' ASP . 1.1 t0 -128.03 47.59 2.39 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.434 -0.792 . . . . 0.0 109.965 -179.583 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.496 ' HA2' ' HB2' ' A' ' 29' ' ' LYS . . . -39.45 -29.26 0.13 Allowed Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.486 ' N ' ' O ' ' A' ' 63' ' ' ASP . 27.6 t70 -92.93 42.51 1.1 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.334 -1.098 . . . . 0.0 109.44 179.559 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.522 ' O ' ' CG ' ' A' ' 28' ' ' LYS . . . -120.4 175.29 15.93 Favored Glycine 0 N--CA 1.489 2.173 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -115.2 152.88 31.85 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.053 -1.263 . . . . 0.0 110.146 -179.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.92 -171.5 2.59 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.467 -0.771 . . . . 0.0 109.241 179.656 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -122.08 174.59 6.84 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.189 -0.944 . . . . 0.0 109.351 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.568 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 6.9 p90 -72.14 -32.14 66.64 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.293 -0.879 . . . . 0.0 109.272 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.502 ' HG3' ' N ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -80.09 -29.81 39.12 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.161 -0.962 . . . . 0.0 109.152 179.804 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.502 ' N ' ' HG3' ' A' ' 71' ' ' GLN . 0.6 OUTLIER -72.22 -58.54 3.33 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.275 -0.891 . . . . 0.0 108.665 179.491 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.406 ' CE1' ' HD2' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -57.55 -25.05 59.36 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 179.141 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.465 ' HE2' ' HB3' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -69.11 -54.74 13.44 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.591 -0.693 . . . . 0.0 109.531 -179.841 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.45 ' O ' ' HG3' ' A' ' 79' ' ' MET . . . -69.18 -16.08 63.55 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.331 -0.856 . . . . 0.0 109.096 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.552 ' CE2' HG11 ' A' ' 56' ' ' VAL . 1.4 m-85 -79.85 -37.81 34.15 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.408 -0.807 . . . . 0.0 109.225 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.479 ' O ' ' OG1' ' A' ' 81' ' ' THR . 69.6 t -72.8 -26.27 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.437 -0.79 . . . . 0.0 110.03 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 21.8 m -77.95 -49.88 13.27 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.215 -0.928 . . . . 0.0 110.572 -179.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.45 ' HB3' ' CG1' ' A' ' 52' ' ' VAL . 0.5 OUTLIER -54.53 -46.64 73.6 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.011 -1.056 . . . . 0.0 110.545 -179.086 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 76' ' ' PHE . 3.3 m -63.01 -40.29 88.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.053 -1.029 . . . . 0.0 110.315 -179.111 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.479 ' OG1' ' O ' ' A' ' 77' ' ' VAL . 0.2 OUTLIER -69.42 -10.12 56.59 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.927 -1.108 . . . . 0.0 109.419 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -113.0 -0.11 14.87 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.228 -0.92 . . . . 0.0 109.653 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.406 ' HB3' ' HB ' ' A' ' 52' ' ' VAL . . . . . . . . 0 N--CA 1.491 1.611 0 O-C-N 121.172 -0.955 . . . . 0.0 109.629 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 3.7 p . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.51 ' HB2' ' CG2' ' A' ' 13' ' ' VAL . 32.5 mm-40 -69.32 -38.75 78.35 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.345 -0.847 . . . . 0.0 109.631 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.531 ' CD1' HD22 ' A' ' 10' ' ' LEU . 7.6 tp -80.09 -50.07 10.85 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.34 -0.85 . . . . 0.0 109.967 -179.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . 0.549 ' O ' ' CG2' ' B' ' 8' ' ' VAL . 61.4 tt0 -57.35 -42.01 81.19 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.066 -1.021 . . . . 0.0 109.905 -179.42 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.447 ' O ' ' HB3' ' B' ' 9' ' ' ALA . 8.7 tptt -78.48 -38.46 40.9 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.77 -1.206 . . . . 0.0 109.763 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . 0.508 ' CB ' ' HB1' ' A' ' 9' ' ' ALA . . . -80.29 -70.46 0.52 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.31 -0.869 . . . . 0.0 109.684 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' MET . . . . . 0.479 ' HG2' HD13 ' A' ' 40' ' ' LEU . 8.2 tpt -40.56 -48.33 2.83 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 121.705 0.765 . . . . 0.0 109.891 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . 0.549 ' CG2' ' O ' ' B' ' 4' ' ' GLU . 21.0 t -70.47 -38.53 74.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.592 0 O-C-N 121.31 -0.869 . . . . 0.0 109.957 -179.369 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . 0.487 ' HB1' ' CB ' ' A' ' 6' ' ' ALA . . . -53.11 -44.34 67.57 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.968 -1.083 . . . . 0.0 108.927 179.591 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.508 HD22 ' CD1' ' A' ' 3' ' ' LEU . 0.3 OUTLIER -54.36 -52.8 60.49 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 179.209 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.445 HD12 ' SD ' ' B' ' 74' ' ' MET . 32.3 mm -49.61 -34.26 8.46 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 179.047 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -62.0 -45.35 94.01 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.398 -0.814 . . . . 0.0 109.335 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . 0.521 ' CG2' ' HB2' ' A' ' 2' ' ' GLU . 53.7 t -46.92 -37.35 3.65 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.223 -0.923 . . . . 0.0 109.009 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.568 ' CE2' ' HA ' ' B' ' 70' ' ' PHE . 2.1 t80 -62.53 -45.57 92.35 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.235 -0.916 . . . . 0.0 109.358 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 28.4 t60 -67.94 -7.22 26.7 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.249 -0.907 . . . . 0.0 109.568 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -92.88 -58.62 2.28 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.314 -0.866 . . . . 0.0 109.707 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -74.51 -60.86 2.08 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.274 -0.891 . . . . 0.0 109.53 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 3.8 t . . . . . 0 N--CA 1.49 1.541 0 O-C-N 121.363 -0.836 . . . . 0.0 109.682 -179.814 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . 0.515 ' NE2' ' CE2' ' B' ' 70' ' ' PHE . 13.1 t-160 . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 121.208 0.528 . . . . 0.0 109.601 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.435 ' O ' ' HG3' ' B' ' 26' ' ' LYS . 9.5 ptmt -138.14 142.22 40.14 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.228 -0.92 . . . . 0.0 109.464 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.557 ' CD2' ' CZ ' ' B' ' 14' ' ' PHE . 0.4 OUTLIER -104.85 -165.62 1.15 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.204 -0.935 . . . . 0.0 109.455 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.524 ' CG ' ' O ' ' B' ' 66' ' ' GLY . 1.6 tttt -149.53 164.18 35.76 Favored 'General case' 0 N--CA 1.486 1.336 0 O-C-N 121.304 -0.873 . . . . 0.0 109.109 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.493 ' HB2' ' HA2' ' B' ' 64' ' ' GLY . 3.6 mttp -76.73 -27.74 55.54 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.128 -0.982 . . . . 0.0 108.957 179.682 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 6.2 p -75.13 -38.21 61.11 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.269 -0.894 . . . . 0.0 109.363 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.479 ' O ' ' HG2' ' B' ' 34' ' ' GLU . 16.6 tt0 -85.82 -19.27 30.92 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.169 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.506 ' O ' HG13 ' B' ' 36' ' ' ILE . 11.0 tp -79.97 -31.94 39.85 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 107.295 -1.372 . . . . 0.0 107.295 178.571 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.436 ' HG2' HD11 ' B' ' 60' ' ' LEU . 0.4 OUTLIER -65.88 -43.5 88.11 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.104 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.519 ' HG3' ' N ' ' B' ' 35' ' ' LEU . 6.1 pt-20 -70.45 -41.91 72.18 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 107.918 -1.142 . . . . 0.0 107.918 179.267 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.519 ' N ' ' HG3' ' B' ' 34' ' ' GLU . 0.1 OUTLIER -45.5 -43.22 11.5 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.49 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.506 HG13 ' O ' ' B' ' 32' ' ' LEU . 0.4 OUTLIER -79.36 -57.92 4.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.169 -0.957 . . . . 0.0 109.958 -179.862 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.468 ' O ' ' HB2' ' B' ' 41' ' ' SER . 15.7 t-20 -75.4 -61.27 1.96 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.285 -0.885 . . . . 0.0 110.623 -179.006 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.481 ' N ' ' O ' ' B' ' 34' ' ' GLU . 2.1 t30 -50.89 -28.63 10.02 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.117 -0.989 . . . . 0.0 110.303 -178.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.473 ' HG2' ' HB3' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -101.94 -70.84 0.74 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.944 -1.098 . . . . 0.0 110.21 -179.637 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.465 HD13 ' HG2' ' A' ' 7' ' ' MET . 83.7 mt -71.5 -99.62 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.134 -0.979 . . . . 0.0 109.967 -179.308 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.468 ' HB2' ' O ' ' B' ' 37' ' ' ASN . 7.2 t 58.01 16.27 3.66 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.997 -1.064 . . . . 0.0 109.692 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -86.05 -60.38 2.03 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.141 -0.974 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . 0.452 ' O ' ' O ' ' B' ' 44' ' ' LEU . 26.0 m-85 -62.35 -108.84 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.147 -0.97 . . . . 0.0 108.928 179.507 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.452 ' O ' ' O ' ' B' ' 43' ' ' PHE . 0.1 OUTLIER 39.86 92.66 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.085 -1.01 . . . . 0.0 110.225 179.52 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -114.15 -80.07 0.59 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.257 -0.902 . . . . 0.0 108.883 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . 0.49 ' O ' ' HG3' ' B' ' 46' ' ' GLU . 1.8 tt0 -110.18 -17.82 13.45 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 179.347 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.477 ' HB ' ' O ' ' B' ' 46' ' ' GLU . 16.0 mt 74.54 100.04 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.478 -0.764 . . . . 0.0 109.888 179.485 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -89.45 -44.48 10.12 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.295 -0.878 . . . . 0.0 108.777 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.534 ' HB3' ' CG2' ' B' ' 52' ' ' VAL . 6.8 mm-40 -83.67 69.36 10.14 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 179.392 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . 0.488 ' O ' ' HB2' ' B' ' 54' ' ' ASP . 0.8 OUTLIER -51.01 -23.84 3.28 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.337 -0.852 . . . . 0.0 109.539 -179.687 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.47 ' O ' ' HB2' ' B' ' 55' ' ' LYS . 2.5 tt0 -80.11 -36.46 35.36 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.298 -0.876 . . . . 0.0 110.051 -179.549 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . 0.534 ' CG2' ' HB3' ' B' ' 49' ' ' GLU . 33.0 t -72.08 -42.24 67.65 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.461 0 O-C-N 121.055 -1.028 . . . . 0.0 109.729 -179.505 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 87.2 t -78.85 -33.85 16.65 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.129 -0.982 . . . . 0.0 109.68 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . 0.535 ' O ' ' CG ' ' B' ' 58' ' ' GLU . 49.4 m-20 -78.8 -20.87 48.75 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.121 -0.987 . . . . 0.0 108.691 179.512 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . 0.47 ' HB2' ' O ' ' B' ' 51' ' ' GLU . 23.9 tptp -80.32 -48.27 13.24 Favored 'General case' 0 N--CA 1.485 1.324 0 O-C-N 121.28 -0.888 . . . . 0.0 109.773 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.557 HG11 ' CE2' ' B' ' 76' ' ' PHE . 6.1 m -74.88 -37.85 42.59 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.363 0 O-C-N 120.999 -1.063 . . . . 0.0 109.431 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 52.1 tpp -73.11 -23.1 60.46 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.471 -0.768 . . . . 0.0 109.203 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . 0.535 ' CG ' ' O ' ' B' ' 54' ' ' ASP . 22.7 mt-10 -77.72 -47.2 19.67 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 119.218 -0.993 . . . . 0.0 108.895 179.437 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 4.2 m -66.47 -21.21 66.19 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 178.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.451 HD21 ' O ' ' B' ' 29' ' ' LYS . 12.4 mt -74.74 -58.98 2.94 Favored 'General case' 0 N--CA 1.487 1.424 0 CA-C-O 121.671 0.748 . . . . 0.0 109.101 179.414 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.02 -4.89 46.5 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.609 -0.682 . . . . 0.0 109.476 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.447 ' CB ' ' O ' ' B' ' 58' ' ' GLU . 52.9 tt0 -80.27 -54.51 5.66 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.286 -0.884 . . . . 0.0 109.689 -179.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' B' ' 65' ' ' ASP . 1.1 t0 -127.99 47.57 2.39 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.415 -0.803 . . . . 0.0 109.996 -179.661 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . 0.493 ' HA2' ' HB2' ' B' ' 29' ' ' LYS . . . -39.35 -29.31 0.12 Allowed Glycine 0 N--CA 1.492 2.42 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 179.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' B' ' 63' ' ' ASP . 27.6 t70 -92.97 42.46 1.1 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.343 -1.092 . . . . 0.0 109.396 179.587 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . 0.524 ' O ' ' CG ' ' B' ' 28' ' ' LYS . . . -120.44 175.32 15.94 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -115.25 152.89 31.89 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.15 -1.206 . . . . 0.0 110.121 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.94 -171.52 2.59 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.382 -0.824 . . . . 0.0 109.189 179.697 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -121.99 174.56 6.83 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.183 -0.948 . . . . 0.0 109.238 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.568 ' HA ' ' CE2' ' B' ' 14' ' ' PHE . 6.8 p90 -72.22 -32.19 66.52 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.206 -0.934 . . . . 0.0 109.207 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . 0.502 ' HG3' ' N ' ' B' ' 72' ' ' GLU . 0.0 OUTLIER -79.87 -29.8 40.07 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.194 -0.941 . . . . 0.0 109.246 179.703 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.502 ' N ' ' HG3' ' B' ' 71' ' ' GLN . 0.6 OUTLIER -72.32 -58.44 3.4 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.299 -0.875 . . . . 0.0 108.728 179.508 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.408 ' CE1' ' HD2' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -57.58 -24.99 59.29 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 179.134 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' MET . . . . . 0.479 ' HE2' ' HB3' ' B' ' 10' ' ' LEU . 0.0 OUTLIER -69.22 -54.7 13.41 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.561 -0.712 . . . . 0.0 109.576 -179.809 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.444 ' O ' ' HG3' ' B' ' 79' ' ' MET . . . -69.15 -15.95 63.53 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.252 -0.905 . . . . 0.0 109.018 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.557 ' CE2' HG11 ' B' ' 56' ' ' VAL . 1.4 m-85 -80.0 -37.8 33.45 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.427 -0.796 . . . . 0.0 109.256 179.759 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.484 ' O ' ' OG1' ' B' ' 81' ' ' THR . 68.5 t -72.77 -26.25 23.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.384 -0.823 . . . . 0.0 109.905 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 21.5 m -77.97 -50.04 12.92 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.205 -0.935 . . . . 0.0 110.622 -179.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' MET . . . . . 0.448 ' HB3' ' CG1' ' B' ' 52' ' ' VAL . 0.5 OUTLIER -54.42 -46.47 73.19 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.067 -1.02 . . . . 0.0 110.552 -179.12 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . 0.478 HG23 ' O ' ' B' ' 76' ' ' PHE . 3.3 m -63.03 -40.46 89.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.104 -0.998 . . . . 0.0 110.38 -179.15 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.484 ' OG1' ' O ' ' B' ' 77' ' ' VAL . 0.2 OUTLIER -69.43 -10.07 56.38 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.911 -1.118 . . . . 0.0 109.356 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -113.03 -0.06 14.86 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.241 -0.912 . . . . 0.0 109.606 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . 0.413 ' HB3' ' HB ' ' B' ' 52' ' ' VAL . . . . . . . . 0 N--CA 1.489 1.522 0 O-C-N 121.136 -0.978 . . . . 0.0 109.61 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' SER . . . . . 0.473 ' OG ' ' HB3' ' A' ' 4' ' ' GLU . 93.4 p . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 121.373 0.606 . . . . 0.0 109.69 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.566 ' HB2' ' CG2' ' B' ' 13' ' ' VAL . 46.6 mm-40 -80.44 -36.0 34.22 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.417 -0.802 . . . . 0.0 109.703 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.483 ' O ' ' HB3' ' A' ' 7' ' ' MET . 7.0 tp -76.84 -49.39 15.86 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.349 -0.844 . . . . 0.0 110.425 -178.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.539 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 2.6 tm-20 -57.76 -37.32 73.43 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 120.915 -1.115 . . . . 0.0 110.409 -178.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.78 -53.62 6.34 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.823 -1.173 . . . . 0.0 110.471 -179.213 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.45 ' HB3' ' HB2' ' B' ' 9' ' ' ALA . . . -67.11 -58.11 5.5 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.156 -0.965 . . . . 0.0 110.42 -179.032 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.51 ' CE ' ' HA ' ' B' ' 78' ' ' SER . 11.3 tpt -51.02 -55.7 16.15 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.334 -0.854 . . . . 0.0 110.112 -179.254 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.539 ' CG2' ' O ' ' A' ' 4' ' ' GLU . 21.6 t -61.29 -30.46 47.97 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.579 0 O-C-N 121.337 -0.852 . . . . 0.0 109.904 -179.175 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.443 ' HB2' ' HB3' ' B' ' 6' ' ' ALA . . . -61.09 -45.78 93.3 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.999 -1.063 . . . . 0.0 108.88 179.49 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.458 HD13 ' HA ' ' B' ' 7' ' ' MET . 0.2 OUTLIER -51.65 -41.0 61.01 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.304 -0.873 . . . . 0.0 108.691 179.589 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.538 ' CD1' ' N ' ' A' ' 11' ' ' ILE . 1.5 mp -58.22 -41.21 80.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 179.229 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -53.45 -53.05 56.94 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.415 -0.803 . . . . 0.0 109.036 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.562 ' CG2' ' HB2' ' B' ' 2' ' ' GLU . 52.9 t -45.76 -35.36 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.351 -0.843 . . . . 0.0 109.4 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.595 ' CE2' ' HA ' ' A' ' 70' ' ' PHE . 20.2 t80 -60.14 -50.27 74.35 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.246 -0.909 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -77.4 1.65 18.4 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.216 -0.928 . . . . 0.0 109.458 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.439 ' HB2' ' HA ' ' A' ' 13' ' ' VAL . 2.9 tp60 -76.41 -51.38 11.95 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 179.42 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.577 ' CZ ' HD23 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -137.43 67.01 1.44 Allowed 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.432 -0.792 . . . . 0.0 109.572 179.109 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.3 t . . . . . 0 N--CA 1.491 1.591 0 O-C-N 121.252 -0.905 . . . . 0.0 108.999 179.717 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.629 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 9.0 t-80 . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.523 0.678 . . . . 0.0 109.733 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.429 ' O ' HD21 ' A' ' 27' ' ' LEU . 7.8 mttt -140.03 168.95 18.63 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.575 -1.328 . . . . 0.0 109.906 179.434 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.572 HD21 ' CZ ' ' A' ' 14' ' ' PHE . 0.6 OUTLIER -131.91 -165.18 1.55 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.465 -0.772 . . . . 0.0 109.098 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.429 ' HA ' ' O ' ' A' ' 66' ' ' GLY . 0.0 OUTLIER -150.02 169.89 20.15 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.205 -0.935 . . . . 0.0 109.78 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.485 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 6.4 mmtt -79.58 -25.78 41.46 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.346 -0.846 . . . . 0.0 109.327 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.01 -38.06 32.87 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.256 -0.903 . . . . 0.0 109.505 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.469 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 10.6 tt0 -83.76 -20.07 34.0 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 179.284 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.498 ' O ' HG13 ' A' ' 36' ' ' ILE . 24.9 tp -80.98 -37.98 28.38 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 178.581 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.485 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 3.0 tttt -64.33 -34.24 77.68 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 179.443 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.513 ' CG ' ' N ' ' A' ' 35' ' ' LEU . 8.5 pt-20 -80.25 -42.24 23.55 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 179.511 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.584 ' HG ' ' CE1' ' A' ' 73' ' ' PHE . 0.1 OUTLIER -45.16 -50.83 11.09 Favored 'General case' 0 C--N 1.295 -1.798 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 179.687 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.592 ' CG2' ' CG2' ' A' ' 80' ' ' VAL . 0.2 OUTLIER -78.8 -49.86 19.7 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 O-C-N 121.412 -0.805 . . . . 0.0 109.915 -179.735 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.554 ' O ' ' CB ' ' A' ' 41' ' ' SER . 15.6 t-20 -72.61 -68.26 0.49 Allowed 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.299 -0.876 . . . . 0.0 110.085 -179.21 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.513 ' HB3' ' O ' ' A' ' 34' ' ' GLU . 0.7 OUTLIER -43.89 -23.2 0.08 Allowed 'General case' 0 C--N 1.3 -1.585 0 O-C-N 120.919 -1.113 . . . . 0.0 110.334 -179.478 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.47 ' HB2' ' O ' ' A' ' 35' ' ' LEU . 18.4 mm-40 -109.11 -76.39 0.61 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.722 -1.236 . . . . 0.0 111.72 -178.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.539 HD13 ' CG1' ' A' ' 77' ' ' VAL . 4.5 mt -66.85 -12.48 59.29 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.921 -1.112 . . . . 0.0 112.041 -177.627 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.554 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 47.2 t -55.92 -40.42 73.06 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.543 -1.348 . . . . 0.0 109.917 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.2 m170 -61.1 -28.28 68.97 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.042 -1.036 . . . . 0.0 109.8 -179.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.56 ' O ' ' CG ' ' A' ' 43' ' ' PHE . 18.1 t80 -102.79 1.85 34.76 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.286 -0.884 . . . . 0.0 109.897 -179.532 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.2 tt -113.57 128.56 56.48 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.07 -1.019 . . . . 0.0 109.757 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -165.73 24.42 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.303 -0.873 . . . . 0.0 109.676 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.458 ' OE1' ' HA ' ' A' ' 46' ' ' GLU . 5.1 mm-40 -133.82 -54.15 0.87 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.265 -0.897 . . . . 0.0 108.884 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.475 ' HA ' ' O ' ' A' ' 83' ' ' ALA . 5.9 mt 54.06 96.43 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.335 -0.853 . . . . 0.0 109.83 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.26 -33.17 12.67 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.176 -0.952 . . . . 0.0 109.018 179.403 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.44 ' HB3' ' HB ' ' A' ' 52' ' ' VAL . 2.7 mm-40 -89.11 68.48 8.23 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.289 -0.882 . . . . 0.0 109.195 179.661 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.529 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 3.6 tp60 -43.78 -26.74 0.27 Allowed 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.247 -0.908 . . . . 0.0 109.536 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 49' ' ' GLU . 4.6 tt0 -76.13 -44.87 36.45 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.202 -0.936 . . . . 0.0 109.823 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.44 ' HB ' ' HB3' ' A' ' 49' ' ' GLU . 96.9 t -61.19 -55.25 25.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.225 -0.922 . . . . 0.0 109.736 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.425 HG23 HG12 ' A' ' 47' ' ' ILE . 74.5 t -66.88 -29.16 45.38 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.242 -0.911 . . . . 0.0 109.782 -179.645 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.529 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 14.2 t70 -75.89 -21.89 56.67 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.085 -1.009 . . . . 0.0 109.154 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -81.16 -51.64 8.22 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.134 -0.979 . . . . 0.0 109.649 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.579 ' HA ' ' CE2' ' A' ' 76' ' ' PHE . 35.8 m -69.17 -47.08 76.44 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.302 0 O-C-N 121.068 -1.02 . . . . 0.0 108.756 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.461 ' N ' HG22 ' A' ' 56' ' ' VAL . 28.8 tpp -62.95 -20.03 64.84 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 178.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.521 ' CG ' ' O ' ' A' ' 54' ' ' ASP . 2.7 mt-10 -72.46 -57.56 4.07 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.494 -0.754 . . . . 0.0 109.588 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.45 ' O ' ' HB3' ' A' ' 62' ' ' GLU . 0.2 OUTLIER -58.87 -38.71 79.42 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.465 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.46 HD11 ' HG3' ' A' ' 33' ' ' LYS . 12.0 mt -55.06 -55.38 31.67 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 179.239 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.81 -2.04 45.54 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.466 -0.771 . . . . 0.0 109.386 179.594 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.45 ' HB3' ' O ' ' A' ' 59' ' ' THR . 40.1 tt0 -68.2 -32.37 72.54 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.129 -0.982 . . . . 0.0 109.178 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -150.51 -48.66 0.13 Allowed 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.33 -0.857 . . . . 0.0 109.637 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.436 ' C ' ' HB2' ' A' ' 29' ' ' LYS . . . 88.23 -19.3 36.01 Favored Glycine 0 N--CA 1.489 2.224 0 N-CA-C 109.463 -1.455 . . . . 0.0 109.463 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -121.54 83.41 2.08 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.351 -1.088 . . . . 0.0 109.346 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.429 ' O ' ' HA ' ' A' ' 28' ' ' LYS . . . -143.39 -177.36 18.27 Favored Glycine 0 N--CA 1.488 2.111 0 N-CA-C 109.531 -1.428 . . . . 0.0 109.531 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -121.86 127.47 50.54 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.311 -1.111 . . . . 0.0 109.46 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 49.5 m -109.78 168.45 9.41 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.284 -0.885 . . . . 0.0 109.848 -179.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -99.25 -170.35 1.9 Allowed 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.232 -0.917 . . . . 0.0 109.001 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.595 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 3.4 p90 -84.47 -36.81 22.02 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.105 -0.997 . . . . 0.0 109.593 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.592 ' HG2' ' CD2' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -81.12 -13.78 58.34 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.867 -1.146 . . . . 0.0 108.978 179.077 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.463 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 1.5 mm-40 -78.35 -48.4 15.66 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.313 -0.867 . . . . 0.0 108.701 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.584 ' CE1' ' HG ' ' A' ' 35' ' ' LEU . 0.3 OUTLIER -68.73 -29.97 68.5 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.276 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.409 ' HE1' ' CD1' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -74.15 -45.78 46.55 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.366 -0.834 . . . . 0.0 109.528 -179.761 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.532 ' O ' ' CG ' ' A' ' 79' ' ' MET . . . -72.03 -18.39 61.96 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.416 -0.803 . . . . 0.0 108.957 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.579 ' CE2' ' HA ' ' A' ' 56' ' ' VAL . 0.2 OUTLIER -80.06 -37.94 32.86 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.421 -0.8 . . . . 0.0 109.609 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.539 ' CG1' HD13 ' A' ' 40' ' ' LEU . 98.6 t -70.19 -27.0 30.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.224 -0.923 . . . . 0.0 109.51 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.536 ' O ' ' CG2' ' A' ' 82' ' ' THR . 15.8 m -76.05 -26.09 56.24 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.188 -0.945 . . . . 0.0 109.671 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.532 ' CG ' ' O ' ' A' ' 75' ' ' ALA . 5.2 mtp -69.44 -50.61 44.09 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.276 -0.89 . . . . 0.0 109.142 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.592 ' CG2' ' CG2' ' A' ' 36' ' ' ILE . 12.0 m -70.54 -40.97 77.92 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.361 0 O-C-N 121.386 -0.822 . . . . 0.0 109.95 -179.614 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.507 ' OG1' ' CD1' ' A' ' 40' ' ' LEU . 22.1 m -67.43 -9.99 47.08 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.132 -0.98 . . . . 0.0 109.046 179.343 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.536 ' CG2' ' O ' ' A' ' 78' ' ' SER . 74.2 p -115.12 -11.79 12.0 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.376 -0.828 . . . . 0.0 109.353 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.475 ' O ' ' HA ' ' A' ' 47' ' ' ILE . . . . . . . . 0 N--CA 1.489 1.481 0 O-C-N 121.322 -0.861 . . . . 0.0 109.337 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 1' ' ' SER . . . . . 0.475 ' OG ' ' HB3' ' B' ' 4' ' ' GLU . 93.4 p . . . . . 0 N--CA 1.49 1.56 0 CA-C-O 121.378 0.608 . . . . 0.0 109.643 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.562 ' HB2' ' CG2' ' A' ' 13' ' ' VAL . 46.3 mm-40 -80.44 -36.01 34.2 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.399 -0.813 . . . . 0.0 109.792 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.49 ' O ' ' HB3' ' B' ' 7' ' ' MET . 7.0 tp -76.78 -49.41 15.97 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.371 -0.831 . . . . 0.0 110.416 -179.008 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . 0.542 ' O ' ' CG2' ' B' ' 8' ' ' VAL . 2.6 tm-20 -57.74 -37.36 73.45 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 120.923 -1.111 . . . . 0.0 110.462 -178.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.75 -53.64 6.33 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.863 -1.148 . . . . 0.0 110.462 -179.247 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . 0.443 ' HB3' ' HB2' ' A' ' 9' ' ' ALA . . . -67.04 -58.21 5.36 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.078 -1.014 . . . . 0.0 110.487 -179.023 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' MET . . . . . 0.51 ' CE ' ' HA ' ' A' ' 78' ' ' SER . 11.4 tpt -50.89 -55.71 15.78 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.282 -0.887 . . . . 0.0 110.124 -179.312 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . 0.542 ' CG2' ' O ' ' B' ' 4' ' ' GLU . 21.6 t -61.32 -30.47 48.01 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 O-C-N 121.319 -0.863 . . . . 0.0 110.0 -179.195 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . 0.45 ' HB2' ' HB3' ' A' ' 6' ' ' ALA . . . -61.16 -45.73 93.45 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.888 -1.132 . . . . 0.0 108.934 179.414 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.466 HD13 ' HA ' ' A' ' 7' ' ' MET . 0.2 OUTLIER -51.58 -41.11 60.93 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.272 -0.892 . . . . 0.0 108.628 179.514 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.544 ' CD1' ' N ' ' B' ' 11' ' ' ILE . 1.5 mp -58.04 -41.41 80.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 N-CA-C 108.555 -0.905 . . . . 0.0 108.555 179.158 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -53.3 -53.01 57.12 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.471 -0.768 . . . . 0.0 109.066 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . 0.566 ' CG2' ' HB2' ' A' ' 2' ' ' GLU . 53.2 t -45.83 -35.4 2.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.339 -0.851 . . . . 0.0 109.399 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.592 ' CE2' ' HA ' ' B' ' 70' ' ' PHE . 20.3 t80 -60.11 -50.3 74.25 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.196 -0.94 . . . . 0.0 109.223 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -77.31 1.54 18.46 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.345 -0.847 . . . . 0.0 109.543 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.431 ' HB2' ' HA ' ' B' ' 13' ' ' VAL . 2.9 tp60 -76.4 -51.29 12.15 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 179.383 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.581 ' CZ ' HD23 ' B' ' 35' ' ' LEU . 0.1 OUTLIER -137.42 66.94 1.44 Allowed 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.433 -0.792 . . . . 0.0 109.506 179.177 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 8.4 t . . . . . 0 N--CA 1.491 1.585 0 O-C-N 121.391 -0.818 . . . . 0.0 109.047 179.654 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . 0.629 ' CG ' ' O ' ' B' ' 25' ' ' HIS . 9.0 t-80 . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.49 0.662 . . . . 0.0 109.723 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.427 ' O ' HD21 ' B' ' 27' ' ' LEU . 7.7 mttt -140.02 168.98 18.56 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.539 -1.35 . . . . 0.0 109.95 179.434 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.563 HD21 ' CZ ' ' B' ' 14' ' ' PHE . 0.6 OUTLIER -131.96 -165.2 1.55 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.491 -0.756 . . . . 0.0 109.153 179.891 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.43 ' HA ' ' O ' ' B' ' 66' ' ' GLY . 0.0 OUTLIER -149.99 169.97 19.94 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.113 -0.992 . . . . 0.0 109.788 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.477 ' O ' ' HB2' ' B' ' 33' ' ' LYS . 6.4 mmtt -79.66 -25.74 41.22 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.275 -0.891 . . . . 0.0 109.254 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.96 -38.15 32.88 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.362 -0.836 . . . . 0.0 109.519 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.474 ' O ' ' HG2' ' B' ' 34' ' ' GLU . 10.6 tt0 -83.75 -19.97 34.2 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 179.335 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.491 ' O ' HG13 ' B' ' 36' ' ' ILE . 24.7 tp -81.08 -38.02 28.01 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 178.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.477 ' HB2' ' O ' ' B' ' 29' ' ' LYS . 3.1 tttt -64.21 -34.19 77.53 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 179.5 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.526 ' HG3' ' N ' ' B' ' 35' ' ' LEU . 8.4 pt-20 -80.35 -42.32 23.13 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 179.561 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.581 HD23 ' CZ ' ' B' ' 17' ' ' TYR . 0.1 OUTLIER -45.05 -50.78 10.67 Favored 'General case' 0 C--N 1.295 -1.792 0 CA-C-O 121.432 0.634 . . . . 0.0 109.303 179.603 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.579 ' CG2' ' CG2' ' B' ' 80' ' ' VAL . 0.2 OUTLIER -78.88 -49.77 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.308 -0.87 . . . . 0.0 109.961 -179.764 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.557 ' O ' ' CB ' ' B' ' 41' ' ' SER . 15.7 t-20 -72.65 -68.39 0.48 Allowed 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.317 -0.865 . . . . 0.0 109.901 -179.167 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.51 ' HB3' ' O ' ' B' ' 34' ' ' GLU . 0.7 OUTLIER -43.8 -23.13 0.07 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.81 -1.181 . . . . 0.0 110.447 -179.46 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.472 ' HB2' ' O ' ' B' ' 35' ' ' LEU . 18.3 mm-40 -109.2 -76.37 0.61 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.735 -1.228 . . . . 0.0 111.709 -178.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.537 HD13 ' CG1' ' B' ' 77' ' ' VAL . 4.5 mt -66.89 -12.52 59.62 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.904 -1.122 . . . . 0.0 112.027 -177.606 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.557 ' CB ' ' O ' ' B' ' 37' ' ' ASN . 46.9 t -55.91 -40.38 72.98 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.652 -1.28 . . . . 0.0 109.881 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 1.3 m170 -61.1 -28.34 69.02 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.147 -0.971 . . . . 0.0 109.852 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . 0.565 ' O ' ' CG ' ' B' ' 43' ' ' PHE . 18.1 t80 -102.76 1.79 34.76 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.247 -0.908 . . . . 0.0 109.948 -179.457 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.2 tt -113.53 128.61 56.5 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.169 -0.957 . . . . 0.0 109.868 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -165.78 24.54 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.27 -0.894 . . . . 0.0 109.645 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . 0.455 ' OE1' ' HA ' ' B' ' 46' ' ' GLU . 5.1 mm-40 -133.78 -53.96 0.87 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.208 -0.932 . . . . 0.0 109.016 179.729 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.479 ' HA ' ' O ' ' B' ' 83' ' ' ALA . 5.9 mt 53.92 96.38 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 O-C-N 121.361 -0.837 . . . . 0.0 109.92 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.26 -33.09 12.7 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.293 -0.879 . . . . 0.0 108.994 179.484 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.454 ' HB3' ' HB ' ' B' ' 52' ' ' VAL . 2.7 mm-40 -89.17 68.59 8.18 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.33 -0.856 . . . . 0.0 109.123 179.693 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . 0.521 ' O ' ' CB ' ' B' ' 54' ' ' ASP . 3.6 tp60 -43.87 -26.65 0.28 Allowed 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.31 -0.869 . . . . 0.0 109.626 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' B' ' 49' ' ' GLU . 4.6 tt0 -76.14 -44.92 36.08 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.283 -0.886 . . . . 0.0 109.73 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . 0.454 ' HB ' ' HB3' ' B' ' 49' ' ' GLU . 96.9 t -61.22 -55.24 25.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.133 -0.979 . . . . 0.0 109.707 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.42 HG23 HG12 ' B' ' 47' ' ' ILE . 75.1 t -66.94 -29.17 45.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.302 -0.874 . . . . 0.0 109.721 -179.617 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . 0.532 ' O ' ' CG ' ' B' ' 58' ' ' GLU . 14.3 t70 -75.89 -21.8 56.77 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.22 -0.925 . . . . 0.0 109.137 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -81.14 -51.68 8.19 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.309 -0.869 . . . . 0.0 109.74 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.577 ' HA ' ' CE2' ' B' ' 76' ' ' PHE . 35.8 m -69.09 -47.16 76.55 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.228 0 O-C-N 121.046 -1.034 . . . . 0.0 108.704 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.456 ' N ' HG22 ' B' ' 56' ' ' VAL . 28.8 tpp -63.01 -19.93 64.83 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . 0.532 ' CG ' ' O ' ' B' ' 54' ' ' ASP . 2.7 mt-10 -72.45 -57.51 4.12 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.429 -0.794 . . . . 0.0 109.572 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' THR . . . . . 0.443 ' O ' ' HB3' ' B' ' 62' ' ' GLU . 0.2 OUTLIER -58.96 -38.68 79.63 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 179.468 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.467 HD11 ' HG3' ' B' ' 33' ' ' LYS . 12.0 mt -55.08 -55.34 32.17 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 179.313 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.9 -1.96 45.56 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.444 -0.785 . . . . 0.0 109.394 179.641 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.443 ' HB3' ' O ' ' B' ' 59' ' ' THR . 40.1 tt0 -68.36 -32.28 72.27 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.093 -1.005 . . . . 0.0 109.127 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -150.51 -48.7 0.13 Allowed 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.35 -0.844 . . . . 0.0 109.662 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . 0.438 ' C ' ' HB2' ' B' ' 29' ' ' LYS . . . 88.3 -19.33 36.13 Favored Glycine 0 N--CA 1.489 2.208 0 N-CA-C 109.489 -1.445 . . . . 0.0 109.489 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -121.53 83.54 2.1 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.29 -1.123 . . . . 0.0 109.36 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . 0.43 ' O ' ' HA ' ' B' ' 28' ' ' LYS . . . -143.49 -177.44 18.43 Favored Glycine 0 N--CA 1.486 1.981 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -121.74 127.62 50.87 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.159 -1.2 . . . . 0.0 109.453 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 48.7 m -109.97 168.46 9.41 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.339 -0.851 . . . . 0.0 109.806 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -99.25 -170.19 1.88 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.258 -0.901 . . . . 0.0 109.085 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.596 ' CD2' ' HG2' ' B' ' 71' ' ' GLN . 3.4 p90 -84.57 -36.8 21.86 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.06 -1.025 . . . . 0.0 109.536 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . 0.596 ' HG2' ' CD2' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -81.16 -13.87 58.2 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.864 -1.148 . . . . 0.0 109.002 179.048 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.467 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 1.6 mm-40 -78.23 -48.41 15.84 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.303 -0.873 . . . . 0.0 108.746 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.578 ' CE1' ' HG ' ' B' ' 35' ' ' LEU . 0.3 OUTLIER -68.7 -29.92 68.46 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 179.212 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' MET . . . . . 0.414 ' HE1' ' CD1' ' B' ' 10' ' ' LEU . 0.0 OUTLIER -74.2 -45.78 46.12 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.374 -0.829 . . . . 0.0 109.414 -179.759 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.52 ' O ' ' CG ' ' B' ' 79' ' ' MET . . . -72.25 -18.22 61.84 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.29 -0.881 . . . . 0.0 109.032 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.577 ' CE2' ' HA ' ' B' ' 56' ' ' VAL . 0.2 OUTLIER -80.09 -37.94 32.7 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.42 -0.8 . . . . 0.0 109.567 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.537 ' CG1' HD13 ' B' ' 40' ' ' LEU . 98.7 t -70.22 -26.91 30.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.247 -0.908 . . . . 0.0 109.597 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.53 ' O ' ' CG2' ' B' ' 82' ' ' THR . 15.9 m -76.13 -26.02 55.94 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.207 -0.933 . . . . 0.0 109.631 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' MET . . . . . 0.52 ' CG ' ' O ' ' B' ' 75' ' ' ALA . 5.2 mtp -69.49 -50.59 43.85 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.29 -0.881 . . . . 0.0 109.166 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . 0.579 ' CG2' ' CG2' ' B' ' 36' ' ' ILE . 11.9 m -70.57 -41.04 77.92 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.452 0 O-C-N 121.439 -0.788 . . . . 0.0 109.862 -179.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.523 ' OG1' ' CD1' ' B' ' 40' ' ' LEU . 22.3 m -67.41 -10.1 48.04 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.109 -0.994 . . . . 0.0 108.945 179.476 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.53 ' CG2' ' O ' ' B' ' 78' ' ' SER . 72.7 p -115.06 -11.77 12.05 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.333 -0.855 . . . . 0.0 109.371 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . 0.479 ' O ' ' HA ' ' B' ' 47' ' ' ILE . . . . . . . . 0 N--CA 1.489 1.5 0 O-C-N 121.286 -0.884 . . . . 0.0 109.393 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' SER . . . . . 0.437 ' O ' ' HB3' ' A' ' 5' ' ' LYS . 1.0 OUTLIER . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.466 ' OE1' HG21 ' B' ' 13' ' ' VAL . 0.1 OUTLIER -80.24 -63.12 1.48 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.165 -0.959 . . . . 0.0 109.899 -179.844 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.499 ' CD1' HD22 ' B' ' 10' ' ' LEU . 6.2 tp -70.73 -50.83 32.03 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.324 -0.86 . . . . 0.0 109.829 -179.591 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.542 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 12.8 tm-20 -51.16 -36.97 43.73 Favored 'General case' 0 C--N 1.295 -1.776 0 O-C-N 121.283 -0.886 . . . . 0.0 110.313 -178.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.437 ' HB3' ' O ' ' A' ' 1' ' ' SER . 0.1 OUTLIER -81.07 -37.82 28.37 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.785 -1.197 . . . . 0.0 109.798 -179.73 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.501 ' HB3' ' CB ' ' B' ' 9' ' ' ALA . . . -80.42 -69.18 0.61 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.23 -0.918 . . . . 0.0 109.822 -179.682 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.484 ' HE1' ' OG1' ' B' ' 81' ' ' THR . 1.2 tpt -42.52 -51.99 4.88 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.267 -0.896 . . . . 0.0 109.585 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.542 ' CG2' ' O ' ' A' ' 4' ' ' GLU . 17.9 t -66.05 -36.2 76.9 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 O-C-N 121.418 -0.801 . . . . 0.0 109.245 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.505 ' CB ' ' HB3' ' B' ' 6' ' ' ALA . . . -52.64 -40.43 62.77 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.066 -1.021 . . . . 0.0 108.431 179.139 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.526 HD22 ' CD1' ' B' ' 3' ' ' LEU . 0.8 OUTLIER -56.12 -45.61 79.47 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 178.858 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.453 ' HB ' ' O ' ' A' ' 8' ' ' VAL . 1.2 mt -52.47 -36.24 21.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 178.791 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -58.65 -56.32 23.65 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.403 -0.811 . . . . 0.0 109.808 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.466 HG21 ' OE1' ' B' ' 2' ' ' GLU . 76.9 t -46.42 -32.11 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.169 -0.957 . . . . 0.0 109.636 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.56 ' CE2' HD22 ' A' ' 27' ' ' LEU . 32.2 t80 -62.65 -47.69 82.6 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.118 -0.989 . . . . 0.0 109.696 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.445 ' O ' ' CG ' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -75.31 -2.76 29.77 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.189 -0.945 . . . . 0.0 109.262 -179.761 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.86 -32.05 12.29 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.237 -0.914 . . . . 0.0 109.143 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.48 ' CD2' ' CD2' ' A' ' 35' ' ' LEU . 3.4 m-30 -102.9 -57.1 2.1 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.375 -0.828 . . . . 0.0 109.243 179.691 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.519 ' HB2' ' CD2' ' A' ' 27' ' ' LEU . 2.8 t . . . . . 0 N--CA 1.493 1.699 0 O-C-N 121.312 -0.868 . . . . 0.0 109.212 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 19.9 m170 . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.132 0.491 . . . . 0.0 109.914 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.62 136.26 18.12 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.195 -0.941 . . . . 0.0 109.143 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.56 HD22 ' CE2' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -98.42 -167.89 1.57 Allowed 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.094 -1.003 . . . . 0.0 109.558 179.931 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -150.51 129.13 12.28 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 179.706 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.532 ' O ' ' CD2' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -43.5 -24.18 0.1 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.108 -0.995 . . . . 0.0 110.188 -179.393 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 28' ' ' LYS . 1.6 m -77.67 -45.29 25.36 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.897 -1.127 . . . . 0.0 109.841 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.48 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 1.1 tp10 -74.28 -14.98 60.98 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.079 -1.013 . . . . 0.0 108.72 179.671 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.49 ' O ' HG13 ' A' ' 36' ' ' ILE . 20.1 tp -81.54 -47.84 12.58 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 178.398 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.2 ttmt -50.82 -42.38 58.35 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 178.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.539 ' HG3' ' N ' ' A' ' 35' ' ' LEU . 5.6 pt-20 -74.65 -44.2 51.54 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.457 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.539 ' N ' ' HG3' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -43.63 -41.36 4.61 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 179.471 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.49 HG13 ' O ' ' A' ' 32' ' ' LEU . 0.7 OUTLIER -80.47 -63.79 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 121.338 -0.851 . . . . 0.0 109.951 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.479 ' HA ' ' HB2' ' A' ' 41' ' ' SER . 38.3 t-20 -66.36 -61.87 1.78 Allowed 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.067 -1.021 . . . . 0.0 110.137 -179.188 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.479 ' HB3' ' O ' ' A' ' 34' ' ' GLU . 10.4 t30 -43.48 -44.52 5.97 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.306 -0.871 . . . . 0.0 110.321 -179.519 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.453 ' HG2' ' HB3' ' B' ' 3' ' ' LEU . 0.5 OUTLIER -92.43 -75.7 0.48 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.998 -1.064 . . . . 0.0 110.856 -179.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.482 ' HB2' ' O ' ' A' ' 36' ' ' ILE . 54.5 mt -56.58 -95.19 0.0 OUTLIER 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.088 -1.007 . . . . 0.0 110.036 -178.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.479 ' HB2' ' HA ' ' A' ' 37' ' ' ASN . 39.4 t 42.2 74.14 0.12 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.19 -0.944 . . . . 0.0 109.721 -179.734 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -149.04 -46.31 0.14 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.024 -1.048 . . . . 0.0 109.916 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -98.11 90.89 5.03 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.128 -0.983 . . . . 0.0 109.218 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.64 69.76 1.29 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.317 -0.865 . . . . 0.0 109.472 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -130.09 -51.24 1.12 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.174 -0.953 . . . . 0.0 109.581 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 51.5 mp0 -119.3 68.05 0.8 Allowed 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.395 -0.815 . . . . 0.0 109.478 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.6 mt -64.56 127.79 25.94 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.22 -0.925 . . . . 0.0 109.685 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -98.58 -37.45 9.53 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.208 -0.932 . . . . 0.0 109.282 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.491 ' HB3' ' HB ' ' A' ' 52' ' ' VAL . 15.1 mm-40 -94.78 61.86 2.64 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.234 -0.916 . . . . 0.0 109.344 179.677 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.487 ' O ' ' HB2' ' A' ' 54' ' ' ASP . 14.7 tt0 -53.63 -25.73 19.02 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.182 -0.949 . . . . 0.0 109.404 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.453 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 0.7 OUTLIER -74.9 -35.77 62.23 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.287 -0.883 . . . . 0.0 109.707 -179.869 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.528 ' CG1' ' HB3' ' A' ' 83' ' ' ALA . 54.6 t -65.55 -56.35 15.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.222 -0.924 . . . . 0.0 109.729 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 76.9 t -67.44 -27.98 40.55 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.317 -0.864 . . . . 0.0 109.757 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.521 ' O ' ' CG ' ' A' ' 58' ' ' GLU . 29.4 m-20 -76.79 -24.14 52.87 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.122 -0.986 . . . . 0.0 109.343 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.453 ' HB2' ' O ' ' A' ' 51' ' ' GLU . 2.1 tmtt? -80.53 -48.29 12.97 Favored 'General case' 0 C--N 1.306 -1.299 0 O-C-N 121.262 -0.899 . . . . 0.0 109.775 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.3 m -71.45 -41.45 73.02 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 O-C-N 121.055 -1.028 . . . . 0.0 109.351 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 60.5 tpp -68.87 -24.37 64.33 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.518 -0.739 . . . . 0.0 109.089 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.521 ' CG ' ' O ' ' A' ' 54' ' ' ASP . 15.8 mt-10 -77.24 -53.57 7.56 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.255 -0.903 . . . . 0.0 109.644 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.471 ' HA ' ' HB2' ' A' ' 62' ' ' GLU . 48.9 m -63.04 -31.62 72.8 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.376 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.532 ' CD2' ' O ' ' A' ' 29' ' ' LYS . 9.7 mt -63.82 -54.01 41.83 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.505 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -80.59 -2.52 46.67 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.387 -0.821 . . . . 0.0 109.628 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.471 ' HB2' ' HA ' ' A' ' 59' ' ' THR . 3.5 tt0 -72.57 -45.59 58.49 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.182 -0.949 . . . . 0.0 109.794 -179.673 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.516 ' HB3' ' CE ' ' A' ' 29' ' ' LYS . 58.1 t0 -113.67 -56.08 2.44 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.335 -0.853 . . . . 0.0 109.616 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.76 -45.1 3.45 Favored Glycine 0 N--CA 1.489 2.22 0 N-CA-C 109.434 -1.466 . . . . 0.0 109.434 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -108.17 72.65 0.85 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.315 -1.109 . . . . 0.0 109.33 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -134.01 162.86 24.54 Favored Glycine 0 N--CA 1.486 1.992 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -93.43 133.13 37.02 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.226 -1.161 . . . . 0.0 109.7 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.455 ' HB3' ' CD ' ' A' ' 72' ' ' GLU . 74.1 m -119.9 161.39 20.94 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.327 -0.858 . . . . 0.0 109.005 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -98.83 -177.52 3.67 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.149 -0.97 . . . . 0.0 109.084 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.495 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 0.9 OUTLIER -83.64 -28.71 28.23 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.325 -0.86 . . . . 0.0 109.331 179.75 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.537 ' HG3' ' N ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -81.35 -27.52 34.88 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.302 -0.874 . . . . 0.0 110.125 -179.778 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.553 ' HG3' ' N ' ' A' ' 73' ' ' PHE . 3.2 pt-20 -73.83 -47.19 40.23 Favored 'General case' 0 C--N 1.308 -1.225 0 O-C-N 120.859 -1.15 . . . . 0.0 108.749 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.553 ' N ' ' HG3' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -65.41 -26.96 68.21 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 107.915 -1.142 . . . . 0.0 107.915 178.777 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.445 ' N ' ' CD1' ' A' ' 73' ' ' PHE . 0.3 OUTLIER -66.6 -52.89 40.29 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.599 -0.688 . . . . 0.0 109.706 -179.757 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.461 ' O ' ' HG3' ' A' ' 79' ' ' MET . . . -71.07 -20.7 62.33 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.23 -0.919 . . . . 0.0 109.193 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.454 ' O ' HG23 ' A' ' 80' ' ' VAL . 1.5 m-85 -76.57 -30.79 57.19 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.242 -0.911 . . . . 0.0 109.309 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.459 HG11 ' O ' ' A' ' 77' ' ' VAL . 87.3 t -74.76 -26.87 19.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.147 -0.971 . . . . 0.0 109.501 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.457 ' HA ' ' HE2' ' B' ' 7' ' ' MET . 0.1 OUTLIER -79.87 -48.85 12.81 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.217 -0.927 . . . . 0.0 110.055 -179.738 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.461 ' HG3' ' O ' ' A' ' 75' ' ' ALA . 0.4 OUTLIER -52.74 -45.98 67.26 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.205 -0.935 . . . . 0.0 110.38 -179.473 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.471 HG22 HG22 ' A' ' 36' ' ' ILE . 7.3 m -71.2 -40.49 74.56 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.465 0 O-C-N 121.127 -0.983 . . . . 0.0 110.629 -179.152 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.48 ' OG1' ' HE1' ' B' ' 7' ' ' MET . 4.2 m -74.35 -1.99 23.32 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.908 -1.12 . . . . 0.0 109.487 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 73.4 p -124.78 -8.78 7.29 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.276 -0.89 . . . . 0.0 109.528 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.528 ' HB3' ' CG1' ' A' ' 52' ' ' VAL . . . . . . . . 0 N--CA 1.489 1.483 0 O-C-N 121.196 -0.94 . . . . 0.0 109.439 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 1' ' ' SER . . . . . 0.43 ' O ' ' HB3' ' B' ' 5' ' ' LYS . 1.0 OUTLIER . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.466 ' OE1' HG21 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -80.31 -63.23 1.46 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.256 -0.903 . . . . 0.0 109.862 -179.781 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.526 ' CD1' HD22 ' A' ' 10' ' ' LEU . 6.2 tp -70.72 -50.76 32.84 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.403 -0.811 . . . . 0.0 109.787 -179.583 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . 0.539 ' O ' ' CG2' ' B' ' 8' ' ' VAL . 12.8 tm-20 -51.17 -36.9 43.39 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 121.326 -0.859 . . . . 0.0 110.404 -178.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.43 ' HB3' ' O ' ' B' ' 1' ' ' SER . 0.1 OUTLIER -81.17 -37.94 27.93 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.765 -1.209 . . . . 0.0 109.707 -179.758 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . 0.505 ' HB3' ' CB ' ' A' ' 9' ' ' ALA . . . -80.36 -69.25 0.61 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.28 -0.888 . . . . 0.0 109.848 -179.661 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' MET . . . . . 0.48 ' HE1' ' OG1' ' A' ' 81' ' ' THR . 1.1 tpt -42.47 -51.93 4.85 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.316 -0.865 . . . . 0.0 109.542 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . 0.539 ' CG2' ' O ' ' B' ' 4' ' ' GLU . 18.1 t -66.07 -36.21 76.9 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.601 0 O-C-N 121.37 -0.832 . . . . 0.0 109.314 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . 0.501 ' CB ' ' HB3' ' A' ' 6' ' ' ALA . . . -52.61 -40.51 62.79 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.978 -1.076 . . . . 0.0 108.374 179.071 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.499 HD22 ' CD1' ' A' ' 3' ' ' LEU . 0.8 OUTLIER -56.01 -45.72 78.99 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 178.9 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.465 ' HB ' ' O ' ' B' ' 8' ' ' VAL . 1.2 mt -52.51 -36.19 21.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 178.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -58.56 -56.35 23.32 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.407 -0.808 . . . . 0.0 109.818 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . 0.466 HG21 ' OE1' ' A' ' 2' ' ' GLU . 76.4 t -46.41 -32.17 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.143 -0.973 . . . . 0.0 109.68 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.556 ' CE2' HD22 ' B' ' 27' ' ' LEU . 32.1 t80 -62.65 -47.58 83.1 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.227 -0.921 . . . . 0.0 109.718 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . 0.433 ' O ' ' CG ' ' B' ' 15' ' ' HIS . 0.0 OUTLIER -75.38 -2.72 29.78 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.172 -0.955 . . . . 0.0 109.271 -179.779 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.92 -32.15 12.2 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.168 -0.958 . . . . 0.0 109.141 179.708 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.477 ' CD2' ' CD2' ' B' ' 35' ' ' LEU . 3.4 m-30 -102.92 -57.13 2.1 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.39 -0.819 . . . . 0.0 109.166 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.526 ' HB2' ' CD2' ' B' ' 27' ' ' LEU . 2.8 t . . . . . 0 N--CA 1.491 1.597 0 O-C-N 121.323 -0.86 . . . . 0.0 109.098 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 19.5 m170 . . . . . 0 N--CA 1.493 1.684 0 CA-C-O 121.144 0.497 . . . . 0.0 109.869 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.55 136.31 18.24 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.199 -0.938 . . . . 0.0 109.165 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.556 HD22 ' CE2' ' B' ' 14' ' ' PHE . 0.3 OUTLIER -98.63 -167.87 1.56 Allowed 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.209 -0.932 . . . . 0.0 109.573 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' B' ' 30' ' ' SER . 0.0 OUTLIER -150.43 129.17 12.37 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 179.767 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.534 ' O ' ' CD2' ' B' ' 60' ' ' LEU . 0.0 OUTLIER -43.52 -24.15 0.1 Allowed 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.077 -1.015 . . . . 0.0 110.166 -179.348 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.433 ' N ' ' O ' ' B' ' 28' ' ' LYS . 1.6 m -77.74 -45.19 25.42 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.859 -1.15 . . . . 0.0 109.894 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.485 ' O ' ' HG2' ' B' ' 34' ' ' GLU . 1.1 tp10 -74.36 -14.97 60.95 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.089 -1.007 . . . . 0.0 108.701 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.497 ' O ' HG13 ' B' ' 36' ' ' ILE . 20.3 tp -81.51 -47.94 12.48 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 107.334 -1.358 . . . . 0.0 107.334 178.373 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 18.2 ttmt -50.82 -42.37 58.3 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 178.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.536 ' HG3' ' N ' ' B' ' 35' ' ' LEU . 5.5 pt-20 -74.71 -44.12 51.61 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 179.495 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.536 ' N ' ' HG3' ' B' ' 34' ' ' GLU . 0.2 OUTLIER -43.81 -41.2 4.87 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 179.525 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.497 HG13 ' O ' ' B' ' 32' ' ' LEU . 0.7 OUTLIER -80.52 -63.96 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.285 -0.884 . . . . 0.0 109.888 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.481 ' HA ' ' HB2' ' B' ' 41' ' ' SER . 38.2 t-20 -66.26 -61.87 1.78 Allowed 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.106 -0.996 . . . . 0.0 110.072 -179.181 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.482 ' HB3' ' O ' ' B' ' 34' ' ' GLU . 10.4 t30 -43.61 -44.43 6.27 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.221 -0.924 . . . . 0.0 110.298 -179.41 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.418 ' HA ' ' OE1' ' B' ' 39' ' ' GLU . 0.5 OUTLIER -92.45 -75.79 0.48 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.982 -1.074 . . . . 0.0 110.814 -179.041 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.472 ' HB2' ' O ' ' B' ' 36' ' ' ILE . 54.4 mt -56.61 -95.17 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.357 0 O-C-N 121.131 -0.981 . . . . 0.0 110.069 -178.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.481 ' HB2' ' HA ' ' B' ' 37' ' ' ASN . 39.1 t 42.31 74.1 0.12 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.196 -0.94 . . . . 0.0 109.667 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -148.98 -46.35 0.14 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.093 -1.004 . . . . 0.0 109.867 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -98.19 91.12 5.1 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.134 -0.979 . . . . 0.0 109.235 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.78 69.68 1.29 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.319 -0.863 . . . . 0.0 109.46 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -130.05 -51.31 1.12 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.225 -0.922 . . . . 0.0 109.584 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 51.4 mp0 -119.29 68.07 0.8 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.418 -0.801 . . . . 0.0 109.433 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 3.6 mt -64.62 127.9 26.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.2 -0.937 . . . . 0.0 109.55 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -98.64 -37.51 9.48 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.236 -0.915 . . . . 0.0 109.231 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.482 ' HB3' ' HB ' ' B' ' 52' ' ' VAL . 15.0 mm-40 -94.82 61.93 2.63 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.28 -0.887 . . . . 0.0 109.292 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . 0.472 ' O ' ' HB2' ' B' ' 54' ' ' ASP . 14.8 tt0 -53.71 -25.59 19.14 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.246 -0.909 . . . . 0.0 109.402 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.468 ' O ' ' HB2' ' B' ' 55' ' ' LYS . 0.7 OUTLIER -74.97 -35.75 62.08 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.31 -0.869 . . . . 0.0 109.719 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . 0.531 ' CG1' ' HB3' ' B' ' 83' ' ' ALA . 54.5 t -65.45 -56.46 15.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.094 -1.004 . . . . 0.0 109.713 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 77.4 t -67.59 -27.83 39.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.253 -0.904 . . . . 0.0 109.664 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . 0.525 ' O ' ' CG ' ' B' ' 58' ' ' GLU . 29.6 m-20 -76.93 -24.14 52.42 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.285 -0.884 . . . . 0.0 109.163 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . 0.468 ' HB2' ' O ' ' B' ' 51' ' ' GLU . 2.1 tmtt? -80.56 -48.34 12.87 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.239 -0.913 . . . . 0.0 109.739 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 21.4 m -71.42 -41.33 73.34 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 O-C-N 121.025 -1.047 . . . . 0.0 109.414 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 60.5 tpp -69.1 -24.32 64.12 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.418 -0.801 . . . . 0.0 109.008 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . 0.525 ' CG ' ' O ' ' B' ' 54' ' ' ASP . 15.7 mt-10 -77.24 -53.54 7.59 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.297 -0.877 . . . . 0.0 109.597 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' THR . . . . . 0.476 ' HA ' ' HB2' ' B' ' 62' ' ' GLU . 49.5 m -63.11 -31.56 72.73 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 179.412 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.534 ' CD2' ' O ' ' B' ' 29' ' ' LYS . 9.6 mt -63.91 -53.92 42.87 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 179.545 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -80.56 -2.59 46.89 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.387 -0.821 . . . . 0.0 109.685 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.476 ' HB2' ' HA ' ' B' ' 59' ' ' THR . 3.5 tt0 -72.52 -45.55 58.83 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.202 -0.937 . . . . 0.0 109.744 -179.638 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.51 ' HB3' ' CD ' ' B' ' 29' ' ' LYS . 58.3 t0 -113.75 -56.04 2.44 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.244 -0.91 . . . . 0.0 109.65 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.86 -45.33 3.5 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -108.07 72.62 0.85 Allowed 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.202 -1.175 . . . . 0.0 109.366 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -133.95 162.81 24.52 Favored Glycine 0 N--CA 1.486 2.008 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -93.48 133.17 37.04 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.181 -1.188 . . . . 0.0 109.728 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.455 ' SG ' ' OE2' ' B' ' 72' ' ' GLU . 73.9 m -119.83 161.45 20.78 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.337 -0.852 . . . . 0.0 108.971 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -98.86 -177.55 3.68 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.207 -0.933 . . . . 0.0 109.139 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.498 ' HA ' ' CE2' ' B' ' 14' ' ' PHE . 0.9 OUTLIER -83.57 -28.59 28.44 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.405 -0.809 . . . . 0.0 109.316 179.771 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . 0.538 ' HG3' ' N ' ' B' ' 72' ' ' GLU . 0.0 OUTLIER -81.42 -27.56 34.67 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.309 -0.87 . . . . 0.0 110.166 -179.781 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.559 ' HG3' ' N ' ' B' ' 73' ' ' PHE . 3.2 pt-20 -74.01 -46.96 40.32 Favored 'General case' 0 C--N 1.307 -1.25 0 O-C-N 120.909 -1.119 . . . . 0.0 108.727 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.559 ' N ' ' HG3' ' B' ' 72' ' ' GLU . 0.0 OUTLIER -65.47 -27.12 68.27 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 178.724 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' MET . . . . . 0.442 ' N ' ' CD1' ' B' ' 73' ' ' PHE . 0.3 OUTLIER -66.53 -52.94 40.4 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.587 -0.696 . . . . 0.0 109.687 -179.749 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.45 ' O ' ' HG3' ' B' ' 79' ' ' MET . . . -71.11 -20.61 62.31 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.205 -0.934 . . . . 0.0 109.229 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.455 ' O ' HG23 ' B' ' 80' ' ' VAL . 1.5 m-85 -76.61 -30.81 57.08 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.314 -0.866 . . . . 0.0 109.259 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.452 ' O ' HG11 ' B' ' 77' ' ' VAL . 87.8 t -74.77 -26.82 19.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.274 -0.891 . . . . 0.0 109.484 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.46 ' HA ' ' HE2' ' A' ' 7' ' ' MET . 0.1 OUTLIER -79.96 -48.87 12.7 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.215 -0.928 . . . . 0.0 110.087 -179.732 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' MET . . . . . 0.45 ' HG3' ' O ' ' B' ' 75' ' ' ALA . 0.4 OUTLIER -52.75 -46.05 67.31 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.211 -0.931 . . . . 0.0 110.282 -179.469 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . 0.476 HG22 HG22 ' B' ' 36' ' ' ILE . 7.4 m -71.11 -40.6 75.48 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 O-C-N 121.131 -0.981 . . . . 0.0 110.632 -179.137 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.484 ' OG1' ' HE1' ' A' ' 7' ' ' MET . 4.2 m -74.29 -2.02 23.26 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.914 -1.116 . . . . 0.0 109.49 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 72.9 p -124.79 -8.68 7.29 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.247 -0.908 . . . . 0.0 109.619 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . 0.531 ' HB3' ' CG1' ' B' ' 52' ' ' VAL . . . . . . . . 0 N--CA 1.49 1.572 0 O-C-N 121.154 -0.966 . . . . 0.0 109.448 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' SER . . . . . 0.448 ' CB ' ' OE1' ' B' ' 39' ' ' GLU . 33.1 p . . . . . 0 N--CA 1.49 1.532 0 CA-C-O 121.349 0.595 . . . . 0.0 109.587 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.542 ' O ' ' CB ' ' A' ' 6' ' ' ALA . 10.4 mm-40 -73.0 -37.4 66.99 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.425 -0.797 . . . . 0.0 109.567 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.536 ' O ' ' CB ' ' A' ' 7' ' ' MET . 4.7 tp -68.84 -41.64 78.23 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.154 -0.966 . . . . 0.0 110.281 -179.581 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.474 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 1.6 tm-20 -71.99 -62.67 1.34 Allowed 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.081 -1.012 . . . . 0.0 110.601 -178.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.467 ' O ' ' HB1' ' A' ' 9' ' ' ALA . 10.9 ptmt -60.67 -37.13 80.55 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.033 -1.042 . . . . 0.0 110.698 -178.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.542 ' CB ' ' O ' ' A' ' 2' ' ' GLU . . . -80.05 -60.4 2.35 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.904 -1.123 . . . . 0.0 110.275 -179.186 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.536 ' CB ' ' O ' ' A' ' 3' ' ' LEU . 10.6 tpt -51.74 -56.36 14.26 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.07 -1.019 . . . . 0.0 109.188 -179.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.474 ' CG2' ' O ' ' A' ' 4' ' ' GLU . 8.3 t -60.02 -27.1 37.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.371 -0.831 . . . . 0.0 109.029 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.471 ' HB1' ' O ' ' A' ' 6' ' ' ALA . . . -64.01 -43.94 94.12 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.456 -0.777 . . . . 0.0 109.346 179.61 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.456 HD22 HD13 ' B' ' 3' ' ' LEU . 0.1 OUTLIER -56.69 -35.13 68.12 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.331 -0.856 . . . . 0.0 108.953 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.545 ' CD1' ' N ' ' A' ' 11' ' ' ILE . 1.5 mp -65.1 -33.22 62.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.315 -0.866 . . . . 0.0 108.957 179.493 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -67.73 -54.78 16.62 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.361 -0.837 . . . . 0.0 109.428 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.541 ' CG2' ' HB2' ' B' ' 2' ' ' GLU . 0.6 OUTLIER -53.36 -55.08 14.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.282 -0.886 . . . . 0.0 109.06 179.837 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.589 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 93.9 t80 -43.73 -34.06 1.42 Allowed 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.62 -0.675 . . . . 0.0 110.094 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -81.15 -36.4 30.27 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.052 -1.03 . . . . 0.0 109.89 -179.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.87 -49.87 75.74 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.102 -0.999 . . . . 0.0 109.854 -179.721 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.581 ' CE2' HD23 ' A' ' 35' ' ' LEU . 57.6 m-85 -63.35 -40.58 97.66 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.176 -0.952 . . . . 0.0 109.726 -179.627 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.8 t . . . . . 0 N--CA 1.489 1.493 0 O-C-N 121.128 -0.983 . . . . 0.0 109.456 179.892 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.5 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 51.8 t-80 . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 121.214 0.53 . . . . 0.0 109.635 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.2 pttp -149.04 146.19 27.63 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.036 -1.04 . . . . 0.0 109.741 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 mt -117.72 -162.4 0.87 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.342 -0.849 . . . . 0.0 109.128 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -137.33 139.95 41.18 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.2 -0.938 . . . . 0.0 109.354 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.531 ' O ' ' CD2' ' A' ' 60' ' ' LEU . 0.8 OUTLIER -57.44 -23.14 47.86 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.159 -0.963 . . . . 0.0 109.757 -179.709 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.87 -38.04 33.58 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.984 -1.073 . . . . 0.0 109.52 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.476 ' O ' ' HB2' ' A' ' 35' ' ' LEU . 2.6 tt0 -75.89 -20.35 58.12 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.126 -0.984 . . . . 0.0 108.783 179.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.468 ' O ' HG13 ' A' ' 36' ' ' ILE . 29.0 tp -80.26 -41.83 24.3 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 178.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.488 ' HG3' HD11 ' A' ' 60' ' ' LEU . 15.2 tttt -57.69 -38.3 74.93 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 178.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.567 ' HG3' ' N ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -80.46 -31.82 37.33 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 179.648 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.581 HD23 ' CE2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -56.78 -43.18 80.62 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.771 -0.581 . . . . 0.0 109.877 -179.921 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.53 ' CG2' HG22 ' A' ' 80' ' ' VAL . 0.4 OUTLIER -80.14 -50.64 17.28 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.122 -0.986 . . . . 0.0 110.012 -179.271 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.466 ' O ' ' HB2' ' A' ' 41' ' ' SER . 18.0 t30 -69.49 -3.38 14.36 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.259 -0.901 . . . . 0.0 110.465 -179.123 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 66.3 t30 -106.61 -67.3 0.95 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.957 -1.09 . . . . 0.0 109.743 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.458 ' HB3' ' HB3' ' B' ' 3' ' ' LEU . 5.7 mm-40 -58.62 -65.6 0.63 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.18 -0.95 . . . . 0.0 109.679 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 41' ' ' SER . 28.8 mt -66.92 -93.39 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.187 -0.945 . . . . 0.0 109.622 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.466 ' HB2' ' O ' ' A' ' 37' ' ' ASN . 36.7 t 44.44 39.74 3.37 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.957 -1.089 . . . . 0.0 109.874 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -136.48 16.17 3.16 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.19 -0.944 . . . . 0.0 109.419 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -138.48 39.43 2.24 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.341 -0.849 . . . . 0.0 109.358 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.13 60.28 0.77 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.207 -0.933 . . . . 0.0 109.707 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -87.25 -72.66 0.5 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.227 -0.921 . . . . 0.0 109.45 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.47 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 0.2 OUTLIER -126.58 -33.0 2.58 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.257 -0.902 . . . . 0.0 108.974 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.47 ' HB ' ' O ' ' A' ' 46' ' ' GLU . 14.4 mt 64.99 125.07 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.313 -0.867 . . . . 0.0 109.544 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.35 -28.06 13.47 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.258 -0.901 . . . . 0.0 109.245 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.533 ' HB3' ' CG2' ' A' ' 52' ' ' VAL . 5.7 mm-40 -99.06 68.65 1.7 Allowed 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.31 -0.869 . . . . 0.0 109.362 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.543 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 10.8 tt0 -56.84 -23.63 45.39 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.255 -0.903 . . . . 0.0 109.331 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.453 ' O ' ' CB ' ' A' ' 55' ' ' LYS . 2.5 tt0 -80.11 -32.28 39.1 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.22 -0.925 . . . . 0.0 109.947 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.533 ' CG2' ' HB3' ' A' ' 49' ' ' GLU . 61.4 t -70.87 -47.79 60.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.067 -1.021 . . . . 0.0 109.617 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.419 ' O ' ' CB ' ' A' ' 57' ' ' MET . 63.4 t -76.52 -31.3 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.209 -0.932 . . . . 0.0 109.16 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.543 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 27.6 t70 -79.5 -17.69 53.58 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 179.185 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.453 ' CB ' ' O ' ' A' ' 51' ' ' GLU . 0.9 OUTLIER -80.2 -49.25 11.91 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.372 -0.83 . . . . 0.0 109.073 179.637 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.554 HG13 ' CE2' ' A' ' 76' ' ' PHE . 2.4 m -74.58 -35.07 36.97 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 O-C-N 121.084 -1.01 . . . . 0.0 108.592 179.43 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.419 ' CB ' ' O ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -72.12 -22.52 61.32 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 179.244 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.473 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 10.2 mt-10 -75.31 -55.12 6.02 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.451 -0.781 . . . . 0.0 109.165 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.1 m -60.75 -37.33 81.45 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 107.729 -1.212 . . . . 0.0 107.729 179.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.531 ' CD2' ' O ' ' A' ' 29' ' ' LYS . 14.3 mt -55.69 -57.0 13.8 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -80.4 -1.21 40.39 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.571 -0.706 . . . . 0.0 109.677 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.9 -31.85 68.62 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.105 -0.997 . . . . 0.0 109.585 -179.694 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -132.55 -59.87 0.9 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.226 -0.921 . . . . 0.0 109.686 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 77.9 -5.46 53.27 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.866 -1.294 . . . . 0.0 109.866 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -132.5 37.98 3.47 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.044 -1.268 . . . . 0.0 109.548 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -120.78 -173.31 14.79 Favored Glycine 0 N--CA 1.486 2.024 0 N-CA-C 109.612 -1.395 . . . . 0.0 109.612 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -116.58 158.49 23.6 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.25 -1.147 . . . . 0.0 109.487 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 56.6 m -127.97 179.61 5.48 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.339 -0.851 . . . . 0.0 109.108 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -117.9 174.43 6.2 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.136 -0.978 . . . . 0.0 109.344 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.573 ' CE2' ' HG2' ' A' ' 71' ' ' GLN . 44.8 p90 -74.11 -30.62 62.42 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.326 -0.859 . . . . 0.0 109.14 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.573 ' HG2' ' CE2' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -79.28 -22.97 43.92 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.387 -0.821 . . . . 0.0 108.901 179.341 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.434 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -78.54 -50.34 11.74 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.396 -0.815 . . . . 0.0 109.206 179.85 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.589 ' CE1' ' HB2' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -66.05 -24.21 66.69 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.387 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.485 ' HB2' ' O ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -75.32 -52.22 11.34 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.536 -0.727 . . . . 0.0 109.365 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.466 ' O ' ' HG3' ' A' ' 79' ' ' MET . . . -70.8 -16.21 62.72 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.177 -0.952 . . . . 0.0 108.731 179.631 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.554 ' CE2' HG13 ' A' ' 56' ' ' VAL . 1.2 m-85 -80.59 -42.85 21.56 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.45 -0.781 . . . . 0.0 109.543 179.674 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.467 ' O ' ' OG1' ' A' ' 81' ' ' THR . 97.1 t -67.49 -29.14 44.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.271 -0.893 . . . . 0.0 109.741 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.474 ' O ' ' OG1' ' A' ' 82' ' ' THR . 5.9 m -76.19 -39.09 55.6 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.119 -0.988 . . . . 0.0 109.783 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.527 ' HB3' ' CG1' ' A' ' 52' ' ' VAL . 0.1 OUTLIER -60.98 -50.73 72.2 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.277 -0.889 . . . . 0.0 110.036 -179.708 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.53 HG22 ' CG2' ' A' ' 36' ' ' ILE . 2.5 m -69.36 -39.32 78.73 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.394 0 O-C-N 121.149 -0.969 . . . . 0.0 110.11 -179.276 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.467 ' OG1' ' O ' ' A' ' 77' ' ' VAL . 25.5 m -67.2 -14.08 62.57 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.073 -1.017 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.474 ' OG1' ' O ' ' A' ' 78' ' ' SER . 2.2 p -103.94 -13.21 16.43 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.287 -0.883 . . . . 0.0 109.329 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.577 0 O-C-N 121.249 -0.907 . . . . 0.0 109.636 -179.967 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 1' ' ' SER . . . . . 0.435 ' CB ' ' OE1' ' A' ' 39' ' ' GLU . 33.4 p . . . . . 0 N--CA 1.489 1.522 0 CA-C-O 121.34 0.59 . . . . 0.0 109.634 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.547 ' O ' ' CB ' ' B' ' 6' ' ' ALA . 10.4 mm-40 -73.0 -37.35 67.0 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.407 -0.808 . . . . 0.0 109.53 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.538 ' O ' ' CB ' ' B' ' 7' ' ' MET . 4.7 tp -68.89 -41.71 77.93 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.089 -1.007 . . . . 0.0 110.258 -179.578 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . 0.469 ' O ' ' CG2' ' B' ' 8' ' ' VAL . 1.6 tm-20 -71.94 -62.58 1.37 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.226 -0.921 . . . . 0.0 110.62 -178.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.467 ' O ' ' HB1' ' B' ' 9' ' ' ALA . 11.0 ptmt -60.7 -37.2 80.86 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.024 -1.048 . . . . 0.0 110.753 -178.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . 0.547 ' CB ' ' O ' ' B' ' 2' ' ' GLU . . . -79.89 -60.43 2.34 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.927 -1.108 . . . . 0.0 110.365 -179.294 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' MET . . . . . 0.538 ' CB ' ' O ' ' B' ' 3' ' ' LEU . 10.6 tpt -51.64 -56.41 13.79 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.028 -1.045 . . . . 0.0 109.19 -179.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . 0.469 ' CG2' ' O ' ' B' ' 4' ' ' GLU . 8.5 t -60.12 -27.07 38.2 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.552 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . 0.473 ' HB1' ' O ' ' B' ' 6' ' ' ALA . . . -63.96 -43.96 94.22 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.417 -0.802 . . . . 0.0 109.293 179.635 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.45 HD22 ' CD1' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -56.68 -35.04 67.99 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.33 -0.856 . . . . 0.0 109.124 179.915 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.559 ' CD1' ' N ' ' B' ' 11' ' ' ILE . 1.5 mp -65.16 -33.05 61.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.197 -0.939 . . . . 0.0 109.001 179.425 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -67.8 -54.79 16.33 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.355 -0.841 . . . . 0.0 109.466 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . 0.537 ' CG2' ' HB2' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -53.47 -54.95 15.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.351 -0.843 . . . . 0.0 109.091 179.855 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.589 ' HB2' ' CE1' ' B' ' 73' ' ' PHE . 93.7 t80 -43.62 -34.24 1.39 Allowed 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.589 -0.694 . . . . 0.0 110.15 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -81.11 -36.35 30.45 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.075 -1.015 . . . . 0.0 109.848 -179.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.79 -49.97 75.35 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.157 -0.965 . . . . 0.0 109.846 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.575 ' CZ ' HD23 ' B' ' 35' ' ' LEU . 57.9 m-85 -63.23 -40.64 98.01 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.142 -0.974 . . . . 0.0 109.8 -179.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 9.7 t . . . . . 0 N--CA 1.49 1.575 0 O-C-N 121.022 -1.048 . . . . 0.0 109.342 179.972 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . 0.501 ' CG ' ' O ' ' B' ' 25' ' ' HIS . 51.8 t-80 . . . . . 0 N--CA 1.489 1.491 0 CA-C-O 121.141 0.496 . . . . 0.0 109.677 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 3.2 pttp -149.03 146.25 27.67 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.136 -0.977 . . . . 0.0 109.645 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 3.9 mt -117.79 -162.44 0.88 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.231 -0.918 . . . . 0.0 109.084 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -137.36 140.0 41.15 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.151 -0.968 . . . . 0.0 109.269 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.536 ' O ' ' CD2' ' B' ' 60' ' ' LEU . 0.8 OUTLIER -57.44 -23.19 48.2 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.124 -0.985 . . . . 0.0 109.728 -179.725 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.84 -38.09 33.57 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.03 -1.044 . . . . 0.0 109.479 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.47 ' O ' ' HB2' ' B' ' 35' ' ' LEU . 2.6 tt0 -75.85 -20.24 58.27 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.199 -0.938 . . . . 0.0 108.853 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.459 ' O ' HG13 ' B' ' 36' ' ' ILE . 29.1 tp -80.29 -41.72 24.42 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 178.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.481 ' HA ' HD12 ' B' ' 60' ' ' LEU . 15.3 tttt -57.93 -38.14 75.39 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 178.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.566 ' HG3' ' N ' ' B' ' 35' ' ' LEU . 0.0 OUTLIER -80.41 -31.88 37.56 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.534 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.575 HD23 ' CZ ' ' B' ' 17' ' ' TYR . 0.0 OUTLIER -56.83 -43.15 80.78 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.793 -0.567 . . . . 0.0 109.858 -179.866 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.523 ' CG2' HG22 ' B' ' 80' ' ' VAL . 0.4 OUTLIER -80.1 -50.52 17.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.128 -0.982 . . . . 0.0 110.098 -179.309 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.468 ' O ' ' HB2' ' B' ' 41' ' ' SER . 18.1 t30 -69.57 -3.27 14.12 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.241 -0.912 . . . . 0.0 110.507 -179.158 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' B' ' 34' ' ' GLU . 66.3 t30 -106.72 -67.32 0.95 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.974 -1.079 . . . . 0.0 109.631 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.457 ' HB3' ' HB3' ' A' ' 3' ' ' LEU . 5.7 mm-40 -58.58 -65.62 0.63 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.206 -0.934 . . . . 0.0 109.662 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' B' ' 41' ' ' SER . 28.6 mt -66.82 -93.37 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.212 -0.93 . . . . 0.0 109.662 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.468 ' HB2' ' O ' ' B' ' 37' ' ' ASN . 36.6 t 44.45 39.71 3.37 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.047 -1.033 . . . . 0.0 109.829 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -136.54 16.19 3.15 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.128 -0.983 . . . . 0.0 109.322 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -138.41 39.4 2.26 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.366 -0.834 . . . . 0.0 109.439 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.11 60.22 0.77 Allowed 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.207 -0.933 . . . . 0.0 109.65 -179.721 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -87.24 -72.67 0.5 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.161 -0.962 . . . . 0.0 109.402 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . 0.467 ' O ' ' HB ' ' B' ' 47' ' ' ILE . 0.2 OUTLIER -126.57 -33.03 2.58 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.333 -0.855 . . . . 0.0 108.945 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.467 ' HB ' ' O ' ' B' ' 46' ' ' GLU . 14.4 mt 65.07 125.09 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.301 -0.874 . . . . 0.0 109.473 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.37 -28.04 13.47 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.283 -0.885 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.534 ' HB3' ' CG2' ' B' ' 52' ' ' VAL . 5.8 mm-40 -99.05 68.7 1.71 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.295 -0.878 . . . . 0.0 109.387 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . 0.537 ' O ' ' CB ' ' B' ' 54' ' ' ASP . 10.8 tt0 -56.8 -23.65 45.04 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.265 -0.897 . . . . 0.0 109.38 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.45 ' O ' ' CB ' ' B' ' 55' ' ' LYS . 2.5 tt0 -80.15 -32.19 38.92 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.199 -0.938 . . . . 0.0 109.877 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . 0.534 ' CG2' ' HB3' ' B' ' 49' ' ' GLU . 63.3 t -71.05 -47.79 59.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.138 -0.976 . . . . 0.0 109.468 -179.707 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.412 ' O ' ' CB ' ' B' ' 57' ' ' MET . 63.6 t -76.37 -31.39 20.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.258 -0.901 . . . . 0.0 109.186 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . 0.537 ' CB ' ' O ' ' B' ' 50' ' ' GLN . 27.5 t70 -79.55 -17.61 53.61 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 179.262 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . 0.45 ' CB ' ' O ' ' B' ' 51' ' ' GLU . 0.9 OUTLIER -80.2 -49.3 11.83 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.354 -0.841 . . . . 0.0 109.094 179.626 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.558 HG13 ' CE2' ' B' ' 76' ' ' PHE . 2.5 m -74.48 -35.11 37.72 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 O-C-N 121.238 -0.914 . . . . 0.0 108.618 179.384 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.412 ' CB ' ' O ' ' B' ' 53' ' ' VAL . 0.0 OUTLIER -72.07 -22.51 61.36 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 179.268 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . 0.462 ' HB2' ' O ' ' B' ' 54' ' ' ASP . 10.1 mt-10 -75.37 -55.07 6.06 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.444 -0.785 . . . . 0.0 109.171 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 3.1 m -60.73 -37.37 81.54 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 179.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.536 ' CD2' ' O ' ' B' ' 29' ' ' LYS . 14.3 mt -55.72 -57.01 13.78 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 178.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -80.37 -1.25 40.45 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.629 -0.669 . . . . 0.0 109.612 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.92 -31.75 68.46 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.154 -0.966 . . . . 0.0 109.556 -179.601 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -132.62 -59.92 0.89 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.231 -0.918 . . . . 0.0 109.56 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 77.89 -5.5 52.98 Favored Glycine 0 N--CA 1.489 2.206 0 N-CA-C 109.889 -1.285 . . . . 0.0 109.889 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -132.39 37.88 3.49 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.094 -1.239 . . . . 0.0 109.569 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -120.81 -173.33 14.78 Favored Glycine 0 N--CA 1.488 2.12 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -116.53 158.43 23.64 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.21 -1.17 . . . . 0.0 109.508 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 56.7 m -127.95 179.58 5.49 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.328 -0.858 . . . . 0.0 109.122 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -117.89 174.46 6.18 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.136 -0.977 . . . . 0.0 109.3 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.576 ' CE2' ' HG2' ' B' ' 71' ' ' GLN . 44.8 p90 -74.16 -30.55 62.32 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.35 -0.844 . . . . 0.0 109.14 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . 0.576 ' HG2' ' CE2' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -79.42 -22.92 43.61 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.36 -0.838 . . . . 0.0 108.774 179.487 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.434 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 0.1 OUTLIER -78.54 -50.46 11.53 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.428 -0.795 . . . . 0.0 109.169 179.902 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.589 ' CE1' ' HB2' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -66.01 -24.12 66.7 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 179.35 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' MET . . . . . 0.477 ' HB2' ' O ' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -75.31 -52.24 11.31 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.53 -0.731 . . . . 0.0 109.407 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.461 ' O ' ' HG3' ' B' ' 79' ' ' MET . . . -70.65 -16.37 62.81 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.216 -0.927 . . . . 0.0 108.751 179.582 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.558 ' CE2' HG13 ' B' ' 56' ' ' VAL . 1.2 m-85 -80.5 -42.85 21.77 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.384 -0.823 . . . . 0.0 109.591 179.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.471 ' O ' ' OG1' ' B' ' 81' ' ' THR . 98.2 t -67.51 -29.13 44.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.299 -0.875 . . . . 0.0 109.689 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.466 ' O ' ' OG1' ' B' ' 82' ' ' THR . 5.9 m -76.2 -39.08 55.56 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.261 -0.899 . . . . 0.0 109.786 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' MET . . . . . 0.528 ' HB3' ' CG1' ' B' ' 52' ' ' VAL . 0.1 OUTLIER -60.86 -50.86 71.73 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.302 -0.874 . . . . 0.0 110.006 -179.74 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . 0.523 HG22 ' CG2' ' B' ' 36' ' ' ILE . 2.6 m -69.23 -39.36 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.178 -0.951 . . . . 0.0 110.188 -179.297 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.471 ' OG1' ' O ' ' B' ' 77' ' ' VAL . 25.5 m -67.19 -14.11 62.59 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.992 -1.067 . . . . 0.0 109.335 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.477 ' HB ' ' HG2' ' A' ' 71' ' ' GLN . 2.2 p -103.85 -13.28 16.46 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.285 -0.884 . . . . 0.0 109.286 179.66 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.547 0 O-C-N 121.217 -0.927 . . . . 0.0 109.702 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.543 ' HB2' ' CG2' ' B' ' 13' ' ' VAL . 55.4 mm-40 -73.99 -43.07 59.32 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.275 -0.89 . . . . 0.0 109.435 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.496 HD23 ' CD1' ' B' ' 35' ' ' LEU . 3.3 tp -65.56 -38.98 91.11 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.347 -0.845 . . . . 0.0 110.053 -179.548 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.531 ' O ' HG22 ' A' ' 8' ' ' VAL . 1.1 tm-20 -66.33 -56.28 11.89 Favored 'General case' 0 C--N 1.295 -1.766 0 O-C-N 120.939 -1.101 . . . . 0.0 110.32 -178.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.536 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 8.6 ptmt -62.06 -28.82 69.87 Favored 'General case' 0 C--N 1.297 -1.688 0 O-C-N 120.643 -1.286 . . . . 0.0 109.673 -179.484 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.547 ' HA ' ' HA ' ' B' ' 6' ' ' ALA . . . -81.33 -73.58 0.37 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.106 -0.996 . . . . 0.0 110.361 -179.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.543 ' HB3' ' OE2' ' B' ' 39' ' ' GLU . 9.6 tpp -49.5 -54.47 17.72 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.599 -0.688 . . . . 0.0 109.776 -179.519 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.531 HG22 ' O ' ' A' ' 4' ' ' GLU . 6.6 t -62.34 -29.8 47.54 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.576 0 O-C-N 121.405 -0.809 . . . . 0.0 110.231 -179.072 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.536 ' CB ' ' O ' ' A' ' 5' ' ' LYS . . . -64.86 -37.47 87.73 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.656 -1.278 . . . . 0.0 108.935 179.668 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.5 ' N ' ' HB3' ' B' ' 6' ' ' ALA . 0.2 OUTLIER -55.64 -50.51 70.02 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.301 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.465 HG21 HD11 ' A' ' 11' ' ' ILE . 28.0 mm -49.2 -34.34 7.01 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 178.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.441 ' HB3' ' O ' ' A' ' 9' ' ' ALA . 36.5 t0 -57.71 -53.63 56.0 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 179.294 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.526 ' CG2' ' HB2' ' B' ' 2' ' ' GLU . 67.4 t -48.25 -30.96 2.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.328 -0.857 . . . . 0.0 109.032 179.548 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.682 ' CE1' ' CD2' ' A' ' 73' ' ' PHE . 0.3 OUTLIER -61.31 -47.62 85.1 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.272 -0.893 . . . . 0.0 109.529 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -64.9 -10.75 31.1 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.248 -0.907 . . . . 0.0 109.545 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -93.93 -71.26 0.67 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.241 -0.912 . . . . 0.0 109.697 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -67.75 -51.93 43.32 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.327 -0.858 . . . . 0.0 109.729 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.483 ' HB2' ' HG ' ' A' ' 27' ' ' LEU . 8.3 t . . . . . 0 N--CA 1.49 1.55 0 O-C-N 121.146 -0.971 . . . . 0.0 109.817 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 30.4 m80 . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 121.327 0.584 . . . . 0.0 109.538 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -150.04 129.61 13.1 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.249 -0.907 . . . . 0.0 109.258 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.547 ' CD2' ' HB3' ' A' ' 31' ' ' GLU . 0.2 OUTLIER -105.12 -157.1 0.6 Allowed 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.364 -0.835 . . . . 0.0 109.412 -179.781 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.521 ' O ' ' CB ' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -145.53 170.51 16.26 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.305 -0.872 . . . . 0.0 108.939 179.838 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.482 ' HD2' ' HA3' ' A' ' 66' ' ' GLY . 4.1 mtpm? -79.01 -28.35 43.34 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.169 -0.957 . . . . 0.0 109.097 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.5 t -79.41 -35.45 40.57 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.459 -0.775 . . . . 0.0 109.422 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.547 ' HB3' ' CD2' ' A' ' 27' ' ' LEU . 0.4 OUTLIER -86.85 -21.1 26.6 Favored 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 179.197 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.521 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 23.3 tp -78.77 -35.19 44.87 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 107.427 -1.324 . . . . 0.0 107.427 178.307 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.405 ' HA ' HD12 ' A' ' 60' ' ' LEU . 7.3 ttpp -62.37 -44.28 96.83 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 178.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.517 ' HG3' ' N ' ' A' ' 35' ' ' LEU . 5.9 pt-20 -68.42 -40.28 81.28 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 179.159 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.517 ' N ' ' HG3' ' A' ' 34' ' ' GLU . 0.1 OUTLIER -49.89 -50.91 44.25 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 179.154 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.541 ' CG2' HG22 ' A' ' 80' ' ' VAL . 0.7 OUTLIER -64.51 -56.92 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 CA-C-O 121.813 0.816 . . . . 0.0 109.196 179.66 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.492 ' ND2' ' O ' ' A' ' 37' ' ' ASN . 4.8 t30 -63.87 1.94 0.57 Allowed 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.441 -0.787 . . . . 0.0 110.615 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.429 ' H ' ' C ' ' A' ' 36' ' ' ILE . 4.4 t30 -87.01 -52.05 5.67 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.697 -1.252 . . . . 0.0 108.713 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.57 ' HG2' ' N ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -106.14 -49.68 3.32 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 179.352 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.614 ' CD2' ' CG2' ' A' ' 80' ' ' VAL . 9.2 mp -58.29 -44.61 88.59 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.596 -0.69 . . . . 0.0 109.945 -178.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.487 ' HB3' ' O ' ' A' ' 37' ' ' ASN . 2.1 t -41.63 -28.18 0.13 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.531 -0.731 . . . . 0.0 109.562 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.442 ' N ' ' O ' ' A' ' 40' ' ' LEU . 1.5 t-80 -58.41 -54.34 48.09 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.203 -0.936 . . . . 0.0 109.47 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.521 ' CD1' ' N ' ' A' ' 43' ' ' PHE . 0.8 OUTLIER -75.44 0.69 16.21 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.134 -0.979 . . . . 0.0 109.732 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.414 ' HB2' ' HA ' ' A' ' 41' ' ' SER . 2.6 tt -75.06 106.02 6.37 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.19 -0.944 . . . . 0.0 109.632 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.49 -45.1 0.11 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.403 -0.811 . . . . 0.0 109.245 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -123.41 -40.97 2.32 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.324 -0.86 . . . . 0.0 109.04 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 70.0 mt 60.16 85.77 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.479 -0.763 . . . . 0.0 109.811 179.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.7 tttm -61.57 -41.9 98.07 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.2 -0.938 . . . . 0.0 108.98 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.459 ' HB3' ' HB ' ' A' ' 52' ' ' VAL . 8.3 mm-40 -89.89 77.23 7.0 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.456 -0.778 . . . . 0.0 109.083 179.616 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.466 ' O ' ' HB2' ' A' ' 54' ' ' ASP . 4.9 tt0 -62.92 -26.72 68.94 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.266 -0.896 . . . . 0.0 109.694 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -76.41 -28.94 56.87 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.088 -1.008 . . . . 0.0 109.661 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.459 ' HB ' ' HB3' ' A' ' 49' ' ' GLU . 81.8 t -72.89 -51.29 27.68 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.126 -0.984 . . . . 0.0 109.609 -179.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.453 HG21 HG11 ' A' ' 80' ' ' VAL . 77.4 t -72.55 -28.0 27.09 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.176 -0.953 . . . . 0.0 109.309 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.471 ' O ' ' HG3' ' A' ' 58' ' ' GLU . 1.2 m-20 -77.29 -20.15 55.46 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.146 -0.971 . . . . 0.0 108.734 179.375 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.06 -53.72 6.72 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.328 -0.858 . . . . 0.0 109.023 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.518 ' CG1' ' SD ' ' A' ' 79' ' ' MET . 11.4 m -67.4 -41.0 85.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.098 -1.001 . . . . 0.0 108.84 179.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -66.86 -24.77 66.17 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' A' ' 54' ' ' ASP . 0.3 OUTLIER -72.41 -55.18 7.46 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.415 -0.803 . . . . 0.0 109.214 179.623 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.63 -27.33 68.59 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.075 -1.016 . . . . 0.0 108.362 179.356 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 33' ' ' LYS . 9.7 mt -65.77 -52.81 47.8 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.684 -0.635 . . . . 0.0 109.456 179.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.74 -14.87 61.2 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.538 -0.726 . . . . 0.0 110.001 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -66.1 -63.4 1.09 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.153 -0.967 . . . . 0.0 109.642 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.464 ' HB2' ' HE3' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -82.38 -68.91 0.66 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.348 -0.845 . . . . 0.0 109.623 -179.875 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 90.74 -39.88 3.05 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.531 -1.427 . . . . 0.0 109.531 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -124.36 49.45 1.8 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.232 -1.158 . . . . 0.0 109.335 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.482 ' HA3' ' HD2' ' A' ' 29' ' ' LYS . . . -108.94 -171.13 20.9 Favored Glycine 0 N--CA 1.486 1.991 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -124.78 142.18 51.59 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.252 -1.146 . . . . 0.0 109.586 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 56.1 m -113.42 162.68 15.82 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.257 -0.902 . . . . 0.0 109.372 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -92.68 172.29 8.45 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.218 -0.926 . . . . 0.0 109.455 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.615 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 24.8 p90 -70.13 -39.12 75.61 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.222 -0.924 . . . . 0.0 109.319 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.615 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -78.49 -29.31 46.63 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.274 -0.891 . . . . 0.0 109.381 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.87 -59.0 3.63 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.135 -0.978 . . . . 0.0 109.0 179.588 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.682 ' CD2' ' CE1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -51.23 -22.08 2.47 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.223 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.568 ' HA ' ' CE ' ' A' ' 74' ' ' MET . 0.6 OUTLIER -74.56 -64.45 1.03 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.373 -0.829 . . . . 0.0 109.794 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.496 ' O ' ' HG2' ' A' ' 79' ' ' MET . . . -58.99 -15.28 12.29 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.426 -0.796 . . . . 0.0 109.571 -179.365 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.501 ' O ' HG23 ' A' ' 80' ' ' VAL . 0.1 OUTLIER -79.64 -46.85 16.42 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.496 -0.753 . . . . 0.0 109.345 179.673 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.496 ' O ' ' OG1' ' A' ' 81' ' ' THR . 76.6 t -63.97 -27.93 43.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.368 -0.832 . . . . 0.0 110.225 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.44 ' HA ' ' HE2' ' B' ' 7' ' ' MET . 16.4 m -80.2 -45.76 17.49 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.115 -0.991 . . . . 0.0 111.341 -178.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.518 ' SD ' ' CG1' ' A' ' 56' ' ' VAL . 5.3 ptm -56.77 -38.23 72.2 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.91 -1.119 . . . . 0.0 111.15 -178.373 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.614 ' CG2' ' CD2' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -77.73 -33.36 18.82 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.026 -1.046 . . . . 0.0 110.823 -179.12 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.532 ' N ' HD22 ' A' ' 40' ' ' LEU . 1.7 m -65.31 -13.87 59.47 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 120.726 -1.234 . . . . 0.0 109.628 -179.547 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.468 ' CG2' ' HA ' ' B' ' 71' ' ' GLN . 1.5 p -105.1 -14.68 15.31 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.221 -0.924 . . . . 0.0 109.426 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.441 ' HB3' ' CG1' ' A' ' 52' ' ' VAL . . . . . . . . 0 N--CA 1.492 1.625 0 O-C-N 121.329 -0.857 . . . . 0.0 109.453 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.488 1.45 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.526 ' HB2' ' CG2' ' A' ' 13' ' ' VAL . 55.6 mm-40 -73.88 -42.93 59.99 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.233 -0.917 . . . . 0.0 109.532 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.499 ' HG ' ' OE1' ' A' ' 39' ' ' GLU . 3.3 tp -65.61 -38.99 91.02 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.346 -0.847 . . . . 0.0 110.108 -179.608 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . 0.522 ' O ' HG22 ' B' ' 8' ' ' VAL . 1.1 tm-20 -66.34 -56.25 12.01 Favored 'General case' 0 C--N 1.294 -1.826 0 O-C-N 120.973 -1.079 . . . . 0.0 110.31 -178.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.539 ' O ' ' CB ' ' B' ' 9' ' ' ALA . 8.6 ptmt -62.09 -28.77 69.85 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 120.704 -1.248 . . . . 0.0 109.694 -179.498 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . 0.547 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . . . -81.3 -73.54 0.37 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.119 -0.988 . . . . 0.0 110.33 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' MET . . . . . 0.565 ' HB3' ' OE2' ' A' ' 39' ' ' GLU . 9.5 tpp -49.62 -54.36 18.86 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.537 -0.727 . . . . 0.0 109.757 -179.417 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . 0.522 HG22 ' O ' ' B' ' 4' ' ' GLU . 6.7 t -62.52 -29.75 47.56 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.593 0 O-C-N 121.305 -0.872 . . . . 0.0 110.197 -179.028 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . 0.539 ' CB ' ' O ' ' B' ' 5' ' ' LYS . . . -64.85 -37.37 87.41 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.729 -1.232 . . . . 0.0 108.903 179.671 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.508 ' N ' ' HB3' ' A' ' 6' ' ' ALA . 0.2 OUTLIER -55.76 -50.58 70.01 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 179.263 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 28.1 mm -49.07 -34.38 6.52 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . 0.437 ' HB3' ' O ' ' B' ' 9' ' ' ALA . 36.5 t0 -57.66 -53.62 56.1 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 179.262 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . 0.543 ' CG2' ' HB2' ' A' ' 2' ' ' GLU . 67.4 t -48.34 -30.93 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.375 -0.828 . . . . 0.0 108.954 179.63 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.681 ' CE1' ' CD2' ' B' ' 73' ' ' PHE . 0.3 OUTLIER -61.25 -47.73 84.69 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.215 -0.928 . . . . 0.0 109.39 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -64.85 -10.77 30.84 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.198 -0.939 . . . . 0.0 109.557 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -93.9 -71.26 0.67 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.314 -0.866 . . . . 0.0 109.661 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -67.81 -51.88 43.46 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.306 -0.871 . . . . 0.0 109.858 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.482 ' HB2' ' HG ' ' B' ' 27' ' ' LEU . 8.4 t . . . . . 0 N--CA 1.493 1.697 0 O-C-N 121.225 -0.922 . . . . 0.0 109.83 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 30.4 m80 . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.3 0.571 . . . . 0.0 109.62 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -150.03 129.56 13.06 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.305 -0.872 . . . . 0.0 109.192 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.537 ' CD2' ' HB3' ' B' ' 31' ' ' GLU . 0.2 OUTLIER -105.05 -157.13 0.6 Allowed 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.272 -0.893 . . . . 0.0 109.352 -179.77 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.521 ' O ' ' CB ' ' B' ' 32' ' ' LEU . 0.1 OUTLIER -145.51 170.54 16.2 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.815 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.489 ' HD2' ' HA3' ' B' ' 66' ' ' GLY . 4.1 mtpm? -79.03 -28.38 43.29 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.179 -0.95 . . . . 0.0 109.1 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 5.5 t -79.36 -35.32 41.06 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.333 -0.855 . . . . 0.0 109.504 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.537 ' HB3' ' CD2' ' B' ' 27' ' ' LEU . 0.4 OUTLIER -86.95 -21.05 26.46 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 179.179 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.521 ' CB ' ' O ' ' B' ' 28' ' ' LYS . 23.2 tp -78.81 -35.13 44.69 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 178.365 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 7.4 ttpp -62.42 -44.25 96.87 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 178.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.516 ' HG3' ' N ' ' B' ' 35' ' ' LEU . 5.9 pt-20 -68.41 -40.23 81.33 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 179.197 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.516 ' N ' ' HG3' ' B' ' 34' ' ' GLU . 0.1 OUTLIER -49.91 -51.1 43.37 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 179.145 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.543 ' CG2' HG22 ' B' ' 80' ' ' VAL . 0.7 OUTLIER -64.31 -56.89 13.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.413 -0.804 . . . . 0.0 109.252 179.654 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' B' ' 37' ' ' ASN . 4.9 t30 -63.92 1.96 0.58 Allowed 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.472 -0.768 . . . . 0.0 110.726 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.421 ' H ' ' C ' ' B' ' 36' ' ' ILE . 4.4 t30 -86.96 -51.96 5.73 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.752 -1.218 . . . . 0.0 108.778 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.566 ' HG2' ' N ' ' B' ' 40' ' ' LEU . 0.0 OUTLIER -106.16 -49.73 3.31 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.334 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.605 ' CD2' ' CG2' ' B' ' 80' ' ' VAL . 9.2 mp -58.31 -44.56 88.66 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.724 -0.61 . . . . 0.0 109.923 -178.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.483 ' HB2' ' HA ' ' B' ' 37' ' ' ASN . 2.1 t -41.59 -28.16 0.12 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.495 -0.753 . . . . 0.0 109.688 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . 0.441 ' N ' ' O ' ' B' ' 40' ' ' LEU . 1.5 t-80 -58.53 -54.21 49.6 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.158 -0.963 . . . . 0.0 109.471 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . 0.544 ' CD1' ' N ' ' B' ' 43' ' ' PHE . 0.8 OUTLIER -75.51 0.67 16.44 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.227 -0.92 . . . . 0.0 109.722 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.418 ' HB2' ' HA ' ' B' ' 41' ' ' SER . 2.5 tt -75.03 106.04 6.34 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.206 -0.934 . . . . 0.0 109.597 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.46 -45.14 0.11 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.368 -0.832 . . . . 0.0 109.182 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -123.37 -41.01 2.32 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.375 -0.828 . . . . 0.0 109.116 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 69.6 mt 60.11 85.82 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.284 -0.885 . . . . 0.0 109.864 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 6.7 tttm -61.53 -42.02 98.2 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.136 -0.978 . . . . 0.0 108.98 179.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.461 ' HB3' ' HB ' ' B' ' 52' ' ' VAL . 8.4 mm-40 -89.84 77.11 7.06 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.379 -0.825 . . . . 0.0 109.172 179.586 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . 0.469 ' O ' ' HB2' ' B' ' 54' ' ' ASP . 4.9 tt0 -62.82 -26.84 68.94 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.317 -0.865 . . . . 0.0 109.672 -179.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -76.21 -29.07 57.48 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.077 -1.014 . . . . 0.0 109.754 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . 0.461 ' HB ' ' HB3' ' B' ' 49' ' ' GLU . 81.8 t -72.89 -51.18 28.15 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.263 -0.898 . . . . 0.0 109.668 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.456 HG21 HG11 ' B' ' 80' ' ' VAL . 78.1 t -72.62 -27.99 26.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.195 -0.941 . . . . 0.0 109.275 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . 0.474 ' O ' ' HG3' ' B' ' 58' ' ' GLU . 1.2 m-20 -77.32 -20.08 55.45 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.165 -0.959 . . . . 0.0 108.792 179.362 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.05 -53.63 6.82 Favored 'General case' 0 N--CA 1.486 1.331 0 O-C-N 121.248 -0.907 . . . . 0.0 109.066 179.684 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.52 ' CG1' ' SD ' ' B' ' 79' ' ' MET . 11.5 m -67.48 -41.0 85.54 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.144 -0.973 . . . . 0.0 108.89 179.464 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -66.78 -24.73 66.23 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 179.583 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . 0.474 ' HG3' ' O ' ' B' ' 54' ' ' ASP . 0.3 OUTLIER -72.46 -55.23 7.33 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.362 -0.836 . . . . 0.0 109.251 179.639 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.58 -27.36 68.58 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 179.395 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 9.7 mt -65.71 -52.92 47.5 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-O 121.5 0.667 . . . . 0.0 109.5 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.63 -14.94 61.26 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.456 -0.778 . . . . 0.0 109.941 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -66.07 -63.46 1.08 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.128 -0.983 . . . . 0.0 109.65 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.473 ' HB2' ' HE3' ' B' ' 29' ' ' LYS . 0.4 OUTLIER -82.45 -68.91 0.66 Allowed 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.323 -0.861 . . . . 0.0 109.564 -179.891 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 90.87 -39.93 3.04 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.431 -1.468 . . . . 0.0 109.431 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -124.41 49.51 1.79 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.356 -1.085 . . . . 0.0 109.376 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . 0.489 ' HA3' ' HD2' ' B' ' 29' ' ' LYS . . . -109.03 -171.16 20.84 Favored Glycine 0 N--CA 1.487 2.1 0 N-CA-C 109.625 -1.39 . . . . 0.0 109.625 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -124.86 142.11 51.67 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.289 -1.124 . . . . 0.0 109.668 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 56.1 m -113.29 162.68 15.74 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.332 -0.855 . . . . 0.0 109.406 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -92.63 172.23 8.49 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.236 -0.915 . . . . 0.0 109.404 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.616 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 24.6 p90 -70.16 -39.14 75.49 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.213 -0.93 . . . . 0.0 109.276 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . 0.616 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -78.46 -29.26 46.79 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.231 -0.918 . . . . 0.0 109.393 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.87 -59.13 3.53 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.136 -0.978 . . . . 0.0 108.978 179.58 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.681 ' CD2' ' CE1' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -51.09 -22.14 2.28 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 179.236 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' MET . . . . . 0.566 ' HA ' ' CE ' ' B' ' 74' ' ' MET . 0.6 OUTLIER -74.6 -64.43 1.03 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.39 -0.819 . . . . 0.0 109.798 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.496 ' O ' ' HG2' ' B' ' 79' ' ' MET . . . -58.95 -15.26 12.05 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.508 -0.745 . . . . 0.0 109.51 -179.349 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.501 ' O ' HG23 ' B' ' 80' ' ' VAL . 0.1 OUTLIER -79.72 -46.91 16.18 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.431 -0.793 . . . . 0.0 109.332 179.726 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.494 ' O ' ' OG1' ' B' ' 81' ' ' THR . 76.4 t -64.01 -27.84 43.64 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 121.307 -0.87 . . . . 0.0 110.227 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.45 ' HA ' ' HE2' ' A' ' 7' ' ' MET . 16.3 m -80.19 -45.77 17.49 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.073 -1.017 . . . . 0.0 111.396 -178.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' MET . . . . . 0.52 ' SD ' ' CG1' ' B' ' 56' ' ' VAL . 5.3 ptm -56.72 -38.24 72.07 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.042 -1.037 . . . . 0.0 111.104 -178.401 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . 0.605 ' CG2' ' CD2' ' B' ' 40' ' ' LEU . 0.0 OUTLIER -77.74 -33.45 18.91 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 120.942 -1.099 . . . . 0.0 110.793 -179.027 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.546 ' N ' HD22 ' B' ' 40' ' ' LEU . 1.7 m -65.22 -13.93 59.47 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.627 -1.295 . . . . 0.0 109.638 -179.527 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.506 ' CG2' ' HA ' ' A' ' 71' ' ' GLN . 1.5 p -105.01 -14.74 15.32 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.133 -0.98 . . . . 0.0 109.481 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . 0.436 ' HB3' ' CG1' ' B' ' 52' ' ' VAL . . . . . . . . 0 N--CA 1.489 1.495 0 O-C-N 121.263 -0.898 . . . . 0.0 109.588 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' SER . . . . . 0.42 ' OG ' ' HB2' ' A' ' 4' ' ' GLU . 53.1 p . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.499 ' HB2' ' CG2' ' B' ' 13' ' ' VAL . 36.5 mm-40 -80.39 -43.75 20.52 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.189 -0.944 . . . . 0.0 109.677 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.523 HD13 ' CD2' ' B' ' 10' ' ' LEU . 3.4 tp -70.14 -33.85 72.31 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.229 -0.919 . . . . 0.0 109.657 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.52 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 1.6 mt-10 -69.79 -62.56 1.33 Allowed 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.415 -0.803 . . . . 0.0 110.165 -179.399 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.535 ' HD3' ' N ' ' A' ' 6' ' ' ALA . 0.1 OUTLIER -58.73 -33.92 70.77 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.219 -0.926 . . . . 0.0 109.698 -179.218 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.535 ' N ' ' HD3' ' A' ' 5' ' ' LYS . . . -80.75 -71.1 0.48 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.034 -1.041 . . . . 0.0 110.135 -179.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.475 ' HB3' ' O ' ' A' ' 3' ' ' LEU . 6.7 tpt -47.64 -55.01 10.3 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.421 -0.799 . . . . 0.0 109.676 -179.634 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.52 ' CG2' ' O ' ' A' ' 4' ' ' GLU . 6.1 t -60.31 -34.4 57.36 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 O-C-N 121.47 -0.769 . . . . 0.0 109.367 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.525 ' CB ' ' O ' ' A' ' 5' ' ' LYS . . . -59.87 -34.51 73.23 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.136 -0.977 . . . . 0.0 108.643 179.272 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.529 HD21 ' CE ' ' A' ' 74' ' ' MET . 0.4 OUTLIER -57.43 -41.33 80.24 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.314 -0.866 . . . . 0.0 108.777 179.458 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.553 ' CD1' ' N ' ' A' ' 11' ' ' ILE . 1.4 mp -58.84 -35.06 54.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 179.422 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 13' ' ' VAL . 11.8 t0 -62.49 -52.18 64.53 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.418 -0.801 . . . . 0.0 109.429 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.499 ' CG2' ' HB2' ' B' ' 2' ' ' GLU . 54.5 t -43.68 -36.76 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.375 -0.828 . . . . 0.0 109.498 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.485 ' CE1' ' HG ' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -62.72 -47.21 84.57 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.214 -0.929 . . . . 0.0 109.623 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -73.05 -2.0 19.51 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.219 -0.926 . . . . 0.0 109.692 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.84 -44.85 8.27 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.083 -1.011 . . . . 0.0 109.584 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -87.94 -57.38 2.96 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.197 -0.94 . . . . 0.0 109.617 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.9 t . . . . . 0 N--CA 1.492 1.639 0 O-C-N 121.184 -0.948 . . . . 0.0 109.748 -179.715 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 36.0 m80 . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.315 0.578 . . . . 0.0 109.584 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.53 130.24 13.19 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.167 -0.958 . . . . 0.0 109.168 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.485 ' HG ' ' CE1' ' A' ' 14' ' ' PHE . 1.1 mt -102.0 -156.96 0.58 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.168 -0.958 . . . . 0.0 109.22 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -150.74 169.32 21.93 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.092 -1.005 . . . . 0.0 109.351 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.531 ' HE2' ' CB ' ' A' ' 63' ' ' ASP . 1.1 ptmt -78.01 -19.93 53.47 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.109 -0.994 . . . . 0.0 109.363 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.9 -44.32 20.61 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.241 -0.912 . . . . 0.0 109.029 179.566 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.482 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 7.7 tt0 -78.56 -16.87 56.94 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 179.009 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.477 ' O ' HG13 ' A' ' 36' ' ' ILE . 30.3 tp -80.31 -41.24 25.26 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 178.508 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -56.71 -44.24 81.35 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.503 ' HG3' ' N ' ' A' ' 35' ' ' LEU . 9.9 pt-20 -71.5 -39.49 70.78 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 179.233 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.503 ' N ' ' HG3' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -48.67 -42.94 36.21 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 179.625 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.477 HG13 ' O ' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -80.64 -58.32 3.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.254 -0.904 . . . . 0.0 110.114 -179.649 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.514 ' O ' ' CB ' ' A' ' 41' ' ' SER . 43.7 t-20 -68.61 -62.75 1.25 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.239 -0.913 . . . . 0.0 109.986 -179.239 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.468 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 0.3 OUTLIER -43.41 -52.22 6.09 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.139 -0.975 . . . . 0.0 110.242 -179.589 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.479 ' HB2' ' O ' ' A' ' 35' ' ' LEU . 24.4 mm-40 -79.23 -79.58 0.13 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.107 -0.996 . . . . 0.0 110.361 -179.258 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.449 ' HB2' ' O ' ' A' ' 36' ' ' ILE . 45.9 mt -58.5 -94.24 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.091 -1.005 . . . . 0.0 110.058 -179.03 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.514 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 4.3 t 52.49 20.27 1.41 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.07 -1.019 . . . . 0.0 109.536 -179.711 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -96.42 -26.13 15.44 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.151 -0.968 . . . . 0.0 109.425 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -117.2 56.14 0.83 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.322 -0.861 . . . . 0.0 109.432 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.09 54.53 1.95 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.176 -0.952 . . . . 0.0 109.591 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -99.17 -72.82 0.65 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.249 -0.907 . . . . 0.0 109.365 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.429 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 48.3 mt-10 -97.74 -24.59 15.41 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.266 -0.896 . . . . 0.0 109.397 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.429 ' HB ' ' O ' ' A' ' 46' ' ' GLU . 23.0 mt 61.04 111.51 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.252 -0.905 . . . . 0.0 109.73 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.18 -43.96 9.54 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.274 -0.891 . . . . 0.0 109.326 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.465 ' HB3' ' HB ' ' A' ' 52' ' ' VAL . 7.4 mm-40 -85.2 64.61 8.77 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.251 -0.905 . . . . 0.0 109.077 179.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.552 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 0.9 OUTLIER -46.88 -24.82 0.65 Allowed 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.19 -0.944 . . . . 0.0 110.08 -179.609 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -80.58 -41.3 24.26 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.002 -1.061 . . . . 0.0 110.424 -179.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.512 ' CG1' ' HB2' ' A' ' 79' ' ' MET . 98.2 t -69.12 -46.29 78.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.025 -1.047 . . . . 0.0 109.9 -179.41 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.402 ' CG2' ' HB2' ' A' ' 83' ' ' ALA . 59.3 t -75.14 -29.99 22.53 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 O-C-N 121.178 -0.951 . . . . 0.0 109.747 -179.679 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.552 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 33.8 t70 -80.47 -20.42 43.75 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.02 -1.05 . . . . 0.0 109.096 179.685 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.417 ' C ' ' CD ' ' A' ' 55' ' ' LYS . 0.5 OUTLIER -77.27 -43.15 34.33 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 121.197 -0.94 . . . . 0.0 109.104 179.85 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.532 HG13 ' CD2' ' A' ' 76' ' ' PHE . 7.5 m -78.16 -37.12 22.12 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 O-C-N 121.096 -1.002 . . . . 0.0 108.884 179.382 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 36.3 tpp -71.36 -23.77 61.96 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 179.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.482 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 3.9 mt-10 -75.46 -51.5 12.88 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.238 -0.914 . . . . 0.0 109.364 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.4 m -64.82 -33.1 75.19 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 179.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.519 ' CD2' ' O ' ' A' ' 29' ' ' LYS . 9.7 mt -61.52 -53.11 60.71 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 179.384 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.37 -6.95 58.83 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.46 -0.775 . . . . 0.0 109.557 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.471 ' HB2' ' O ' ' A' ' 58' ' ' GLU . 3.8 tt0 -66.97 -40.86 87.56 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.106 -0.996 . . . . 0.0 109.691 -179.706 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.531 ' CB ' ' HE2' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -125.14 -55.72 1.56 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.268 -0.895 . . . . 0.0 109.802 -179.753 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.529 ' CA ' ' HG3' ' A' ' 29' ' ' LYS . . . 89.73 -52.41 3.64 Favored Glycine 0 N--CA 1.49 2.3 0 N-CA-C 109.365 -1.494 . . . . 0.0 109.365 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -105.26 89.32 3.09 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.28 -1.13 . . . . 0.0 109.361 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.516 ' N ' ' HD3' ' A' ' 29' ' ' LYS . . . -147.25 175.71 26.48 Favored Glycine 0 N--CA 1.488 2.134 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -110.45 125.09 52.91 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.289 -1.124 . . . . 0.0 109.702 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.2 m -106.96 173.83 6.15 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.354 -0.841 . . . . 0.0 109.104 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -115.18 -176.23 2.87 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.203 -0.935 . . . . 0.0 109.198 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.468 ' CE1' ' SD ' ' A' ' 74' ' ' MET . 10.2 t80 -74.39 -49.04 24.22 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.092 -1.005 . . . . 0.0 109.277 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.449 ' CD ' ' HB ' ' B' ' 82' ' ' THR . 0.0 OUTLIER -61.86 -23.04 66.02 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.243 -0.911 . . . . 0.0 109.333 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.454 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 0.5 OUTLIER -79.28 -54.32 6.07 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.215 -0.928 . . . . 0.0 109.086 179.721 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.448 ' O ' HG21 ' A' ' 77' ' ' VAL . 0.1 OUTLIER -60.32 -21.44 62.03 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 179.261 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.529 ' CE ' HD21 ' A' ' 10' ' ' LEU . 0.7 OUTLIER -77.98 -60.1 2.51 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.376 -0.828 . . . . 0.0 109.334 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.517 ' O ' ' HG2' ' A' ' 79' ' ' MET . . . -62.49 -17.0 58.64 Favored 'General case' 0 C--N 1.302 -1.499 0 C-N-CA 119.676 -0.809 . . . . 0.0 109.48 -179.622 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.532 ' CD2' HG13 ' A' ' 56' ' ' VAL . 0.3 OUTLIER -81.47 -43.44 18.84 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.313 -0.867 . . . . 0.0 109.789 179.867 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.459 ' O ' ' OG1' ' A' ' 81' ' ' THR . 53.4 t -71.96 -25.33 23.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.339 -0.85 . . . . 0.0 110.341 -179.28 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.478 ' O ' ' OG1' ' A' ' 82' ' ' THR . 57.3 p -76.27 -52.63 9.6 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.144 -0.973 . . . . 0.0 110.758 -178.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.529 ' SD ' ' CG1' ' A' ' 56' ' ' VAL . 13.8 ptp -58.1 -42.45 85.68 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.945 -1.097 . . . . 0.0 110.281 -179.131 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 76' ' ' PHE . 9.1 m -65.2 -41.45 91.67 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 O-C-N 121.004 -1.06 . . . . 0.0 110.037 -179.705 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.459 ' OG1' ' O ' ' A' ' 77' ' ' VAL . 5.3 m -70.42 -13.21 62.04 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.998 -1.064 . . . . 0.0 109.417 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.522 ' CG2' ' HG2' ' B' ' 74' ' ' MET . 0.1 OUTLIER -100.33 1.27 41.4 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.22 -0.925 . . . . 0.0 109.61 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.406 ' HB3' ' HB2' ' A' ' 49' ' ' GLU . . . . . . . . 0 N--CA 1.487 1.397 0 O-C-N 121.161 -0.962 . . . . 0.0 109.191 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 1' ' ' SER . . . . . 0.431 ' OG ' ' HB2' ' B' ' 4' ' ' GLU . 53.1 p . . . . . 0 N--CA 1.492 1.663 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.499 ' HB2' ' CG2' ' A' ' 13' ' ' VAL . 36.4 mm-40 -80.46 -43.72 20.41 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.232 -0.917 . . . . 0.0 109.694 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.524 HD13 ' CD2' ' A' ' 10' ' ' LEU . 3.4 tp -70.08 -33.89 72.48 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.279 -0.888 . . . . 0.0 109.617 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . 0.512 ' O ' ' CG2' ' B' ' 8' ' ' VAL . 1.6 mt-10 -69.85 -62.54 1.34 Allowed 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.312 -0.867 . . . . 0.0 110.122 -179.309 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.544 ' HD3' ' N ' ' B' ' 6' ' ' ALA . 0.1 OUTLIER -58.81 -33.93 70.93 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.224 -0.923 . . . . 0.0 109.595 -179.14 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . 0.544 ' N ' ' HD3' ' B' ' 5' ' ' LYS . . . -80.8 -71.06 0.48 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.992 -1.068 . . . . 0.0 110.141 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' MET . . . . . 0.476 ' HB3' ' O ' ' B' ' 3' ' ' LEU . 6.6 tpt -47.63 -54.94 10.48 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-O 121.721 0.772 . . . . 0.0 109.628 -179.627 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . 0.512 ' CG2' ' O ' ' B' ' 4' ' ' GLU . 6.1 t -60.35 -34.36 57.34 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.579 0 C-N-CA 119.822 -0.751 . . . . 0.0 109.347 -179.697 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . 0.536 ' CB ' ' O ' ' B' ' 5' ' ' LYS . . . -59.97 -34.55 73.44 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.13 -0.981 . . . . 0.0 108.615 179.288 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.523 ' CD2' HD13 ' A' ' 3' ' ' LEU . 0.4 OUTLIER -57.29 -41.39 79.73 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.373 -0.83 . . . . 0.0 108.791 179.412 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.557 ' N ' ' CD1' ' B' ' 11' ' ' ILE . 1.4 mp -58.83 -35.15 54.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.344 -0.848 . . . . 0.0 108.778 179.417 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' B' ' 13' ' ' VAL . 11.7 t0 -62.42 -52.11 64.85 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.365 -0.835 . . . . 0.0 109.463 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . 0.499 ' CG2' ' HB2' ' A' ' 2' ' ' GLU . 54.4 t -43.68 -36.82 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.348 -0.845 . . . . 0.0 109.529 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.476 ' CE1' ' HG ' ' B' ' 27' ' ' LEU . 0.6 OUTLIER -62.66 -47.34 84.13 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.241 -0.912 . . . . 0.0 109.574 -179.898 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -72.9 -2.06 19.34 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.112 -0.993 . . . . 0.0 109.694 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.9 -44.84 8.26 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.204 -0.935 . . . . 0.0 109.603 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -87.91 -57.33 2.98 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.273 -0.892 . . . . 0.0 109.69 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 4.9 t . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.343 -0.848 . . . . 0.0 109.796 -179.76 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 35.9 m80 . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.336 0.588 . . . . 0.0 109.591 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.53 130.23 13.17 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.217 -0.927 . . . . 0.0 109.206 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.476 ' HG ' ' CE1' ' B' ' 14' ' ' PHE . 1.1 mt -102.07 -156.98 0.58 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.283 -0.886 . . . . 0.0 109.182 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -150.72 169.34 21.85 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.09 -1.006 . . . . 0.0 109.373 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.537 ' HE2' ' CB ' ' B' ' 63' ' ' ASP . 1.1 ptmt -78.05 -19.98 53.27 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.081 -1.012 . . . . 0.0 109.259 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.83 -44.3 20.79 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.236 -0.915 . . . . 0.0 109.051 179.568 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.479 ' O ' ' HG2' ' B' ' 34' ' ' GLU . 7.7 tt0 -78.63 -16.88 56.84 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 179.016 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.481 ' O ' HG13 ' B' ' 36' ' ' ILE . 30.3 tp -80.27 -41.3 25.27 Favored 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 178.493 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -56.81 -44.18 81.72 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 178.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.505 ' HG3' ' N ' ' B' ' 35' ' ' LEU . 9.9 pt-20 -71.49 -39.51 70.82 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.214 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.505 ' N ' ' HG3' ' B' ' 34' ' ' GLU . 0.2 OUTLIER -48.66 -43.03 36.31 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 179.646 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.481 HG13 ' O ' ' B' ' 32' ' ' LEU . 0.4 OUTLIER -80.6 -58.32 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.248 -0.908 . . . . 0.0 110.149 -179.693 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.532 ' O ' ' CB ' ' B' ' 41' ' ' SER . 43.7 t-20 -68.69 -62.73 1.26 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.276 -0.89 . . . . 0.0 109.901 -179.183 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.464 ' CB ' ' O ' ' B' ' 34' ' ' GLU . 0.3 OUTLIER -43.45 -52.18 6.18 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.123 -0.985 . . . . 0.0 110.221 -179.573 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.472 ' HB2' ' O ' ' B' ' 35' ' ' LEU . 24.4 mm-40 -79.3 -79.57 0.13 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.15 -0.968 . . . . 0.0 110.372 -179.254 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.45 ' HB2' ' O ' ' B' ' 36' ' ' ILE . 46.1 mt -58.46 -94.19 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.339 0 O-C-N 121.118 -0.989 . . . . 0.0 110.166 -179.114 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.532 ' CB ' ' O ' ' B' ' 37' ' ' ASN . 4.3 t 52.5 20.27 1.42 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.096 -1.003 . . . . 0.0 109.498 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -96.45 -26.24 15.38 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.248 -0.907 . . . . 0.0 109.43 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -117.05 56.09 0.82 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.251 -0.905 . . . . 0.0 109.477 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.11 54.53 1.95 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.281 -0.887 . . . . 0.0 109.557 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -99.2 -72.75 0.65 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.327 -0.858 . . . . 0.0 109.385 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . 0.432 ' O ' ' HB ' ' B' ' 47' ' ' ILE . 48.5 mt-10 -97.85 -24.49 15.41 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.339 -0.851 . . . . 0.0 109.379 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.432 ' HB ' ' O ' ' B' ' 46' ' ' GLU . 23.1 mt 60.97 111.61 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.328 -0.857 . . . . 0.0 109.708 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.26 -43.89 9.54 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.261 -0.899 . . . . 0.0 109.398 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.453 ' HB3' ' HB ' ' B' ' 52' ' ' VAL . 7.5 mm-40 -85.2 64.58 8.76 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.258 -0.901 . . . . 0.0 109.078 179.594 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . 0.554 ' O ' ' CB ' ' B' ' 54' ' ' ASP . 0.9 OUTLIER -47.0 -24.85 0.68 Allowed 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.266 -0.896 . . . . 0.0 110.022 -179.503 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -80.51 -41.18 24.7 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.988 -1.07 . . . . 0.0 110.466 -179.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . 0.508 ' CG1' ' HB2' ' B' ' 79' ' ' MET . 97.1 t -69.2 -46.39 77.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 120.984 -1.072 . . . . 0.0 109.907 -179.473 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 58.8 t -75.12 -29.89 22.47 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.259 -0.9 . . . . 0.0 109.773 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . 0.554 ' CB ' ' O ' ' B' ' 50' ' ' GLN . 33.8 t70 -80.47 -20.46 43.67 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.025 -1.047 . . . . 0.0 109.014 179.656 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . 0.415 ' C ' ' CD ' ' B' ' 55' ' ' LYS . 0.5 OUTLIER -77.26 -43.13 34.47 Favored 'General case' 0 C--N 1.306 -1.312 0 O-C-N 121.113 -0.992 . . . . 0.0 109.079 179.871 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.547 HG13 ' CD2' ' B' ' 76' ' ' PHE . 7.7 m -78.12 -37.11 22.21 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.353 0 O-C-N 121.116 -0.99 . . . . 0.0 108.954 179.373 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 36.4 tpp -71.42 -23.9 61.94 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . 0.492 ' HB2' ' O ' ' B' ' 54' ' ' ASP . 3.9 mt-10 -75.28 -51.62 12.81 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.308 -0.87 . . . . 0.0 109.326 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 1.4 m -64.77 -33.13 75.25 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 179.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.523 ' CD2' ' O ' ' B' ' 29' ' ' LYS . 9.6 mt -61.65 -52.89 62.48 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 179.414 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.44 -6.88 58.78 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.433 -0.792 . . . . 0.0 109.597 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.469 ' HB2' ' O ' ' B' ' 58' ' ' GLU . 3.8 tt0 -67.01 -40.9 87.4 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.224 -0.923 . . . . 0.0 109.664 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.537 ' CB ' ' HE2' ' B' ' 29' ' ' LYS . 0.1 OUTLIER -125.12 -55.8 1.56 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.238 -0.914 . . . . 0.0 109.829 -179.745 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . 0.517 ' CA ' ' HG3' ' B' ' 29' ' ' LYS . . . 89.76 -52.34 3.62 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.427 -1.469 . . . . 0.0 109.427 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -105.21 89.36 3.1 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.294 -1.121 . . . . 0.0 109.321 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . 0.514 ' N ' ' HD3' ' B' ' 29' ' ' LYS . . . -147.26 175.67 26.51 Favored Glycine 0 N--CA 1.488 2.106 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -110.5 125.08 52.94 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.301 -1.117 . . . . 0.0 109.666 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 3.1 m -107.02 173.83 6.15 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.33 -0.856 . . . . 0.0 109.031 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -115.1 -176.33 2.88 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.312 -0.867 . . . . 0.0 109.254 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.47 ' CE1' ' SD ' ' B' ' 74' ' ' MET . 10.3 t80 -74.34 -49.01 24.61 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.085 -1.009 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . 0.438 ' CD ' ' HB ' ' A' ' 82' ' ' THR . 0.0 OUTLIER -61.86 -23.01 66.01 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.166 -0.959 . . . . 0.0 109.346 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.462 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 0.5 OUTLIER -79.44 -54.23 6.13 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.202 -0.936 . . . . 0.0 109.095 179.757 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.446 ' O ' HG21 ' B' ' 77' ' ' VAL . 0.1 OUTLIER -60.27 -21.5 62.0 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.168 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' MET . . . . . 0.522 ' HG2' ' CG2' ' A' ' 82' ' ' THR . 0.7 OUTLIER -77.93 -60.16 2.48 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.412 -0.805 . . . . 0.0 109.4 179.862 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.517 ' O ' ' HG2' ' B' ' 79' ' ' MET . . . -62.39 -17.04 58.13 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.432 -0.793 . . . . 0.0 109.529 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.547 ' CD2' HG13 ' B' ' 56' ' ' VAL . 0.3 OUTLIER -81.51 -43.41 18.82 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.433 -0.792 . . . . 0.0 109.806 179.875 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.457 ' O ' ' OG1' ' B' ' 81' ' ' THR . 53.8 t -72.15 -25.11 23.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.301 -0.874 . . . . 0.0 110.235 -179.208 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.466 ' O ' ' OG1' ' B' ' 82' ' ' THR . 57.7 p -76.31 -52.74 9.34 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.126 -0.984 . . . . 0.0 110.737 -178.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' MET . . . . . 0.525 ' SD ' ' CG1' ' B' ' 56' ' ' VAL . 13.8 ptp -58.15 -42.39 85.83 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.868 -1.145 . . . . 0.0 110.269 -179.071 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . 0.46 HG23 ' O ' ' B' ' 76' ' ' PHE . 8.6 m -65.26 -41.45 91.53 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 O-C-N 120.97 -1.081 . . . . 0.0 109.964 -179.673 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.457 ' OG1' ' O ' ' B' ' 77' ' ' VAL . 5.2 m -70.42 -13.19 62.03 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.078 -1.014 . . . . 0.0 109.384 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.518 ' CG2' ' HG2' ' A' ' 74' ' ' MET . 0.1 OUTLIER -100.34 1.2 41.31 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.184 -0.948 . . . . 0.0 109.627 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . 0.412 ' HB3' ' HB2' ' B' ' 49' ' ' GLU . . . . . . . . 0 N--CA 1.488 1.474 0 O-C-N 121.193 -0.942 . . . . 0.0 109.194 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' SER . . . . . 0.474 ' O ' ' CG ' ' A' ' 5' ' ' LYS . 0.9 OUTLIER . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 121.302 0.572 . . . . 0.0 109.649 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.467 ' HB3' HG21 ' B' ' 13' ' ' VAL . 0.8 OUTLIER -80.34 -45.33 17.97 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.327 -0.858 . . . . 0.0 109.644 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.545 ' CB ' ' CB ' ' B' ' 39' ' ' GLU . 9.0 tp -79.78 -43.85 21.75 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.241 -0.912 . . . . 0.0 109.949 -179.617 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.551 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 7.9 tt0 -61.75 -44.6 96.59 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.011 -1.055 . . . . 0.0 110.034 -179.277 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.474 ' CG ' ' O ' ' A' ' 1' ' ' SER . 1.7 pttt -70.82 -35.93 72.7 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.645 -1.284 . . . . 0.0 110.118 -179.441 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.469 ' HB3' ' HB1' ' B' ' 9' ' ' ALA . . . -80.56 -70.11 0.55 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.1 -1.0 . . . . 0.0 110.248 -179.394 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.532 ' CE ' ' HA ' ' B' ' 78' ' ' SER . 4.3 tpt -45.79 -51.45 12.74 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.467 -0.771 . . . . 0.0 110.194 -179.3 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.551 ' CG2' ' O ' ' A' ' 4' ' ' GLU . 23.1 t -61.36 -34.81 62.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.297 -0.877 . . . . 0.0 109.443 -179.324 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.465 ' HB1' ' HB3' ' B' ' 6' ' ' ALA . . . -55.71 -38.65 70.01 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.099 -1.0 . . . . 0.0 108.805 179.313 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.411 HD13 ' SD ' ' B' ' 7' ' ' MET . 0.5 OUTLIER -58.62 -52.39 65.88 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.28 -0.887 . . . . 0.0 108.724 179.432 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.1 mp -48.98 -37.0 8.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.254 -0.904 . . . . 0.0 108.608 179.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -55.49 -50.85 68.83 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.287 -0.883 . . . . 0.0 109.512 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.453 ' HA ' ' HB2' ' A' ' 16' ' ' GLN . 46.4 t -49.51 -36.7 10.47 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.412 -0.805 . . . . 0.0 109.964 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.464 ' CD1' ' CE2' ' A' ' 70' ' ' PHE . 2.2 t80 -58.13 -44.43 87.79 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.213 -0.929 . . . . 0.0 109.657 -179.578 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -80.67 -7.51 59.34 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.144 -0.973 . . . . 0.0 109.564 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.453 ' HB2' ' HA ' ' A' ' 13' ' ' VAL . 0.6 OUTLIER -83.46 -26.45 30.28 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.236 -0.915 . . . . 0.0 109.456 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -106.66 -53.11 2.67 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.293 -0.879 . . . . 0.0 109.462 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.554 0 O-C-N 121.22 -0.925 . . . . 0.0 109.463 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.583 ' O ' ' CE1' ' A' ' 70' ' ' PHE . 23.6 m-70 . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.375 0.607 . . . . 0.0 109.433 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.443 ' HG2' ' C ' ' A' ' 25' ' ' HIS . 6.7 mttm -137.22 145.57 43.79 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.237 -0.915 . . . . 0.0 109.122 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.52 ' O ' ' CB ' ' A' ' 68' ' ' CYS . 0.1 OUTLIER -115.93 137.1 52.42 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.14 -0.975 . . . . 0.0 108.932 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.486 ' CG ' ' O ' ' A' ' 66' ' ' GLY . 0.1 OUTLIER -88.58 174.22 8.19 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.002 -1.062 . . . . 0.0 110.014 -179.34 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.533 ' O ' ' CD2' ' A' ' 60' ' ' LEU . 6.4 ptpt -76.31 -15.81 59.9 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.349 -0.844 . . . . 0.0 109.733 -179.602 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.53 -44.09 19.67 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.032 -1.042 . . . . 0.0 108.583 179.189 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.461 ' O ' ' HB2' ' A' ' 35' ' ' LEU . 4.6 tt0 -80.46 -17.25 52.24 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 178.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.461 ' O ' HG13 ' A' ' 36' ' ' ILE . 19.1 tp -80.21 -41.87 24.36 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 178.672 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.467 ' HG3' ' HB3' ' A' ' 60' ' ' LEU . 10.6 tttt -59.32 -43.7 92.65 Favored 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 178.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.544 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 13.5 pt-20 -71.94 -36.81 70.03 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 179.45 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.461 ' HB2' ' O ' ' A' ' 31' ' ' GLU . 0.1 OUTLIER -50.9 -42.45 59.23 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 121.738 -0.601 . . . . 0.0 109.503 179.866 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -81.62 -57.21 4.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.202 -0.937 . . . . 0.0 110.336 -179.431 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -68.46 -0.72 5.32 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.278 -0.889 . . . . 0.0 111.174 -178.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.544 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 1.4 t30 -110.99 -77.08 0.59 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.76 -1.212 . . . . 0.0 109.533 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.555 ' CB ' ' CB ' ' B' ' 3' ' ' LEU . 0.9 OUTLIER -49.82 -49.4 49.07 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.175 -0.953 . . . . 0.0 108.901 179.839 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.529 ' O ' ' CB ' ' A' ' 41' ' ' SER . 13.3 mt -88.72 -103.6 0.09 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.128 -0.983 . . . . 0.0 108.743 179.417 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.529 ' CB ' ' O ' ' A' ' 40' ' ' LEU . 0.4 OUTLIER 81.23 -42.0 0.16 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.249 -0.907 . . . . 0.0 110.666 179.254 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -67.42 -14.81 63.26 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.957 -1.089 . . . . 0.0 109.91 -179.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -108.22 45.73 1.0 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.11 -0.994 . . . . 0.0 109.972 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.556 ' O ' ' CD1' ' A' ' 44' ' ' LEU . 2.8 tm? -127.35 -6.29 5.91 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.172 -0.955 . . . . 0.0 109.524 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.423 ' HG2' ' OE1' ' A' ' 46' ' ' GLU . 25.4 pt-20 -104.08 17.54 23.89 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.975 -1.078 . . . . 0.0 109.764 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.455 ' O ' ' HG2' ' A' ' 46' ' ' GLU . 2.5 pm0 -150.12 83.47 1.38 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.122 -0.986 . . . . 0.0 109.39 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.526 ' CG2' ' HB2' ' A' ' 83' ' ' ALA . 1.6 mp -151.48 138.57 13.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.372 -0.83 . . . . 0.0 109.387 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -99.28 -21.12 16.21 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.213 -0.929 . . . . 0.0 108.803 179.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.536 ' HB3' ' CG2' ' A' ' 52' ' ' VAL . 4.0 mm-40 -84.43 69.05 10.48 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.298 -0.876 . . . . 0.0 109.06 179.667 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.562 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 39.7 tt0 -53.38 -22.24 7.21 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.233 -0.917 . . . . 0.0 109.211 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.495 ' O ' ' CB ' ' A' ' 55' ' ' LYS . 2.4 mt-10 -80.11 -34.91 37.53 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.09 -1.006 . . . . 0.0 110.045 -179.721 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.536 ' CG2' ' HB3' ' A' ' 49' ' ' GLU . 61.1 t -69.22 -48.03 70.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 120.979 -1.076 . . . . 0.0 109.702 -179.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.46 HG12 ' CD2' ' A' ' 44' ' ' LEU . 44.5 t -76.87 -34.08 22.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.126 -0.984 . . . . 0.0 109.513 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.562 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 15.4 t70 -80.18 -14.5 58.41 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.242 -0.911 . . . . 0.0 109.145 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.495 ' CB ' ' O ' ' A' ' 51' ' ' GLU . 1.4 tmtm? -80.28 -38.24 31.22 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 120.971 -1.081 . . . . 0.0 108.564 179.507 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.564 HG13 ' CE2' ' A' ' 76' ' ' PHE . 2.5 m -81.45 -32.19 11.76 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 178.246 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.441 ' HA ' ' HE1' ' A' ' 57' ' ' MET . 0.0 OUTLIER -78.25 -23.69 47.22 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.625 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.519 ' HG3' ' N ' ' A' ' 59' ' ' THR . 23.1 pt-20 -80.37 -44.06 20.05 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.185 -0.947 . . . . 0.0 108.872 179.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.519 ' N ' ' HG3' ' A' ' 58' ' ' GLU . 0.2 OUTLIER -71.67 -28.57 63.83 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 178.94 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.533 ' CD2' ' O ' ' A' ' 29' ' ' LYS . 11.4 mt -69.71 -54.15 15.18 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.585 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -80.55 -8.73 59.69 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.62 -0.675 . . . . 0.0 109.929 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.481 ' HB2' ' O ' ' A' ' 58' ' ' GLU . 4.2 tt0 -71.43 -66.05 0.67 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.121 -0.987 . . . . 0.0 109.522 -179.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -84.07 -58.34 2.81 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.331 -0.856 . . . . 0.0 109.779 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.82 -16.22 38.07 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.726 -1.35 . . . . 0.0 109.726 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -133.12 74.8 1.58 Allowed 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.233 -1.157 . . . . 0.0 109.56 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.486 ' O ' ' CG ' ' A' ' 28' ' ' LYS . . . -139.84 161.25 26.28 Favored Glycine 0 N--CA 1.488 2.151 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.482 ' HA ' ' HG3' ' A' ' 28' ' ' LYS . 3.0 mp0 -97.84 148.61 23.23 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.228 -1.16 . . . . 0.0 109.935 -179.617 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.52 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 2.8 m -128.11 174.66 9.04 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.432 -0.792 . . . . 0.0 108.943 179.537 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -120.99 -151.99 0.5 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.136 -0.977 . . . . 0.0 110.118 -179.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.583 ' CE1' ' O ' ' A' ' 25' ' ' HIS . 69.8 m-85 -92.41 -50.56 5.57 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.425 -0.797 . . . . 0.0 110.051 -179.346 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.457 ' HG2' ' OG1' ' B' ' 82' ' ' THR . 14.0 mt-30 -67.83 -16.11 63.94 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.184 -0.947 . . . . 0.0 108.974 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.463 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 0.6 OUTLIER -81.77 -58.98 2.76 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.289 -0.882 . . . . 0.0 108.756 179.137 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -21.58 65.7 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 179.188 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.467 ' HB2' ' O ' ' A' ' 70' ' ' PHE . 20.9 mmm -80.75 -55.02 5.11 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.52 -0.738 . . . . 0.0 109.608 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.447 ' O ' ' CG ' ' A' ' 79' ' ' MET . . . -68.33 -12.94 61.87 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.286 -0.884 . . . . 0.0 108.717 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.564 ' CE2' HG13 ' A' ' 56' ' ' VAL . 0.7 OUTLIER -79.95 -44.68 19.86 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 179.311 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.463 ' O ' ' OG1' ' A' ' 81' ' ' THR . 55.8 t -63.22 -27.05 42.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.425 -0.797 . . . . 0.0 109.392 179.603 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.543 ' HA ' ' CE ' ' B' ' 7' ' ' MET . 0.0 OUTLIER -77.05 -49.42 15.39 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.241 -0.912 . . . . 0.0 110.411 -179.566 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.48 ' HB3' ' CG1' ' A' ' 52' ' ' VAL . 0.7 OUTLIER -50.14 -41.8 49.53 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.056 -1.027 . . . . 0.0 110.515 -179.285 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.467 HG12 HG22 ' A' ' 56' ' ' VAL . 2.5 m -80.38 -42.73 21.51 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.066 -1.021 . . . . 0.0 111.073 -178.72 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.467 ' OG1' ' HE1' ' B' ' 7' ' ' MET . 2.0 m -73.08 -6.0 42.72 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.813 -1.179 . . . . 0.0 109.844 -179.393 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.462 ' OG1' ' O ' ' A' ' 78' ' ' SER . 75.2 p -138.38 18.57 2.75 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.131 -0.981 . . . . 0.0 109.221 179.647 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.526 ' HB2' ' CG2' ' A' ' 47' ' ' ILE . . . . . . . . 0 N--CA 1.489 1.494 0 O-C-N 121.319 -0.863 . . . . 0.0 109.22 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 1' ' ' SER . . . . . 0.473 ' O ' ' CG ' ' B' ' 5' ' ' LYS . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 121.238 0.542 . . . . 0.0 109.705 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.445 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 0.8 OUTLIER -80.35 -45.24 18.11 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.353 -0.842 . . . . 0.0 109.638 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.555 ' CB ' ' CB ' ' A' ' 39' ' ' GLU . 9.0 tp -79.84 -43.85 21.61 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.146 -0.971 . . . . 0.0 109.988 -179.645 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . 0.55 ' O ' ' CG2' ' B' ' 8' ' ' VAL . 7.9 tt0 -61.82 -44.46 96.8 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.002 -1.061 . . . . 0.0 110.126 -179.313 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.473 ' CG ' ' O ' ' B' ' 1' ' ' SER . 1.7 pttt -70.83 -35.99 72.71 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.711 -1.243 . . . . 0.0 110.091 -179.519 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . 0.465 ' HB3' ' HB1' ' A' ' 9' ' ' ALA . . . -80.55 -69.97 0.56 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.123 -0.986 . . . . 0.0 110.274 -179.371 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' MET . . . . . 0.543 ' CE ' ' HA ' ' A' ' 78' ' ' SER . 4.3 tpt -45.84 -51.54 12.78 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.447 -0.783 . . . . 0.0 110.197 -179.329 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . 0.55 ' CG2' ' O ' ' B' ' 4' ' ' GLU . 23.1 t -61.26 -34.89 62.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.212 -0.93 . . . . 0.0 109.407 -179.29 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . 0.469 ' HB1' ' HB3' ' A' ' 6' ' ' ALA . . . -55.62 -38.66 69.78 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.074 -1.016 . . . . 0.0 108.843 179.3 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.424 HD13 ' SD ' ' A' ' 7' ' ' MET . 0.5 OUTLIER -58.73 -52.3 66.3 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.279 -0.888 . . . . 0.0 108.712 179.427 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 1.1 mp -49.06 -36.94 9.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 179.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -55.45 -50.99 68.4 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.401 -0.812 . . . . 0.0 109.507 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . 0.467 HG21 ' HB3' ' A' ' 2' ' ' GLU . 46.5 t -49.49 -36.62 10.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.39 -0.819 . . . . 0.0 109.942 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.474 ' CD1' ' CE2' ' B' ' 70' ' ' PHE . 2.2 t80 -58.1 -44.47 87.69 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.145 -0.972 . . . . 0.0 109.697 -179.65 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -80.7 -7.52 59.36 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.197 -0.939 . . . . 0.0 109.546 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.44 ' HB2' ' HA ' ' B' ' 13' ' ' VAL . 0.6 OUTLIER -83.35 -26.5 30.47 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.303 -0.873 . . . . 0.0 109.409 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -106.67 -53.04 2.68 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.294 -0.879 . . . . 0.0 109.537 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.586 0 O-C-N 121.21 -0.931 . . . . 0.0 109.365 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . 0.575 ' O ' ' CE1' ' B' ' 70' ' ' PHE . 23.4 m-70 . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 121.388 0.613 . . . . 0.0 109.409 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.433 ' HG2' ' C ' ' B' ' 25' ' ' HIS . 6.7 mttm -137.16 145.45 43.78 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.265 -0.897 . . . . 0.0 109.165 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.512 ' O ' ' CB ' ' B' ' 68' ' ' CYS . 0.1 OUTLIER -115.75 137.09 52.43 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.156 -0.965 . . . . 0.0 109.007 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.495 ' HG3' ' HA ' ' B' ' 67' ' ' GLU . 0.1 OUTLIER -88.61 174.29 8.14 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.959 -1.088 . . . . 0.0 109.946 -179.311 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.523 ' O ' ' CD2' ' B' ' 60' ' ' LEU . 6.4 ptpt -76.35 -15.82 59.88 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.334 -0.854 . . . . 0.0 109.788 -179.642 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.46 -44.13 19.74 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.044 -1.035 . . . . 0.0 108.607 179.196 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.466 ' O ' ' HB2' ' B' ' 35' ' ' LEU . 4.5 tt0 -80.45 -17.29 52.14 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 178.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.451 ' O ' HG13 ' B' ' 36' ' ' ILE . 19.2 tp -80.14 -41.85 24.63 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 178.636 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.468 ' HG3' ' HB3' ' B' ' 60' ' ' LEU . 10.6 tttt -59.34 -43.69 92.72 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 178.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.541 ' O ' ' CB ' ' B' ' 38' ' ' ASN . 13.6 pt-20 -71.96 -36.73 69.95 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 179.423 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.469 ' N ' ' HG3' ' B' ' 34' ' ' GLU . 0.1 OUTLIER -50.9 -42.44 59.31 Favored 'General case' 0 C--N 1.297 -1.679 0 O-C-N 121.78 -0.575 . . . . 0.0 109.578 179.87 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.451 HG13 ' O ' ' B' ' 32' ' ' LEU . 0.3 OUTLIER -81.54 -57.23 4.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.268 -0.895 . . . . 0.0 110.324 -179.473 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -68.52 -0.7 5.37 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.196 -0.94 . . . . 0.0 111.161 -178.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.541 ' CB ' ' O ' ' B' ' 34' ' ' GLU . 1.4 t30 -111.01 -77.01 0.59 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.797 -1.189 . . . . 0.0 109.591 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.545 ' CB ' ' CB ' ' A' ' 3' ' ' LEU . 0.9 OUTLIER -49.73 -49.47 47.84 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.162 -0.961 . . . . 0.0 109.015 179.698 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.543 ' O ' ' CB ' ' B' ' 41' ' ' SER . 13.4 mt -88.66 -103.56 0.08 Allowed 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.098 -1.001 . . . . 0.0 108.855 179.324 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.543 ' CB ' ' O ' ' B' ' 40' ' ' LEU . 0.4 OUTLIER 81.21 -42.0 0.16 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.227 -0.921 . . . . 0.0 110.653 179.169 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 80.9 m-70 -67.41 -14.7 63.16 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.882 -1.136 . . . . 0.0 109.934 -179.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -108.47 45.85 1.0 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.176 -0.952 . . . . 0.0 109.808 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.553 ' O ' ' CD1' ' B' ' 44' ' ' LEU . 2.8 tm? -127.46 -6.22 5.85 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.3 -0.875 . . . . 0.0 109.399 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.429 ' HG2' ' OE1' ' B' ' 46' ' ' GLU . 25.4 pt-20 -104.07 17.53 23.91 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.943 -1.098 . . . . 0.0 109.748 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . 0.465 ' O ' ' HG2' ' B' ' 46' ' ' GLU . 2.4 pm0 -150.12 83.35 1.38 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.305 -0.872 . . . . 0.0 109.308 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.523 ' CG2' ' HB2' ' B' ' 83' ' ' ALA . 1.6 mp -151.43 138.36 13.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.292 -0.88 . . . . 0.0 109.389 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -99.1 -21.12 16.33 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.226 -0.921 . . . . 0.0 108.893 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.536 ' HB3' ' CG2' ' B' ' 52' ' ' VAL . 4.0 mm-40 -84.45 69.03 10.48 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.285 -0.885 . . . . 0.0 109.074 179.684 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . 0.551 ' O ' ' CB ' ' B' ' 54' ' ' ASP . 39.4 tt0 -53.44 -22.1 7.2 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.262 -0.899 . . . . 0.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.493 ' O ' ' CB ' ' B' ' 55' ' ' LYS . 2.4 mt-10 -80.17 -34.9 37.18 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.161 -0.962 . . . . 0.0 110.02 -179.763 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . 0.536 ' CG2' ' HB3' ' B' ' 49' ' ' GLU . 61.1 t -69.3 -47.86 71.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.019 -1.051 . . . . 0.0 109.66 -179.687 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.456 HG12 ' CD2' ' B' ' 44' ' ' LEU . 44.1 t -77.02 -34.03 21.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.136 -0.978 . . . . 0.0 109.415 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . 0.551 ' CB ' ' O ' ' B' ' 50' ' ' GLN . 15.4 t70 -80.1 -14.61 58.37 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.202 -0.936 . . . . 0.0 109.213 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . 0.506 ' O ' ' HG2' ' B' ' 58' ' ' GLU . 1.4 tmtm? -80.19 -38.24 31.62 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.959 -1.088 . . . . 0.0 108.568 179.503 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.567 HG13 ' CE2' ' B' ' 76' ' ' PHE . 2.5 m -81.49 -32.23 11.71 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 178.343 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.443 ' HA ' ' HE1' ' B' ' 57' ' ' MET . 0.0 OUTLIER -78.19 -23.77 47.44 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.705 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . 0.523 ' HG3' ' N ' ' B' ' 59' ' ' THR . 23.0 pt-20 -80.28 -44.06 20.26 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.151 -0.968 . . . . 0.0 108.979 179.683 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' THR . . . . . 0.523 ' N ' ' HG3' ' B' ' 58' ' ' GLU . 0.2 OUTLIER -71.63 -28.62 63.9 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 178.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.523 ' CD2' ' O ' ' B' ' 29' ' ' LYS . 11.4 mt -69.62 -54.15 15.36 Favored 'General case' 0 C--N 1.303 -1.419 0 CA-C-O 121.536 0.684 . . . . 0.0 109.33 179.598 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -80.52 -8.75 59.69 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.561 -0.712 . . . . 0.0 109.843 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.481 ' HB2' ' O ' ' B' ' 58' ' ' GLU . 4.2 tt0 -71.46 -66.05 0.67 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.131 -0.981 . . . . 0.0 109.611 -179.627 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -84.0 -58.34 2.82 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.264 -0.898 . . . . 0.0 109.664 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.78 -16.23 37.79 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -133.07 74.81 1.59 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.197 -1.178 . . . . 0.0 109.579 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . 0.492 ' O ' ' CG ' ' B' ' 28' ' ' LYS . . . -139.97 161.21 26.33 Favored Glycine 0 N--CA 1.489 2.192 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.495 ' HA ' ' HG3' ' B' ' 28' ' ' LYS . 2.9 mp0 -97.7 148.64 23.13 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.261 -1.141 . . . . 0.0 110.04 -179.606 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.512 ' CB ' ' O ' ' B' ' 27' ' ' LEU . 2.8 m -128.12 174.65 9.06 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.39 -0.819 . . . . 0.0 108.865 179.612 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -121.0 -151.98 0.5 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.153 -0.967 . . . . 0.0 110.103 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.575 ' CE1' ' O ' ' B' ' 25' ' ' HIS . 69.9 m-85 -92.38 -50.56 5.58 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.328 -0.858 . . . . 0.0 110.047 -179.348 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . 0.444 ' HG2' ' OG1' ' A' ' 82' ' ' THR . 13.9 mt-30 -67.83 -16.14 63.96 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.105 -0.997 . . . . 0.0 108.854 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.463 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 0.6 OUTLIER -81.81 -58.97 2.76 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 179.201 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -62.54 -21.65 65.71 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 179.237 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' MET . . . . . 0.462 ' HB2' ' O ' ' B' ' 70' ' ' PHE . 20.9 mmm -80.71 -55.06 5.09 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.472 -0.767 . . . . 0.0 109.601 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.447 ' O ' ' CG ' ' B' ' 79' ' ' MET . . . -68.23 -12.93 61.8 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.567 ' CE2' HG13 ' B' ' 56' ' ' VAL . 0.7 OUTLIER -79.96 -44.65 19.89 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.426 -0.796 . . . . 0.0 108.958 179.287 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.465 HG11 ' O ' ' B' ' 77' ' ' VAL . 55.7 t -63.23 -27.07 42.38 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.287 -0.883 . . . . 0.0 109.453 179.533 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.532 ' HA ' ' CE ' ' A' ' 7' ' ' MET . 0.0 OUTLIER -76.96 -49.59 15.16 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.216 -0.928 . . . . 0.0 110.285 -179.549 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 79' ' ' MET . . . . . 0.48 ' HB3' ' CG1' ' B' ' 52' ' ' VAL . 0.7 OUTLIER -50.19 -41.68 49.92 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.139 -0.975 . . . . 0.0 110.543 -179.155 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . 0.47 HG12 HG22 ' B' ' 56' ' ' VAL . 2.5 m -80.37 -42.76 21.55 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 120.984 -1.073 . . . . 0.0 111.117 -178.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.478 ' OG1' ' HE1' ' A' ' 7' ' ' MET . 1.9 m -73.12 -6.09 43.38 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.755 -1.215 . . . . 0.0 109.909 -179.376 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.468 ' OG1' ' O ' ' B' ' 78' ' ' SER . 75.0 p -138.24 18.57 2.77 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.226 -0.921 . . . . 0.0 109.278 179.56 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . 0.523 ' HB2' ' CG2' ' B' ' 47' ' ' ILE . . . . . . . . 0 N--CA 1.488 1.458 0 O-C-N 121.274 -0.891 . . . . 0.0 109.193 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' SER . . . . . 0.469 ' OG ' ' HB3' ' A' ' 4' ' ' GLU . 21.2 p . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.526 ' HB2' ' CG2' ' B' ' 13' ' ' VAL . 30.0 mm-40 -80.09 -42.48 23.53 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.206 -0.934 . . . . 0.0 109.659 -179.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.523 HD23 ' CD1' ' B' ' 35' ' ' LEU . 5.8 tp -80.0 -48.05 13.97 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.193 -0.942 . . . . 0.0 110.15 -179.566 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.548 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 8.0 tt0 -63.39 -38.69 92.14 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.053 -1.029 . . . . 0.0 110.137 -179.187 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.1 tptt -80.34 -38.27 30.89 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.855 -1.153 . . . . 0.0 109.837 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.466 ' HB3' ' HB1' ' B' ' 9' ' ' ALA . . . -80.26 -65.86 0.95 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.206 -0.934 . . . . 0.0 109.861 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.515 ' HE3' ' CG1' ' B' ' 77' ' ' VAL . 9.9 tpt -46.59 -52.81 12.74 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.468 -0.77 . . . . 0.0 110.033 -179.695 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.548 ' CG2' ' O ' ' A' ' 4' ' ' GLU . 22.3 t -62.74 -32.63 56.34 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.537 0 O-C-N 121.311 -0.868 . . . . 0.0 109.552 -179.53 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.467 ' HB1' ' HB3' ' B' ' 6' ' ' ALA . . . -58.76 -43.9 90.43 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.185 -0.947 . . . . 0.0 108.45 179.209 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.462 ' CD2' HD13 ' B' ' 3' ' ' LEU . 0.3 OUTLIER -50.64 -45.79 57.94 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 179.043 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -52.51 -42.69 40.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 178.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -52.71 -50.17 63.9 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.413 -0.804 . . . . 0.0 109.259 179.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.518 ' CG2' ' HB2' ' B' ' 2' ' ' GLU . 94.4 t -47.93 -35.26 4.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.374 -0.828 . . . . 0.0 109.59 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.484 ' CD1' ' CE1' ' A' ' 73' ' ' PHE . 1.1 t80 -59.99 -44.71 94.34 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.063 -1.023 . . . . 0.0 109.723 -179.787 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 20.1 t-80 -65.32 -14.89 61.83 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.185 -0.947 . . . . 0.0 109.811 -179.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.0 tp60 -89.84 -61.82 1.61 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.1 -1.0 . . . . 0.0 109.959 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.405 ' HB3' ' CD ' ' A' ' 31' ' ' GLU . 44.9 m-85 -69.06 -57.62 5.18 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.25 -0.906 . . . . 0.0 110.22 -179.399 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.46 ' OG ' ' O ' ' A' ' 26' ' ' LYS . 4.9 t . . . . . 0 N--CA 1.491 1.58 0 O-C-N 121.029 -1.044 . . . . 0.0 109.869 -179.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.46 ' O ' ' OG ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -149.24 162.03 40.84 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.273 -0.892 . . . . 0.0 109.332 -179.909 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.464 ' O ' ' HB2' ' A' ' 67' ' ' GLU . 0.6 OUTLIER -136.18 -154.57 0.57 Allowed 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.379 -0.826 . . . . 0.0 108.794 179.467 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.502 ' HA ' ' HA ' ' A' ' 67' ' ' GLU . 0.7 OUTLIER -149.43 148.79 29.87 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.227 -0.921 . . . . 0.0 108.94 179.649 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.581 ' HD2' ' N ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -58.66 -27.32 64.67 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.092 -1.005 . . . . 0.0 109.582 -179.778 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.554 ' N ' ' HG2' ' A' ' 29' ' ' LYS . 41.2 t -77.32 -38.58 50.17 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.16 -0.962 . . . . 0.0 109.953 -179.497 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.477 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 9.9 tt0 -78.64 -17.94 55.24 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 120.967 -1.083 . . . . 0.0 108.754 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.475 ' O ' HG13 ' A' ' 36' ' ' ILE . 50.9 tp -81.1 -46.72 14.53 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 178.664 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.457 ' CG ' HD11 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -54.85 -43.0 72.67 Favored 'General case' 0 N--CA 1.486 1.374 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 178.845 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.535 ' HG3' ' N ' ' A' ' 35' ' ' LEU . 8.5 pt-20 -71.1 -41.63 70.35 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 179.187 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.535 ' N ' ' HG3' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -46.41 -42.59 15.38 Favored 'General case' 0 C--N 1.299 -1.587 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 179.348 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.547 ' CG2' ' CG2' ' A' ' 80' ' ' VAL . 0.6 OUTLIER -79.8 -61.3 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.316 -0.865 . . . . 0.0 109.76 -179.756 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.473 ' O ' ' HB2' ' A' ' 41' ' ' SER . 34.1 t-20 -67.33 -64.02 0.94 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.321 -0.862 . . . . 0.0 109.994 -179.327 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.469 ' HB3' ' O ' ' A' ' 34' ' ' GLU . 10.8 t30 -41.58 -51.38 3.96 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.352 -0.842 . . . . 0.0 110.592 -179.379 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.475 ' HB2' ' O ' ' A' ' 35' ' ' LEU . 4.0 mm-40 -81.25 -83.41 0.11 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.998 -1.064 . . . . 0.0 110.813 -178.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.478 ' HG ' HD21 ' B' ' 3' ' ' LEU . 20.8 mt -46.77 -87.74 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.408 0 O-C-N 120.96 -1.087 . . . . 0.0 110.096 -179.045 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.473 ' HB2' ' O ' ' A' ' 37' ' ' ASN . 0.4 OUTLIER 44.28 58.6 3.67 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.135 -0.978 . . . . 0.0 109.653 -179.778 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 -140.97 -66.78 0.42 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.111 -0.993 . . . . 0.0 109.624 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -62.92 -12.74 27.36 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.162 -0.961 . . . . 0.0 109.399 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.501 ' CD1' ' CD1' ' A' ' 47' ' ' ILE . 0.5 OUTLIER -62.83 88.25 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.282 -0.886 . . . . 0.0 109.7 -179.785 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -134.15 -58.18 0.85 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.352 -0.842 . . . . 0.0 109.058 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.469 ' O ' ' O ' ' A' ' 47' ' ' ILE . 44.8 mt-10 -115.91 -36.96 4.0 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.483 -0.761 . . . . 0.0 108.969 179.646 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.501 ' CD1' ' CD1' ' A' ' 44' ' ' LEU . 0.0 OUTLIER 59.33 121.43 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.414 -0.804 . . . . 0.0 109.527 179.653 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.437 ' HD2' ' O ' ' A' ' 48' ' ' LYS . 2.8 tmmm? -103.48 -21.39 13.79 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.165 -0.959 . . . . 0.0 109.372 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.446 ' HB3' ' HB ' ' A' ' 52' ' ' VAL . 8.0 mm-40 -104.62 65.29 0.76 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.273 -0.892 . . . . 0.0 109.222 179.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.532 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -52.26 -22.04 4.04 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.333 -0.854 . . . . 0.0 109.509 -179.9 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.476 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -79.82 -37.34 35.31 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.245 -0.909 . . . . 0.0 109.651 -179.836 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.482 ' CG1' ' CB ' ' A' ' 79' ' ' MET . 88.1 t -67.87 -47.57 78.82 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 121.221 -0.924 . . . . 0.0 109.463 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 94.6 t -74.2 -35.03 39.42 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.177 -0.952 . . . . 0.0 109.144 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.532 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 34.5 t70 -75.1 -17.32 60.47 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.279 -0.888 . . . . 0.0 108.932 179.425 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.476 ' HB2' ' O ' ' A' ' 51' ' ' GLU . 4.1 mtpt -79.49 -48.74 13.39 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.212 -0.93 . . . . 0.0 109.482 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.587 HG13 ' CG ' ' A' ' 76' ' ' PHE . 3.0 m -72.94 -36.04 50.48 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 O-C-N 121.172 -0.955 . . . . 0.0 109.153 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 48.4 tpp -72.33 -26.3 61.88 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.476 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 3.5 mt-10 -74.8 -49.87 19.22 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.199 -0.938 . . . . 0.0 108.783 179.416 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.9 m -65.08 -25.93 68.01 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 179.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.519 ' CD2' ' O ' ' A' ' 29' ' ' LYS . 10.6 mt -68.06 -53.67 23.89 Favored 'General case' 0 C--N 1.303 -1.418 0 CA-C-O 121.551 0.691 . . . . 0.0 109.283 179.427 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.89 -7.43 58.73 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.532 -0.73 . . . . 0.0 109.8 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.4 ' HB2' ' O ' ' A' ' 58' ' ' GLU . 30.9 tt0 -80.69 -44.71 18.32 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.106 -0.996 . . . . 0.0 109.606 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.45 -73.18 0.39 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.351 -0.843 . . . . 0.0 109.508 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.46 ' HA2' ' HG3' ' A' ' 29' ' ' LYS . . . 63.32 11.16 38.81 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.741 -1.343 . . . . 0.0 109.741 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.581 ' N ' ' HD2' ' A' ' 29' ' ' LYS . 10.4 t0 -144.56 -29.52 0.47 Allowed 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.183 -1.186 . . . . 0.0 110.652 -179.385 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.473 ' O ' ' HD3' ' A' ' 29' ' ' LYS . . . -89.19 168.57 35.38 Favored Glycine 0 N--CA 1.488 2.113 0 C-N-CA 119.861 -1.161 . . . . 0.0 110.614 -178.634 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.502 ' HA ' ' HA ' ' A' ' 28' ' ' LYS . 9.4 pt-20 -101.15 168.59 9.48 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.641 -0.917 . . . . 0.0 109.987 -179.487 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 34.4 m -113.47 164.79 13.16 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.389 -0.819 . . . . 0.0 109.308 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -97.63 179.32 4.88 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.196 -0.94 . . . . 0.0 109.249 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.42 ' O ' ' HB2' ' A' ' 74' ' ' MET . 0.1 OUTLIER -80.72 -33.84 34.96 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.168 -0.957 . . . . 0.0 108.598 179.445 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.442 ' HG2' ' HB ' ' B' ' 82' ' ' THR . 11.5 mt-30 -79.78 -27.17 40.43 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 179.106 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.28 -53.96 8.67 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.329 -0.857 . . . . 0.0 108.892 179.405 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.484 ' CE1' ' CD1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -63.07 -24.34 67.86 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 179.349 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.46 ' HE2' ' HB3' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -72.05 -50.13 30.97 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.591 -0.693 . . . . 0.0 109.533 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.521 ' O ' ' CG ' ' A' ' 79' ' ' MET . . . -72.25 -16.85 61.93 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.225 -0.922 . . . . 0.0 108.97 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.587 ' CG ' HG13 ' A' ' 56' ' ' VAL . 1.0 OUTLIER -78.95 -34.23 44.6 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.406 -0.809 . . . . 0.0 109.356 179.738 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.51 ' CG1' ' HE3' ' B' ' 7' ' ' MET . 76.5 t -72.41 -26.17 24.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.229 -0.919 . . . . 0.0 109.463 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.488 ' HA ' ' CE ' ' B' ' 7' ' ' MET . 0.8 OUTLIER -77.38 -46.71 21.9 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.303 -0.873 . . . . 0.0 110.342 -179.321 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.521 ' CG ' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -54.5 -52.68 61.17 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.162 -0.962 . . . . 0.0 109.415 -179.416 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.547 ' CG2' ' CG2' ' A' ' 36' ' ' ILE . 16.9 m -65.22 -44.03 95.24 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 O-C-N 121.433 -0.792 . . . . 0.0 110.634 -179.1 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.478 ' CB ' ' HE1' ' B' ' 7' ' ' MET . 13.0 m -70.23 -4.27 20.98 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.97 -1.081 . . . . 0.0 110.039 -179.338 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.442 ' HB ' ' HG2' ' B' ' 71' ' ' GLN . 62.6 p -128.14 9.2 6.2 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.009 -1.057 . . . . 0.0 109.722 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.509 0 O-C-N 121.225 -0.922 . . . . 0.0 109.225 179.662 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 1' ' ' SER . . . . . 0.466 ' OG ' ' HB3' ' B' ' 4' ' ' GLU . 21.3 p . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.518 ' HB2' ' CG2' ' A' ' 13' ' ' VAL . 29.8 mm-40 -80.05 -42.62 23.38 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.279 -0.888 . . . . 0.0 109.699 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.515 HD23 ' CD1' ' A' ' 35' ' ' LEU . 5.8 tp -80.03 -47.98 14.03 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.289 -0.882 . . . . 0.0 110.024 -179.518 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . 0.549 ' O ' ' CG2' ' B' ' 8' ' ' VAL . 8.0 tt0 -63.41 -38.7 92.15 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 120.977 -1.077 . . . . 0.0 110.152 -179.111 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 25.2 tptt -80.4 -38.21 30.73 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.897 -1.127 . . . . 0.0 109.799 -179.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . 0.467 ' HB3' ' HB1' ' A' ' 9' ' ' ALA . . . -80.14 -65.98 0.94 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.251 -0.906 . . . . 0.0 109.847 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' MET . . . . . 0.51 ' HE3' ' CG1' ' A' ' 77' ' ' VAL . 9.9 tpt -46.62 -52.78 12.89 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.562 -0.711 . . . . 0.0 109.862 -179.589 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . 0.549 ' CG2' ' O ' ' B' ' 4' ' ' GLU . 22.5 t -62.86 -32.61 56.51 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.567 0 O-C-N 121.345 -0.847 . . . . 0.0 109.5 -179.438 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . 0.466 ' HB1' ' HB3' ' A' ' 6' ' ' ALA . . . -58.76 -43.83 90.42 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.05 -1.031 . . . . 0.0 108.509 179.12 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.468 ' CD2' HD13 ' A' ' 3' ' ' LEU . 0.3 OUTLIER -50.79 -45.61 59.25 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 179.074 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -52.58 -42.65 40.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 178.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -52.8 -50.12 64.28 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.338 -0.851 . . . . 0.0 109.178 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . 0.526 ' CG2' ' HB2' ' A' ' 2' ' ' GLU . 94.8 t -47.95 -35.23 4.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.535 -0.728 . . . . 0.0 109.663 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.477 ' CD1' ' CE1' ' B' ' 73' ' ' PHE . 1.1 t80 -59.99 -44.71 94.34 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.101 -1.0 . . . . 0.0 109.71 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 20.1 t-80 -65.27 -14.92 61.86 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.186 -0.946 . . . . 0.0 109.839 -179.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 15.0 tp60 -89.86 -61.82 1.61 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.237 -0.915 . . . . 0.0 109.989 -179.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.404 ' HB3' ' CD ' ' B' ' 31' ' ' GLU . 44.5 m-85 -69.02 -57.6 5.22 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.315 -0.866 . . . . 0.0 110.18 -179.417 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.452 ' OG ' ' O ' ' B' ' 26' ' ' LYS . 4.9 t . . . . . 0 N--CA 1.489 1.52 0 O-C-N 121.14 -0.975 . . . . 0.0 109.879 -179.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.452 ' O ' ' OG ' ' B' ' 18' ' ' SER . 0.0 OUTLIER -149.13 162.09 40.67 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.191 -0.943 . . . . 0.0 109.42 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.474 ' O ' ' HB2' ' B' ' 67' ' ' GLU . 0.6 OUTLIER -136.24 -154.62 0.57 Allowed 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.356 -0.84 . . . . 0.0 108.849 179.507 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.493 ' HA ' ' HA ' ' B' ' 67' ' ' GLU . 0.7 OUTLIER -149.36 148.78 29.9 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.22 -0.925 . . . . 0.0 109.003 179.617 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.581 ' HD2' ' N ' ' B' ' 65' ' ' ASP . 0.0 OUTLIER -58.56 -27.29 64.44 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.137 -0.977 . . . . 0.0 109.723 -179.845 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.556 ' N ' ' HG2' ' B' ' 29' ' ' LYS . 41.0 t -77.41 -38.61 49.34 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.164 -0.96 . . . . 0.0 109.936 -179.514 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.482 ' O ' ' HG2' ' B' ' 34' ' ' GLU . 9.9 tt0 -78.68 -17.92 55.17 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.021 -1.049 . . . . 0.0 108.684 179.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.473 ' O ' HG13 ' B' ' 36' ' ' ILE . 50.8 tp -81.07 -46.8 14.44 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 107.724 -1.213 . . . . 0.0 107.724 178.615 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.455 ' CG ' HD11 ' B' ' 60' ' ' LEU . 0.1 OUTLIER -54.81 -42.94 72.46 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 178.828 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.535 ' HG3' ' N ' ' B' ' 35' ' ' LEU . 8.6 pt-20 -71.06 -41.81 70.26 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 179.127 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.535 ' N ' ' HG3' ' B' ' 34' ' ' GLU . 0.2 OUTLIER -46.4 -42.64 15.39 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 179.412 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.535 ' CG2' ' CG2' ' B' ' 80' ' ' VAL . 0.6 OUTLIER -79.74 -61.22 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.351 -0.843 . . . . 0.0 109.816 -179.845 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.486 ' O ' ' HB2' ' B' ' 41' ' ' SER . 34.0 t-20 -67.44 -63.97 0.95 Allowed 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.241 -0.912 . . . . 0.0 109.956 -179.336 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.475 ' HB3' ' O ' ' B' ' 34' ' ' GLU . 10.8 t30 -41.6 -51.35 4.0 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.238 -0.914 . . . . 0.0 110.56 -179.381 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.474 ' HB2' ' O ' ' B' ' 35' ' ' LEU . 4.0 mm-40 -81.35 -83.38 0.12 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.996 -1.065 . . . . 0.0 110.794 -178.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.469 ' HG ' HD21 ' A' ' 3' ' ' LEU . 20.8 mt -46.67 -87.94 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.956 -1.09 . . . . 0.0 110.079 -179.145 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.486 ' HB2' ' O ' ' B' ' 37' ' ' ASN . 0.4 OUTLIER 44.41 58.66 3.69 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.061 -1.024 . . . . 0.0 109.565 -179.809 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -141.03 -66.83 0.42 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.222 -0.923 . . . . 0.0 109.531 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -62.92 -12.74 27.31 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.192 -0.943 . . . . 0.0 109.473 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.497 ' CD1' ' CD1' ' B' ' 47' ' ' ILE . 0.5 OUTLIER -62.72 88.27 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.336 -0.853 . . . . 0.0 109.794 -179.857 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -134.21 -58.19 0.85 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.337 -0.852 . . . . 0.0 109.109 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . 0.474 ' O ' ' O ' ' B' ' 47' ' ' ILE . 44.7 mt-10 -115.91 -36.94 4.0 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.474 -0.766 . . . . 0.0 108.985 179.653 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.497 ' CD1' ' CD1' ' B' ' 44' ' ' LEU . 0.0 OUTLIER 59.29 121.43 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.484 -0.76 . . . . 0.0 109.454 179.587 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.449 ' O ' ' HD2' ' B' ' 48' ' ' LYS . 2.8 tmmm? -103.41 -21.49 13.79 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.178 -0.951 . . . . 0.0 109.411 179.787 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.438 ' HB3' ' HB ' ' B' ' 52' ' ' VAL . 8.0 mm-40 -104.57 65.27 0.76 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.357 -0.84 . . . . 0.0 109.152 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . 0.536 ' O ' ' CB ' ' B' ' 54' ' ' ASP . 0.1 OUTLIER -52.24 -22.02 3.99 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.213 -0.929 . . . . 0.0 109.456 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.473 ' O ' ' HB2' ' B' ' 55' ' ' LYS . 0.0 OUTLIER -79.85 -37.36 35.12 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.183 -0.948 . . . . 0.0 109.666 -179.822 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . 0.489 ' CG1' ' CB ' ' B' ' 79' ' ' MET . 88.2 t -67.91 -47.55 78.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.109 -0.994 . . . . 0.0 109.528 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 94.9 t -74.17 -35.09 39.77 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 O-C-N 121.167 -0.958 . . . . 0.0 109.209 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . 0.536 ' CB ' ' O ' ' B' ' 50' ' ' GLN . 34.5 t70 -75.05 -17.27 60.52 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.266 -0.896 . . . . 0.0 108.911 179.374 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . 0.473 ' HB2' ' O ' ' B' ' 51' ' ' GLU . 4.0 mtpt -79.63 -48.71 13.28 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.233 -0.917 . . . . 0.0 109.42 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.586 HG13 ' CG ' ' B' ' 76' ' ' PHE . 3.0 m -72.85 -36.03 50.97 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 121.095 -1.003 . . . . 0.0 109.127 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 48.4 tpp -72.47 -26.26 61.74 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 179.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . 0.476 ' HB2' ' O ' ' B' ' 54' ' ' ASP . 3.5 mt-10 -74.73 -49.92 19.34 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.241 -0.912 . . . . 0.0 108.773 179.389 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 3.9 m -65.08 -25.95 68.02 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.145 -1.058 . . . . 0.0 108.145 179.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.509 ' CD2' ' O ' ' B' ' 29' ' ' LYS . 10.6 mt -68.08 -53.62 24.2 Favored 'General case' 0 C--N 1.303 -1.43 0 CA-C-O 121.482 0.658 . . . . 0.0 109.289 179.439 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.92 -7.42 58.75 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.636 -0.665 . . . . 0.0 109.837 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -80.67 -44.71 18.36 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.201 -0.937 . . . . 0.0 109.609 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.43 -73.23 0.39 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.4 -0.813 . . . . 0.0 109.564 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . 0.449 ' HA2' ' HG3' ' B' ' 29' ' ' LYS . . . 63.32 11.2 39.03 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.814 -1.314 . . . . 0.0 109.814 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.581 ' N ' ' HD2' ' B' ' 29' ' ' LYS . 10.4 t0 -144.55 -29.51 0.47 Allowed 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.181 -1.187 . . . . 0.0 110.618 -179.403 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . 0.473 ' O ' ' HD3' ' B' ' 29' ' ' LYS . . . -89.1 168.56 35.5 Favored Glycine 0 N--CA 1.487 2.045 0 C-N-CA 119.769 -1.205 . . . . 0.0 110.732 -178.673 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.493 ' HA ' ' HA ' ' B' ' 28' ' ' LYS . 9.4 pt-20 -101.15 168.56 9.5 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.562 -0.964 . . . . 0.0 110.046 -179.56 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 34.3 m -113.49 164.83 13.12 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.394 -0.816 . . . . 0.0 109.23 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -97.66 179.34 4.86 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.257 -0.902 . . . . 0.0 109.244 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.411 ' O ' ' HB2' ' B' ' 74' ' ' MET . 0.1 OUTLIER -80.61 -33.95 35.47 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.231 -0.918 . . . . 0.0 108.583 179.417 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . 0.442 ' HG2' ' HB ' ' A' ' 82' ' ' THR . 11.4 mt-30 -79.73 -27.25 40.62 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.317 -0.865 . . . . 0.0 108.687 179.154 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.35 -53.79 8.95 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.333 -0.854 . . . . 0.0 108.849 179.49 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.477 ' CE1' ' CD1' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -63.14 -24.34 67.85 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 179.363 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' MET . . . . . 0.451 ' HE3' HD11 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -71.97 -50.31 29.93 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.58 -0.7 . . . . 0.0 109.46 -179.896 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.527 ' O ' ' CG ' ' B' ' 79' ' ' MET . . . -72.2 -16.7 61.95 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.133 -0.98 . . . . 0.0 109.002 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.586 ' CG ' HG13 ' B' ' 56' ' ' VAL . 1.0 OUTLIER -79.23 -34.06 43.13 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.443 -0.786 . . . . 0.0 109.298 179.757 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.515 ' CG1' ' HE3' ' A' ' 7' ' ' MET . 76.6 t -72.45 -26.2 23.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.383 -0.823 . . . . 0.0 109.405 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.474 ' HA ' ' CE ' ' A' ' 7' ' ' MET . 0.8 OUTLIER -77.37 -46.71 21.95 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.317 -0.865 . . . . 0.0 110.389 -179.312 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 79' ' ' MET . . . . . 0.527 ' CG ' ' O ' ' B' ' 75' ' ' ALA . 0.0 OUTLIER -54.47 -52.73 60.95 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.106 -0.996 . . . . 0.0 109.389 -179.411 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . 0.535 ' CG2' ' CG2' ' B' ' 36' ' ' ILE . 17.0 m -65.23 -44.02 95.21 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 O-C-N 121.358 -0.839 . . . . 0.0 110.623 -179.099 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.474 ' HB ' ' HE1' ' A' ' 7' ' ' MET . 13.5 m -70.23 -4.25 20.84 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.93 -1.106 . . . . 0.0 109.98 -179.363 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.442 ' HB ' ' HG2' ' A' ' 71' ' ' GLN . 59.6 p -128.15 9.2 6.2 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.952 -1.093 . . . . 0.0 109.716 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.167 -0.958 . . . . 0.0 109.151 179.683 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' SER . . . . . 0.492 ' CB ' ' CD ' ' B' ' 39' ' ' GLU . 1.4 t . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.229 0.538 . . . . 0.0 109.584 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.442 ' HB3' ' CG2' ' B' ' 13' ' ' VAL . 2.4 tp10 -80.15 -37.14 34.03 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.34 -0.85 . . . . 0.0 109.465 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.5 ' CD2' ' CD2' ' B' ' 40' ' ' LEU . 16.8 tp -77.93 -51.17 10.83 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.361 -0.837 . . . . 0.0 109.708 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.55 ' CG ' HG22 ' A' ' 8' ' ' VAL . 25.5 tt0 -53.18 -51.06 63.28 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.359 -0.838 . . . . 0.0 110.096 -179.412 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.534 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -57.45 -35.0 69.56 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.116 -0.99 . . . . 0.0 110.568 -178.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.531 ' HB3' ' N ' ' B' ' 10' ' ' LEU . . . -80.73 -71.06 0.48 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.001 -1.062 . . . . 0.0 110.395 -179.066 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.514 ' CG ' ' CG2' ' B' ' 81' ' ' THR . 31.9 tpp -49.8 -53.67 23.9 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.273 -0.892 . . . . 0.0 109.675 -179.402 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.55 HG22 ' CG ' ' A' ' 4' ' ' GLU . 4.5 t -61.96 -28.17 43.82 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.535 0 O-C-N 121.442 -0.786 . . . . 0.0 109.802 -179.448 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.534 ' CB ' ' O ' ' A' ' 5' ' ' LYS . . . -66.24 -43.62 86.05 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.018 -1.051 . . . . 0.0 109.128 179.601 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.537 ' CD2' ' CE ' ' A' ' 74' ' ' MET . 0.2 OUTLIER -51.55 -43.93 62.51 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.251 -0.906 . . . . 0.0 108.731 179.719 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.582 HG12 ' CZ ' ' A' ' 70' ' ' PHE . 96.7 mt -53.07 -42.0 43.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.247 -0.908 . . . . 0.0 108.773 179.216 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 13' ' ' VAL . 11.9 t70 -54.52 -55.72 26.21 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.319 -0.863 . . . . 0.0 109.483 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.461 HG12 HD11 ' B' ' 3' ' ' LEU . 28.3 t -43.17 -32.45 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.435 -0.79 . . . . 0.0 109.484 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -63.74 -69.41 0.28 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.18 -0.95 . . . . 0.0 109.896 -179.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 4.1 t-160 -45.87 -24.51 0.4 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.138 -0.976 . . . . 0.0 109.891 -179.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.32 -52.52 12.0 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.112 -0.992 . . . . 0.0 109.73 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.538 ' CD2' ' CD2' ' A' ' 35' ' ' LEU . 27.2 m-85 -91.14 19.88 5.46 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.254 -0.904 . . . . 0.0 109.835 -179.619 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.4 t . . . . . 0 N--CA 1.491 1.575 0 O-C-N 121.06 -1.025 . . . . 0.0 109.355 179.981 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.42 ' C ' ' HG2' ' A' ' 26' ' ' LYS . 47.4 m80 . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.42 ' HG2' ' C ' ' A' ' 25' ' ' HIS . 1.9 mmmm -142.81 138.25 30.23 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.308 -0.87 . . . . 0.0 109.171 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.526 ' CD1' ' HB3' ' A' ' 31' ' ' GLU . 0.3 OUTLIER -94.5 -157.14 0.54 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.25 -0.906 . . . . 0.0 109.427 -179.916 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.516 ' HA ' ' HA ' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -150.39 167.57 26.68 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.547 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.558 ' CB ' ' HA3' ' A' ' 64' ' ' GLY . 0.0 OUTLIER -76.16 -31.45 58.56 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.911 -1.118 . . . . 0.0 108.487 179.394 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.539 ' N ' ' HD2' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -79.11 -27.69 42.93 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.485 -0.759 . . . . 0.0 109.604 179.916 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.526 ' HB3' ' CD1' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -89.82 -22.09 22.26 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 179.393 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.499 ' O ' HG13 ' A' ' 36' ' ' ILE . 2.6 tp -81.7 -37.61 27.09 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 178.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.423 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 8.4 tttt -65.41 -32.84 74.69 Favored 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 179.423 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.556 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 7.6 pt-20 -80.55 -39.03 28.49 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 179.303 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.538 ' CD2' ' CD2' ' A' ' 17' ' ' TYR . 0.1 OUTLIER -49.77 -51.68 37.46 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 179.419 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.541 ' O ' ' HB2' ' A' ' 40' ' ' LEU . 0.1 OUTLIER -80.07 -52.46 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 CA-C-O 121.921 0.867 . . . . 0.0 109.597 -179.892 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -65.55 -1.19 2.42 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.228 -0.92 . . . . 0.0 111.461 -179.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.556 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 18.1 t30 -100.09 -43.92 6.17 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.712 -1.242 . . . . 0.0 109.302 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.543 ' CG ' ' HB2' ' B' ' 4' ' ' GLU . 42.9 tp10 -117.21 -36.66 3.71 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.314 -0.866 . . . . 0.0 109.381 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.586 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -74.15 -19.59 60.51 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.441 -0.787 . . . . 0.0 109.919 -179.785 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.425 ' HA ' HD12 ' A' ' 44' ' ' LEU . 0.2 OUTLIER -70.47 -9.47 56.62 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.373 -0.83 . . . . 0.0 109.865 -179.558 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -86.65 17.01 4.17 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.089 -1.007 . . . . 0.0 109.556 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.41 ' C ' ' CD1' ' A' ' 44' ' ' LEU . 38.4 m-85 -131.92 67.05 1.53 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.214 -0.929 . . . . 0.0 109.344 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.474 ' O ' ' HB2' ' A' ' 45' ' ' GLU . 5.8 mp -142.86 -122.91 0.09 Allowed 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.273 -0.892 . . . . 0.0 109.443 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.54 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 4.9 mt-10 68.49 6.79 5.61 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.874 -1.141 . . . . 0.0 109.308 -179.637 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.54 ' CG ' ' O ' ' A' ' 45' ' ' GLU . 13.8 mt-10 -164.8 29.67 0.06 Allowed 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.421 ' C ' ' O ' ' A' ' 46' ' ' GLU . 62.3 mt -42.06 125.19 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.456 -0.778 . . . . 0.0 110.007 -179.51 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -117.47 -46.4 2.68 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.416 -0.802 . . . . 0.0 109.266 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.481 ' HB3' ' HB ' ' A' ' 52' ' ' VAL . 12.7 mm-40 -77.25 80.4 3.76 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.143 -0.973 . . . . 0.0 108.998 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.495 ' O ' ' HB2' ' A' ' 54' ' ' ASP . 29.1 tt0 -64.28 -28.19 69.55 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.386 -0.821 . . . . 0.0 109.843 -179.656 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.74 -34.41 52.57 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.067 -1.021 . . . . 0.0 110.297 -179.25 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.523 ' CG1' ' HB3' ' A' ' 79' ' ' MET . 90.6 t -71.69 -46.08 63.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.099 -1.0 . . . . 0.0 110.053 -179.475 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.467 ' O ' ' CB ' ' A' ' 57' ' ' MET . 97.0 t -77.53 -30.21 16.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.475 0 O-C-N 121.12 -0.988 . . . . 0.0 109.705 -179.698 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.527 ' O ' ' HB2' ' A' ' 58' ' ' GLU . 2.0 m-20 -80.94 -18.12 48.16 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.093 -1.005 . . . . 0.0 109.018 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -79.7 -44.59 20.54 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.025 -1.047 . . . . 0.0 109.388 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.609 ' CG1' ' CD2' ' A' ' 76' ' ' PHE . 3.2 m -80.25 -33.44 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 O-C-N 121.017 -1.052 . . . . 0.0 108.709 179.311 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.467 ' CB ' ' O ' ' A' ' 53' ' ' VAL . 0.1 OUTLIER -75.16 -22.27 58.2 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.724 -0.61 . . . . 0.0 109.545 179.832 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.527 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 4.4 mt-10 -80.03 -45.37 18.47 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.933 -1.104 . . . . 0.0 109.429 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 93.4 m -68.05 -27.54 66.6 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 179.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.431 HD21 ' HG2' ' A' ' 29' ' ' LYS . 12.7 mt -70.55 -61.99 1.56 Allowed 'General case' 0 C--N 1.304 -1.412 0 CA-C-O 121.504 0.668 . . . . 0.0 109.484 179.585 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.98 -7.57 54.01 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.815 -0.553 . . . . 0.0 110.307 -179.42 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' A' ' 58' ' ' GLU . 0.2 OUTLIER -72.91 -58.77 3.09 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.068 -1.02 . . . . 0.0 108.788 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.477 ' HB2' ' O ' ' A' ' 62' ' ' GLU . 27.6 t70 175.61 64.99 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.498 0 C-N-CA 119.926 -0.71 . . . . 0.0 109.474 179.653 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.595 ' O ' ' N ' ' A' ' 66' ' ' GLY . . . -91.18 19.97 43.21 Favored Glycine 0 N--CA 1.488 2.121 0 N-CA-C 108.853 -1.699 . . . . 0.0 108.853 179.446 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.512 ' N ' ' HE2' ' A' ' 29' ' ' LYS . 12.0 t70 -34.91 -25.18 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.919 -0.754 . . . . 0.0 111.174 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.595 ' N ' ' O ' ' A' ' 64' ' ' GLY . . . -86.43 171.16 43.46 Favored Glycine 0 N--CA 1.484 1.877 0 N-CA-C 109.351 -1.5 . . . . 0.0 109.351 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.516 ' HA ' ' HA ' ' A' ' 28' ' ' LYS . 14.6 mt-10 -76.06 157.84 32.51 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.543 -0.975 . . . . 0.0 110.745 -178.604 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.446 ' SG ' ' OE2' ' A' ' 72' ' ' GLU . 39.9 m -111.26 168.49 9.48 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 179.651 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -99.83 175.88 5.63 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.896 -1.127 . . . . 0.0 109.369 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.582 ' CZ ' HG12 ' A' ' 11' ' ' ILE . 11.0 t80 -75.3 -28.42 59.72 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.215 -0.928 . . . . 0.0 109.569 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.1 -30.99 55.6 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.324 -0.86 . . . . 0.0 110.207 -179.543 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.529 ' HG3' ' N ' ' A' ' 73' ' ' PHE . 1.4 pt-20 -76.93 -44.71 30.51 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 120.851 -1.156 . . . . 0.0 108.589 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.529 ' N ' ' HG3' ' A' ' 72' ' ' GLU . 0.1 OUTLIER -68.87 -21.46 64.26 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 178.836 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.537 ' CE ' ' CD2' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -76.03 -53.71 7.94 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.569 -0.707 . . . . 0.0 109.28 -179.895 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.5 ' O ' ' HG3' ' A' ' 79' ' ' MET . . . -71.56 -19.02 62.21 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.366 -0.834 . . . . 0.0 108.983 179.749 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.609 ' CD2' ' CG1' ' A' ' 56' ' ' VAL . 2.9 m-85 -80.42 -33.4 36.99 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.348 -0.845 . . . . 0.0 109.983 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.473 ' O ' ' OG1' ' A' ' 81' ' ' THR . 77.0 t -76.71 -28.93 17.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 120.955 -1.091 . . . . 0.0 109.773 -179.537 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 56.7 m -79.03 -34.51 43.84 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.138 -0.976 . . . . 0.0 110.009 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.523 ' HB3' ' CG1' ' A' ' 52' ' ' VAL . 2.4 mmm -64.17 -45.66 87.44 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.154 -0.966 . . . . 0.0 109.95 -179.645 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.532 ' CG2' HG22 ' A' ' 36' ' ' ILE . 16.3 m -72.19 -42.24 66.69 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 O-C-N 121.179 -0.951 . . . . 0.0 110.57 -179.142 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.489 ' CG2' ' CG ' ' B' ' 7' ' ' MET . 5.8 m -62.32 -12.48 21.15 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.954 -1.091 . . . . 0.0 109.985 -179.481 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 69.9 p -114.4 -8.52 12.83 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.075 -1.016 . . . . 0.0 109.493 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.47 ' CB ' ' HB2' ' A' ' 49' ' ' GLU . . . . . . . . 0 N--CA 1.489 1.511 0 O-C-N 121.31 -0.869 . . . . 0.0 109.601 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 1' ' ' SER . . . . . 0.438 ' CB ' ' CD ' ' A' ' 39' ' ' GLU . 1.4 t . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.295 0.569 . . . . 0.0 109.537 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.427 ' HB3' HG21 ' A' ' 13' ' ' VAL . 2.4 tp10 -80.2 -37.11 33.86 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.264 -0.897 . . . . 0.0 109.548 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.507 HD23 ' CD1' ' A' ' 35' ' ' LEU . 16.7 tp -77.97 -51.2 10.75 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.416 -0.802 . . . . 0.0 109.653 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . 0.549 ' CG ' HG22 ' B' ' 8' ' ' VAL . 25.4 tt0 -53.1 -51.08 63.01 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.403 -0.811 . . . . 0.0 110.125 -179.487 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.532 ' O ' ' CB ' ' B' ' 9' ' ' ALA . 0.0 OUTLIER -57.58 -34.96 69.76 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.124 -0.985 . . . . 0.0 110.561 -178.865 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . 0.533 ' HB3' ' N ' ' A' ' 10' ' ' LEU . . . -80.69 -71.04 0.48 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.103 -0.998 . . . . 0.0 110.463 -179.228 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' MET . . . . . 0.489 ' CG ' ' CG2' ' A' ' 81' ' ' THR . 31.9 tpp -49.76 -53.79 22.93 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.312 -0.867 . . . . 0.0 109.608 -179.399 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . 0.549 HG22 ' CG ' ' B' ' 4' ' ' GLU . 4.5 t -61.94 -28.12 43.69 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.51 0 O-C-N 121.485 -0.76 . . . . 0.0 109.82 -179.372 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . 0.532 ' CB ' ' O ' ' B' ' 5' ' ' LYS . . . -66.24 -43.58 86.18 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.034 -1.041 . . . . 0.0 109.12 179.579 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.546 ' CD2' ' CE ' ' B' ' 74' ' ' MET . 0.2 OUTLIER -51.6 -43.88 62.65 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.229 -0.919 . . . . 0.0 108.687 179.759 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.58 HG12 ' CZ ' ' B' ' 70' ' ' PHE . 96.7 mt -53.13 -42.05 44.39 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.317 -0.864 . . . . 0.0 108.754 179.246 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' B' ' 13' ' ' VAL . 11.9 t70 -54.49 -55.58 27.58 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.432 -0.793 . . . . 0.0 109.483 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . 0.451 HG12 HD13 ' B' ' 35' ' ' LEU . 28.1 t -43.29 -32.46 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 121.559 -0.713 . . . . 0.0 109.469 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -63.71 -69.35 0.28 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.354 -0.841 . . . . 0.0 109.922 -179.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 4.1 t-160 -45.91 -24.42 0.4 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.144 -0.973 . . . . 0.0 109.914 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.53 -52.34 12.15 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.138 -0.976 . . . . 0.0 109.751 -179.74 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.537 ' CD2' ' CD2' ' B' ' 35' ' ' LEU . 26.9 m-85 -91.2 19.88 5.52 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.233 -0.917 . . . . 0.0 109.811 -179.678 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 5.3 t . . . . . 0 N--CA 1.491 1.593 0 O-C-N 121.132 -0.98 . . . . 0.0 109.383 179.971 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . 0.429 ' C ' ' HG2' ' B' ' 26' ' ' LYS . 47.1 m80 . . . . . 0 N--CA 1.492 1.672 0 CA-C-O 121.317 0.579 . . . . 0.0 109.45 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.429 ' HG2' ' C ' ' B' ' 25' ' ' HIS . 1.9 mmmm -142.78 138.19 30.25 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.244 -0.91 . . . . 0.0 109.148 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.515 ' CD1' ' HB3' ' B' ' 31' ' ' GLU . 0.3 OUTLIER -94.55 -157.16 0.54 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.283 -0.885 . . . . 0.0 109.487 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.522 ' HA ' ' HA ' ' B' ' 67' ' ' GLU . 0.0 OUTLIER -150.3 167.69 26.24 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 179.545 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.553 ' CB ' ' HA3' ' B' ' 64' ' ' GLY . 0.0 OUTLIER -76.17 -31.59 58.6 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.963 -1.086 . . . . 0.0 108.426 179.399 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.531 ' N ' ' HD2' ' B' ' 29' ' ' LYS . 0.3 OUTLIER -79.03 -27.77 43.23 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.39 -0.819 . . . . 0.0 109.573 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.515 ' HB3' ' CD1' ' B' ' 27' ' ' LEU . 0.8 OUTLIER -89.78 -22.09 22.32 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 179.396 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.491 ' O ' HG13 ' B' ' 36' ' ' ILE . 2.6 tp -81.73 -37.68 26.93 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 178.736 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.433 ' HB2' ' O ' ' B' ' 29' ' ' LYS . 8.4 tttt -65.37 -32.84 74.69 Favored 'General case' 0 N--CA 1.486 1.353 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 179.395 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.553 ' O ' ' CB ' ' B' ' 38' ' ' ASN . 7.5 pt-20 -80.6 -39.02 28.29 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 179.299 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.537 ' CD2' ' CD2' ' B' ' 17' ' ' TYR . 0.1 OUTLIER -49.81 -51.7 37.7 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.457 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.539 ' O ' ' HB2' ' B' ' 40' ' ' LEU . 0.1 OUTLIER -79.99 -52.49 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 CA-C-O 121.888 0.851 . . . . 0.0 109.578 -179.906 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -65.51 -1.35 2.51 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.246 -0.909 . . . . 0.0 111.431 -179.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.553 ' CB ' ' O ' ' B' ' 34' ' ' GLU . 18.2 t30 -99.96 -43.9 6.22 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.68 -1.263 . . . . 0.0 109.372 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.52 ' CG ' ' HB2' ' A' ' 4' ' ' GLU . 43.0 tp10 -117.26 -36.63 3.71 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.37 -0.831 . . . . 0.0 109.343 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.58 ' CD2' ' N ' ' B' ' 40' ' ' LEU . 0.2 OUTLIER -74.22 -19.64 60.45 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.366 -0.834 . . . . 0.0 109.788 -179.672 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.429 ' HA ' HD12 ' B' ' 44' ' ' LEU . 0.2 OUTLIER -70.44 -9.5 56.62 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.255 -0.903 . . . . 0.0 109.921 -179.566 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -86.55 16.82 4.27 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.052 -1.03 . . . . 0.0 109.532 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . 0.421 ' C ' ' CD1' ' B' ' 44' ' ' LEU . 38.5 m-85 -131.86 67.19 1.53 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.314 -0.866 . . . . 0.0 109.339 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.473 ' O ' ' HB2' ' B' ' 45' ' ' GLU . 5.8 mp -142.89 -122.99 0.09 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.347 -0.846 . . . . 0.0 109.458 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.538 ' O ' ' CG ' ' B' ' 46' ' ' GLU . 4.9 mt-10 68.51 6.73 5.58 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.783 -1.198 . . . . 0.0 109.322 -179.604 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . 0.538 ' CG ' ' O ' ' B' ' 45' ' ' GLU . 13.7 mt-10 -164.68 29.56 0.07 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.38 -0.825 . . . . 0.0 108.801 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' B' ' 46' ' ' GLU . 61.9 mt -41.88 125.12 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.475 -0.765 . . . . 0.0 110.01 -179.566 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -117.47 -46.29 2.68 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.362 -0.836 . . . . 0.0 109.317 179.69 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.48 ' HB2' ' CB ' ' B' ' 83' ' ' ALA . 12.6 mm-40 -77.29 80.38 3.79 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.159 -0.963 . . . . 0.0 109.004 179.6 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . 0.504 ' O ' ' HB2' ' B' ' 54' ' ' ASP . 29.0 tt0 -64.38 -28.0 69.39 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.368 -0.833 . . . . 0.0 109.87 -179.616 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.74 -34.36 52.58 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.12 -0.988 . . . . 0.0 110.314 -179.361 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . 0.52 ' CG1' ' HB3' ' B' ' 79' ' ' MET . 91.0 t -71.8 -46.0 63.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.078 -1.014 . . . . 0.0 110.023 -179.446 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.474 ' O ' ' CB ' ' B' ' 57' ' ' MET . 96.4 t -77.66 -30.16 16.64 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.065 -1.022 . . . . 0.0 109.645 -179.638 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . 0.528 ' O ' ' HB2' ' B' ' 58' ' ' GLU . 2.0 m-20 -80.94 -18.07 48.35 Favored 'General case' 0 C--N 1.303 -1.446 0 C-N-CA 119.232 -0.987 . . . . 0.0 108.988 179.599 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -79.76 -44.6 20.39 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.065 -1.022 . . . . 0.0 109.337 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.619 ' CG1' ' CD2' ' B' ' 76' ' ' PHE . 3.2 m -80.28 -33.38 14.08 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.357 0 O-C-N 120.979 -1.076 . . . . 0.0 108.69 179.378 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.474 ' CB ' ' O ' ' B' ' 53' ' ' VAL . 0.1 OUTLIER -75.18 -22.21 58.18 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.81 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . 0.528 ' HB2' ' O ' ' B' ' 54' ' ' ASP . 4.4 mt-10 -80.06 -45.44 18.29 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.942 -1.098 . . . . 0.0 109.317 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 92.8 m -68.17 -27.37 66.35 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 179.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.419 HD21 ' HG2' ' B' ' 29' ' ' LYS . 12.6 mt -70.64 -61.96 1.57 Allowed 'General case' 0 C--N 1.302 -1.497 0 CA-C-O 121.492 0.663 . . . . 0.0 109.458 179.544 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.1 -7.47 53.83 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.869 -0.519 . . . . 0.0 110.253 -179.395 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.511 ' CB ' ' O ' ' B' ' 58' ' ' GLU . 0.2 OUTLIER -72.94 -58.78 3.08 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.004 -1.06 . . . . 0.0 108.681 179.931 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.477 ' HB2' ' O ' ' B' ' 62' ' ' GLU . 27.7 t70 175.62 65.01 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.519 0 C-N-CA 119.976 -0.69 . . . . 0.0 109.494 179.682 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . 0.584 ' O ' ' N ' ' B' ' 66' ' ' GLY . . . -91.13 20.0 42.88 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 108.903 -1.679 . . . . 0.0 108.903 179.372 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.505 ' N ' ' HE2' ' B' ' 29' ' ' LYS . 12.0 t70 -34.97 -25.09 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.95 -0.735 . . . . 0.0 111.258 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . 0.584 ' N ' ' O ' ' B' ' 64' ' ' GLY . . . -86.47 171.2 43.42 Favored Glycine 0 N--CA 1.483 1.83 0 N-CA-C 109.403 -1.479 . . . . 0.0 109.403 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.522 ' HA ' ' HA ' ' B' ' 28' ' ' LYS . 14.7 mt-10 -76.03 157.75 32.65 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.598 -0.943 . . . . 0.0 110.733 -178.601 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.454 ' HB3' ' CD ' ' B' ' 72' ' ' GLU . 39.6 m -111.23 168.54 9.43 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.698 -0.852 . . . . 0.0 108.698 179.594 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -99.74 175.87 5.65 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.819 -1.176 . . . . 0.0 109.349 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.58 ' CZ ' HG12 ' B' ' 11' ' ' ILE . 11.0 t80 -75.26 -28.36 59.78 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.313 -0.867 . . . . 0.0 109.597 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.14 -31.04 55.35 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.228 -0.92 . . . . 0.0 110.21 -179.557 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.543 ' HG3' ' N ' ' B' ' 73' ' ' PHE . 1.4 pt-20 -77.04 -44.59 30.22 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 120.935 -1.103 . . . . 0.0 108.452 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.543 ' N ' ' HG3' ' B' ' 72' ' ' GLU . 0.1 OUTLIER -69.05 -21.39 64.1 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 178.914 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' MET . . . . . 0.546 ' CE ' ' CD2' ' B' ' 10' ' ' LEU . 0.1 OUTLIER -76.01 -53.65 8.04 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.627 -0.671 . . . . 0.0 109.374 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.498 ' O ' ' CG ' ' B' ' 79' ' ' MET . . . -71.66 -18.94 62.15 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.286 -0.884 . . . . 0.0 108.976 179.721 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.619 ' CD2' ' CG1' ' B' ' 56' ' ' VAL . 2.9 m-85 -80.46 -33.37 36.77 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.435 -0.791 . . . . 0.0 110.026 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.477 ' O ' ' HE1' ' A' ' 7' ' ' MET . 77.5 t -76.61 -29.19 18.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.1 -1.0 . . . . 0.0 109.765 -179.594 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 55.1 m -78.87 -34.48 44.89 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.191 -0.943 . . . . 0.0 110.091 -179.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 79' ' ' MET . . . . . 0.52 ' HB3' ' CG1' ' B' ' 52' ' ' VAL . 2.4 mmm -64.17 -45.59 87.73 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 121.032 -1.043 . . . . 0.0 110.01 -179.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . 0.535 ' CG2' HG22 ' B' ' 36' ' ' ILE . 16.2 m -72.37 -42.16 65.13 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 O-C-N 121.268 -0.895 . . . . 0.0 110.572 -179.199 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.514 ' CG2' ' CG ' ' A' ' 7' ' ' MET . 5.8 m -62.26 -12.48 20.77 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.934 -1.104 . . . . 0.0 109.962 -179.544 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 69.0 p -114.41 -8.48 12.83 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.074 -1.016 . . . . 0.0 109.55 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . 0.48 ' CB ' ' HB2' ' B' ' 49' ' ' GLU . . . . . . . . 0 N--CA 1.49 1.536 0 O-C-N 121.312 -0.867 . . . . 0.0 109.537 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 121.363 0.601 . . . . 0.0 109.645 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.472 ' HB3' HG21 ' B' ' 13' ' ' VAL . 0.0 OUTLIER -73.42 -57.01 4.31 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.29 -0.881 . . . . 0.0 109.444 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.463 ' CB ' ' HB3' ' B' ' 39' ' ' GLU . 9.0 tp -61.8 -38.08 86.76 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.305 -0.872 . . . . 0.0 109.726 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.542 ' HA ' ' CD2' ' B' ' 40' ' ' LEU . 1.2 tt0 -62.46 -53.61 52.36 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.12 -0.988 . . . . 0.0 110.198 -179.333 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.471 ' O ' ' HB1' ' A' ' 9' ' ' ALA . 5.9 mttm -62.01 -36.61 82.05 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.855 -1.153 . . . . 0.0 110.7 -179.113 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.476 ' HB3' ' HB3' ' B' ' 9' ' ' ALA . . . -80.32 -70.43 0.52 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.064 -1.022 . . . . 0.0 110.453 -179.181 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.475 ' HE1' ' OG1' ' B' ' 81' ' ' THR . 0.2 OUTLIER -45.99 -53.81 9.42 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.381 -0.824 . . . . 0.0 109.874 -179.389 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.525 ' CG2' ' O ' ' A' ' 4' ' ' GLU . 33.0 t -56.9 -36.71 51.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 C-N-CA 119.527 -0.869 . . . . 0.0 109.088 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.479 ' HB3' ' HB3' ' B' ' 6' ' ' ALA . . . -52.05 -43.06 63.61 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 179.092 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.455 HD11 ' HA ' ' B' ' 7' ' ' MET . 0.2 OUTLIER -51.82 -51.84 53.59 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 179.122 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.6 mp -49.59 -39.94 14.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 179.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -50.57 -51.13 51.03 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.353 -0.842 . . . . 0.0 109.239 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.473 HG21 ' HB3' ' B' ' 2' ' ' GLU . 43.9 t -55.0 -35.08 33.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.531 -0.73 . . . . 0.0 109.447 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.516 ' CD1' ' CE1' ' A' ' 73' ' ' PHE . 19.2 t80 -63.42 -37.74 88.46 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.218 -0.926 . . . . 0.0 109.649 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 20.6 t-80 -75.6 -12.42 60.21 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.149 -0.969 . . . . 0.0 109.583 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -86.96 -53.46 4.87 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.274 -0.891 . . . . 0.0 109.411 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.583 ' CE1' HD23 ' A' ' 35' ' ' LEU . 78.9 m-85 -76.27 -25.45 54.93 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.218 -0.927 . . . . 0.0 109.907 -179.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.646 0 O-C-N 121.087 -1.008 . . . . 0.0 109.495 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.473 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 6.9 t60 . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.506 ' O ' ' CD2' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -145.29 160.69 41.12 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.062 -1.024 . . . . 0.0 109.98 -179.904 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.506 ' CD2' ' O ' ' A' ' 26' ' ' LYS . 0.6 OUTLIER -140.94 -161.11 1.16 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.414 -0.804 . . . . 0.0 109.058 179.922 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.24 163.37 37.84 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.189 -0.944 . . . . 0.0 109.623 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.45 ' HD3' ' SG ' ' A' ' 68' ' ' CYS . 19.4 mmtp -73.92 -27.01 60.82 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.379 -0.826 . . . . 0.0 109.429 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.59 -43.38 20.68 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.303 -0.873 . . . . 0.0 109.459 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.508 ' O ' ' HB2' ' A' ' 35' ' ' LEU . 2.5 tt0 -73.72 -25.07 60.02 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.236 -0.915 . . . . 0.0 108.592 179.586 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.458 ' O ' HG13 ' A' ' 36' ' ' ILE . 34.1 tp -77.65 -47.6 18.86 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 179.431 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.432 ' N ' HD23 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -57.97 -43.08 86.29 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 179.16 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.576 ' HG3' ' N ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -71.57 -31.69 67.25 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 179.599 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.583 HD23 ' CE1' ' A' ' 17' ' ' TYR . 0.1 OUTLIER -58.31 -37.12 74.44 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.586 -0.696 . . . . 0.0 109.282 179.447 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.549 ' CG2' HG22 ' A' ' 80' ' ' VAL . 0.8 OUTLIER -80.32 -57.1 5.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.354 -0.841 . . . . 0.0 110.489 -179.369 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.536 ' O ' ' CB ' ' A' ' 41' ' ' SER . 35.5 t-20 -66.22 -63.03 1.17 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.245 -0.91 . . . . 0.0 110.548 -178.681 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.537 ' CB ' ' OE1' ' A' ' 34' ' ' GLU . 1.4 t-20 -49.48 -55.73 12.24 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.931 -1.106 . . . . 0.0 110.791 -178.581 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.48 ' HG3' HD11 ' A' ' 35' ' ' LEU . 6.4 mm-40 -70.64 -75.27 0.12 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.058 -1.026 . . . . 0.0 111.232 -178.54 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.535 ' CD2' ' HA ' ' B' ' 4' ' ' GLU . 10.3 mt -61.41 -98.23 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.313 0 O-C-N 120.944 -1.097 . . . . 0.0 110.288 -178.762 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.536 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 15.3 t 40.81 41.0 1.08 Allowed 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.142 -0.973 . . . . 0.0 109.79 -179.598 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -113.16 -21.68 10.89 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.157 -0.964 . . . . 0.0 109.658 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -129.31 30.82 4.93 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.212 -0.93 . . . . 0.0 109.452 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.495 HD12 ' N ' ' A' ' 45' ' ' GLU . 0.7 OUTLIER -105.47 116.31 31.72 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.242 -0.912 . . . . 0.0 109.545 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.495 ' N ' HD12 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -143.5 -59.1 0.41 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.239 -0.913 . . . . 0.0 109.729 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.466 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 26.1 mt-10 -109.61 -23.1 11.64 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.256 -0.903 . . . . 0.0 109.539 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.466 ' HB ' ' O ' ' A' ' 46' ' ' GLU . 72.3 mt 62.85 136.96 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.256 -0.903 . . . . 0.0 109.582 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.3 tttm -109.71 -66.56 1.05 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.318 -0.863 . . . . 0.0 109.049 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.495 ' CG ' HG22 ' A' ' 52' ' ' VAL . 11.0 mm-40 -67.56 86.19 0.19 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.34 -0.85 . . . . 0.0 109.044 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.535 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 14.9 tt0 -63.22 -25.24 68.24 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.237 -0.914 . . . . 0.0 109.487 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.462 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -80.47 -33.37 36.71 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.278 -0.889 . . . . 0.0 109.919 -179.849 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.495 HG22 ' CG ' ' A' ' 49' ' ' GLU . 60.8 t -72.53 -47.37 51.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.249 -0.907 . . . . 0.0 109.807 -179.715 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.427 ' O ' ' CB ' ' A' ' 57' ' ' MET . 59.8 t -75.6 -26.26 18.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.162 -0.962 . . . . 0.0 109.236 -179.747 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.535 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 33.0 t70 -80.92 -24.97 37.84 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.403 -0.811 . . . . 0.0 109.371 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.556 ' HG3' ' N ' ' A' ' 56' ' ' VAL . 0.1 OUTLIER -77.55 -39.83 44.57 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 120.875 -1.14 . . . . 0.0 109.254 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.577 HG13 ' CE2' ' A' ' 76' ' ' PHE . 2.9 m -81.04 -34.63 13.8 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 O-C-N 121.205 -0.935 . . . . 0.0 108.721 179.428 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.427 ' CB ' ' O ' ' A' ' 53' ' ' VAL . 2.3 ttm -75.3 -25.96 58.32 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 179.55 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.486 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 72.2 mt-10 -80.08 -50.09 10.84 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.207 -0.933 . . . . 0.0 108.545 179.079 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.0 m -63.71 -29.55 70.76 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 178.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.444 ' HB2' ' O ' ' A' ' 56' ' ' VAL . 9.8 mt -67.42 -56.29 10.24 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 179.439 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.49 -0.51 37.73 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.448 -0.783 . . . . 0.0 109.748 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.465 ' HB2' ' O ' ' A' ' 58' ' ' GLU . 74.4 tt0 -79.97 -37.4 34.45 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.163 -0.961 . . . . 0.0 109.674 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.441 ' HB3' ' HG3' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -106.42 -67.77 0.92 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.344 -0.848 . . . . 0.0 109.469 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.414 ' CA ' ' HB2' ' A' ' 29' ' ' LYS . . . 85.7 -54.74 4.82 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.679 -1.368 . . . . 0.0 109.679 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -100.26 23.21 10.38 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.164 -1.198 . . . . 0.0 109.625 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -95.69 161.7 23.0 Favored Glycine 0 N--CA 1.488 2.133 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -104.1 148.22 26.52 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.23 -1.159 . . . . 0.0 109.439 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.45 ' SG ' ' HD3' ' A' ' 29' ' ' LYS . 3.4 m -117.53 173.42 6.73 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.232 -0.918 . . . . 0.0 109.574 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -108.4 -177.91 3.45 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.261 -0.899 . . . . 0.0 109.129 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.586 ' CE2' ' HG3' ' A' ' 71' ' ' GLN . 36.5 p90 -79.96 -33.06 39.85 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.004 -1.06 . . . . 0.0 109.368 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.586 ' HG3' ' CE2' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -79.02 -23.85 44.07 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.073 -1.017 . . . . 0.0 108.603 179.073 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -77.1 -54.9 5.95 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.449 -0.782 . . . . 0.0 108.898 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.516 ' CE1' ' CD1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -62.72 -25.9 68.41 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.211 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.441 ' HB2' ' O ' ' A' ' 70' ' ' PHE . 6.2 mmm -71.42 -52.01 20.84 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.579 -0.7 . . . . 0.0 109.44 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.469 ' O ' ' HG3' ' A' ' 79' ' ' MET . . . -68.39 -20.82 64.71 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.188 -0.945 . . . . 0.0 109.072 179.74 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.577 ' CE2' HG13 ' A' ' 56' ' ' VAL . 0.7 OUTLIER -74.92 -35.31 62.21 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.51 -0.744 . . . . 0.0 109.316 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.476 HG13 ' CE ' ' B' ' 7' ' ' MET . 87.6 t -73.1 -26.06 22.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.383 -0.823 . . . . 0.0 109.805 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.408 ' O ' ' OG1' ' A' ' 82' ' ' THR . 50.6 m -78.67 -41.47 31.13 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.183 -0.948 . . . . 0.0 110.572 -179.192 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.488 ' HB3' ' CG1' ' A' ' 52' ' ' VAL . 0.0 OUTLIER -61.73 -42.25 98.71 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.088 -1.007 . . . . 0.0 110.247 -179.318 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.549 HG22 ' CG2' ' A' ' 36' ' ' ILE . 3.2 m -79.92 -38.52 18.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.093 -1.004 . . . . 0.0 110.932 -179.093 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.472 ' OG1' ' HE1' ' B' ' 7' ' ' MET . 45.3 m -66.88 -6.83 17.98 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.858 -1.151 . . . . 0.0 109.892 -179.555 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.442 ' HB ' ' HG2' ' B' ' 71' ' ' GLN . 2.4 p -111.1 -26.73 9.07 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.045 -1.035 . . . . 0.0 109.727 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.656 0 O-C-N 121.273 -0.892 . . . . 0.0 109.518 -179.921 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.312 0.577 . . . . 0.0 109.726 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.473 ' HB3' HG21 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -73.45 -56.95 4.37 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.301 -0.874 . . . . 0.0 109.481 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.469 ' CB ' ' HB3' ' A' ' 39' ' ' GLU . 9.0 tp -61.76 -38.14 86.9 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.368 -0.832 . . . . 0.0 109.716 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . 0.535 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 1.2 tt0 -62.37 -53.65 51.93 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.146 -0.971 . . . . 0.0 110.229 -179.287 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.471 ' O ' ' HB1' ' B' ' 9' ' ' ALA . 5.9 mttm -62.07 -36.58 82.09 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.904 -1.123 . . . . 0.0 110.645 -179.132 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . 0.479 ' HB3' ' HB3' ' A' ' 9' ' ' ALA . . . -80.26 -70.44 0.52 Allowed 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.984 -1.072 . . . . 0.0 110.43 -179.168 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' MET . . . . . 0.476 ' CE ' HG13 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -46.08 -53.77 9.69 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.373 -0.829 . . . . 0.0 109.875 -179.282 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . 0.519 ' CG2' ' O ' ' B' ' 4' ' ' GLU . 32.3 t -56.88 -36.59 50.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 C-N-CA 119.568 -0.853 . . . . 0.0 109.151 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . 0.476 ' HB3' ' HB3' ' A' ' 6' ' ' ALA . . . -52.22 -43.04 64.05 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 179.088 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.457 HD11 ' HA ' ' A' ' 7' ' ' MET . 0.2 OUTLIER -51.79 -51.75 54.1 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.069 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 1.6 mp -49.62 -40.05 14.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 179.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -50.56 -51.06 51.59 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.379 -0.825 . . . . 0.0 109.177 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . 0.472 HG21 ' HB3' ' A' ' 2' ' ' GLU . 44.0 t -55.03 -35.06 33.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.405 -0.809 . . . . 0.0 109.463 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.512 ' CD1' ' CE1' ' B' ' 73' ' ' PHE . 19.0 t80 -63.34 -37.86 88.89 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.17 -0.956 . . . . 0.0 109.68 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 -75.62 -12.38 60.2 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.128 -0.982 . . . . 0.0 109.54 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -86.98 -53.5 4.85 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.27 -0.894 . . . . 0.0 109.43 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.584 ' CE1' HD23 ' B' ' 35' ' ' LEU . 78.8 m-85 -76.36 -25.24 54.46 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.205 -0.934 . . . . 0.0 109.882 -179.746 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.598 0 O-C-N 121.104 -0.997 . . . . 0.0 109.447 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . 0.475 ' CD2' ' O ' ' B' ' 25' ' ' HIS . 6.9 t60 . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.504 ' O ' ' CD2' ' B' ' 27' ' ' LEU . 0.0 OUTLIER -145.31 160.66 41.18 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.029 -1.044 . . . . 0.0 109.945 -179.879 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.504 ' CD2' ' O ' ' B' ' 26' ' ' LYS . 0.6 OUTLIER -140.96 -161.05 1.15 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.468 -0.77 . . . . 0.0 109.07 179.887 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.34 163.3 38.12 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.165 -0.96 . . . . 0.0 109.582 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.454 ' HD3' ' SG ' ' B' ' 68' ' ' CYS . 19.4 mmtp -73.72 -27.16 61.05 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.24 -0.912 . . . . 0.0 109.453 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.65 -43.26 20.72 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.308 -0.87 . . . . 0.0 109.489 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.512 ' O ' ' HB2' ' B' ' 35' ' ' LEU . 2.5 tt0 -73.8 -24.97 59.89 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.205 -0.934 . . . . 0.0 108.548 179.552 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.463 ' O ' HG13 ' B' ' 36' ' ' ILE . 33.9 tp -77.74 -47.57 18.74 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 179.472 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.431 ' N ' HD23 ' B' ' 60' ' ' LEU . 0.1 OUTLIER -58.05 -43.1 86.7 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 179.248 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.561 ' HG3' ' N ' ' B' ' 35' ' ' LEU . 0.1 OUTLIER -71.56 -31.72 67.31 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.672 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.584 HD23 ' CE1' ' B' ' 17' ' ' TYR . 0.1 OUTLIER -58.21 -37.12 74.2 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.552 -0.717 . . . . 0.0 109.333 179.377 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.539 ' CG2' HG22 ' B' ' 80' ' ' VAL . 0.8 OUTLIER -80.49 -56.99 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.33 -0.856 . . . . 0.0 110.455 -179.297 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.528 ' O ' ' CB ' ' B' ' 41' ' ' SER . 35.4 t-20 -66.24 -63.02 1.17 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.346 -0.846 . . . . 0.0 110.587 -178.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.526 ' CB ' ' OE1' ' B' ' 34' ' ' GLU . 1.4 t-20 -49.44 -55.74 12.1 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.958 -1.088 . . . . 0.0 110.854 -178.671 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.476 ' HG3' HD11 ' B' ' 35' ' ' LEU . 6.4 mm-40 -70.69 -75.26 0.12 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.003 -1.061 . . . . 0.0 111.16 -178.501 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.542 ' CD2' ' HA ' ' A' ' 4' ' ' GLU . 10.4 mt -61.45 -98.29 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.353 0 O-C-N 120.991 -1.068 . . . . 0.0 110.232 -178.683 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.528 ' CB ' ' O ' ' B' ' 37' ' ' ASN . 15.3 t 40.88 41.05 1.12 Allowed 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.229 -0.919 . . . . 0.0 109.708 -179.633 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -113.23 -21.72 10.84 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.089 -1.007 . . . . 0.0 109.55 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -129.26 30.93 4.93 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.244 -0.91 . . . . 0.0 109.416 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.515 HD12 ' N ' ' B' ' 45' ' ' GLU . 0.7 OUTLIER -105.54 116.44 31.95 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.216 -0.927 . . . . 0.0 109.537 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.515 ' N ' HD12 ' B' ' 44' ' ' LEU . 0.1 OUTLIER -143.59 -59.17 0.41 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.235 -0.916 . . . . 0.0 109.675 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . 0.47 ' O ' ' HB ' ' B' ' 47' ' ' ILE . 25.9 mt-10 -109.58 -23.1 11.65 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.263 -0.898 . . . . 0.0 109.482 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.47 ' HB ' ' O ' ' B' ' 46' ' ' GLU . 71.8 mt 62.91 137.04 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.284 -0.885 . . . . 0.0 109.585 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 13.2 tttm -109.78 -66.66 1.05 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.288 -0.882 . . . . 0.0 109.007 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.496 ' CG ' HG22 ' B' ' 52' ' ' VAL . 11.1 mm-40 -67.48 86.18 0.18 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.281 -0.887 . . . . 0.0 109.092 179.567 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . 0.527 ' O ' ' CB ' ' B' ' 54' ' ' ASP . 14.9 tt0 -63.3 -25.23 68.22 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.221 -0.924 . . . . 0.0 109.414 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.467 ' O ' ' HG2' ' B' ' 55' ' ' LYS . 0.6 OUTLIER -80.49 -33.44 36.55 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.225 -0.922 . . . . 0.0 109.858 -179.827 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . 0.496 HG22 ' CG ' ' B' ' 49' ' ' GLU . 60.8 t -72.5 -47.37 51.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.223 -0.923 . . . . 0.0 109.841 -179.672 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.434 ' O ' ' CB ' ' B' ' 57' ' ' MET . 59.0 t -75.44 -26.43 18.45 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.143 -0.973 . . . . 0.0 109.273 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . 0.527 ' CB ' ' O ' ' B' ' 50' ' ' GLN . 32.9 t70 -80.88 -24.85 38.02 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.342 -0.849 . . . . 0.0 109.44 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . 0.549 ' HG3' ' N ' ' B' ' 56' ' ' VAL . 0.1 OUTLIER -77.6 -39.81 44.23 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.896 -1.127 . . . . 0.0 109.306 179.853 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.57 HG13 ' CE2' ' B' ' 76' ' ' PHE . 2.9 m -81.02 -34.67 13.84 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.321 0 O-C-N 121.034 -1.041 . . . . 0.0 108.702 179.422 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.434 ' CB ' ' O ' ' B' ' 53' ' ' VAL . 2.3 ttm -75.22 -26.05 58.64 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 179.484 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . 0.493 ' HB2' ' O ' ' B' ' 54' ' ' ASP . 72.4 mt-10 -80.06 -49.99 10.98 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.2 -0.938 . . . . 0.0 108.549 179.111 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 3.1 m -63.8 -29.65 70.83 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 178.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.432 ' HB2' ' O ' ' B' ' 56' ' ' VAL . 9.8 mt -67.29 -56.27 10.46 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 179.439 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.51 -0.47 37.65 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.564 -0.71 . . . . 0.0 109.825 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.468 ' HB2' ' O ' ' B' ' 58' ' ' GLU . 74.4 tt0 -80.0 -37.41 34.27 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.146 -0.972 . . . . 0.0 109.583 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.448 ' HB3' ' HG3' ' B' ' 29' ' ' LYS . 0.2 OUTLIER -106.46 -67.76 0.92 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.27 -0.894 . . . . 0.0 109.461 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . 0.404 ' CA ' ' HB2' ' B' ' 29' ' ' LYS . . . 85.65 -54.75 4.83 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.757 -1.337 . . . . 0.0 109.757 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -100.16 23.13 10.4 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.097 -1.237 . . . . 0.0 109.615 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -95.66 161.75 23.04 Favored Glycine 0 N--CA 1.487 2.049 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -104.14 148.25 26.49 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.329 -1.101 . . . . 0.0 109.468 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.454 ' SG ' ' HD3' ' B' ' 29' ' ' LYS . 3.3 m -117.5 173.47 6.69 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.163 -0.96 . . . . 0.0 109.583 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -108.43 -177.96 3.47 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.336 -0.853 . . . . 0.0 109.198 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.587 ' CE2' ' HG3' ' B' ' 71' ' ' GLN . 36.7 p90 -79.89 -33.0 40.3 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.026 -1.046 . . . . 0.0 109.479 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . 0.587 ' HG3' ' CE2' ' B' ' 70' ' ' PHE . 0.1 OUTLIER -79.03 -23.95 43.96 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.113 -0.992 . . . . 0.0 108.547 179.09 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -77.0 -54.82 6.07 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.401 -0.812 . . . . 0.0 108.881 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.512 ' CE1' ' CD1' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -62.81 -25.9 68.48 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.279 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' MET . . . . . 0.442 ' HB2' ' O ' ' B' ' 70' ' ' PHE . 6.2 mmm -71.45 -51.95 21.08 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.58 -0.7 . . . . 0.0 109.435 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.469 ' O ' ' HG3' ' B' ' 79' ' ' MET . . . -68.42 -20.82 64.68 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.136 -0.977 . . . . 0.0 109.091 179.725 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.57 ' CE2' HG13 ' B' ' 56' ' ' VAL . 0.7 OUTLIER -74.93 -35.3 62.18 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.383 -0.823 . . . . 0.0 109.352 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.474 HG13 ' CE ' ' A' ' 7' ' ' MET . 88.1 t -73.04 -26.14 22.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.38 -0.825 . . . . 0.0 109.832 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.402 ' O ' ' OG1' ' B' ' 82' ' ' THR . 50.8 m -78.51 -41.54 32.09 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.23 -0.919 . . . . 0.0 110.678 -179.252 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 79' ' ' MET . . . . . 0.489 ' HB3' ' CG1' ' B' ' 52' ' ' VAL . 0.0 OUTLIER -61.7 -42.3 98.76 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.02 -1.05 . . . . 0.0 110.249 -179.267 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . 0.539 HG22 ' CG2' ' B' ' 36' ' ' ILE . 3.2 m -79.97 -38.47 18.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.086 -1.009 . . . . 0.0 110.876 -178.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.475 ' OG1' ' HE1' ' A' ' 7' ' ' MET . 46.0 m -66.98 -6.76 18.14 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.88 -1.138 . . . . 0.0 109.808 -179.524 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.428 ' HB ' ' HG2' ' A' ' 71' ' ' GLN . 2.4 p -111.14 -26.79 9.02 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.086 -1.009 . . . . 0.0 109.679 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.626 0 O-C-N 121.189 -0.944 . . . . 0.0 109.563 -179.918 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' SER . . . . . 0.464 ' OG ' ' HG3' ' A' ' 4' ' ' GLU . 28.9 p . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 121.406 0.622 . . . . 0.0 109.618 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.547 ' HB2' ' CG2' ' B' ' 13' ' ' VAL . 30.3 mm-40 -80.42 -41.01 25.3 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.309 -0.869 . . . . 0.0 109.925 -179.74 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.515 HD13 ' CD2' ' B' ' 10' ' ' LEU . 7.3 tp -69.93 -39.81 75.88 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.295 -0.878 . . . . 0.0 110.71 -179.116 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.531 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 37.4 mt-10 -73.26 -65.74 0.77 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.954 -1.091 . . . . 0.0 110.667 -178.629 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.4 -34.03 56.15 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 120.789 -1.194 . . . . 0.0 110.125 -179.065 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.473 ' O ' ' HB1' ' A' ' 9' ' ' ALA . . . -81.34 -68.73 0.67 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.149 -0.97 . . . . 0.0 110.883 -179.366 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.542 ' CE ' ' HA ' ' B' ' 78' ' ' SER . 1.6 tpt -52.19 -53.15 46.87 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.176 -0.952 . . . . 0.0 109.822 -178.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.531 ' CG2' ' O ' ' A' ' 4' ' ' GLU . 8.6 t -54.28 -31.09 21.76 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 O-C-N 121.49 -0.756 . . . . 0.0 109.313 -179.731 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.473 ' HB1' ' O ' ' A' ' 6' ' ' ALA . . . -66.92 -42.94 84.53 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.078 -1.014 . . . . 0.0 109.192 179.533 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.51 ' CD2' HD13 ' B' ' 3' ' ' LEU . 0.2 OUTLIER -50.81 -49.66 58.03 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.259 -0.901 . . . . 0.0 108.642 179.303 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.52 HG22 HD11 ' A' ' 11' ' ' ILE . 1.7 mt -49.39 -41.29 15.13 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.073 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -52.09 -52.91 48.33 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 179.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.544 ' CG2' ' HB2' ' B' ' 2' ' ' GLU . 96.9 t -45.84 -41.39 3.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.319 -0.863 . . . . 0.0 109.133 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.469 ' CD2' HD11 ' A' ' 27' ' ' LEU . 39.7 t80 -66.09 -41.8 90.18 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.277 -0.889 . . . . 0.0 109.244 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.433 ' O ' ' CG ' ' A' ' 15' ' ' HIS . 30.6 t-80 -86.91 10.72 15.34 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.327 -0.858 . . . . 0.0 109.181 179.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -107.12 -45.26 4.17 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.333 -0.855 . . . . 0.0 109.553 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.562 ' CD2' ' CD2' ' A' ' 35' ' ' LEU . 20.1 m-85 -82.57 -30.26 29.73 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.191 -0.943 . . . . 0.0 109.57 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.5 t . . . . . 0 N--CA 1.49 1.526 0 O-C-N 121.165 -0.959 . . . . 0.0 109.57 -179.968 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 120.89 0.376 . . . . 0.0 110.227 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.31 132.02 14.97 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.97 -1.081 . . . . 0.0 109.513 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.469 HD11 ' CD2' ' A' ' 14' ' ' PHE . 0.4 OUTLIER -91.37 -159.22 0.62 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.168 -0.958 . . . . 0.0 109.274 179.727 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 67' ' ' GLU . 12.0 mtmt -145.75 157.93 43.9 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.113 -0.992 . . . . 0.0 109.5 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.477 ' HE2' ' HB2' ' A' ' 63' ' ' ASP . 1.9 mtpp -71.8 -26.99 62.63 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.218 -0.926 . . . . 0.0 109.377 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.0 t -80.14 -36.31 35.39 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.259 -0.901 . . . . 0.0 109.297 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.485 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 1.3 tt0 -82.06 -18.0 44.7 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 179.192 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.495 ' O ' HG13 ' A' ' 36' ' ' ILE . 14.2 tp -80.87 -43.91 19.18 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 178.45 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.445 ' HG3' HD12 ' A' ' 60' ' ' LEU . 16.5 ttpp -56.86 -38.54 72.86 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 179.044 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.557 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 7.3 pt-20 -77.74 -39.68 43.58 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 179.695 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.562 ' CD2' ' CD2' ' A' ' 17' ' ' TYR . 0.1 OUTLIER -48.8 -46.81 42.27 Favored 'General case' 0 C--N 1.296 -1.745 0 O-C-N 121.577 -0.702 . . . . 0.0 109.3 179.776 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.518 HG23 ' CD2' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -81.4 -54.55 9.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.389 -0.819 . . . . 0.0 110.837 -179.356 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -71.88 2.41 5.57 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.223 -0.923 . . . . 0.0 111.449 -178.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.557 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 1.2 t30 -111.34 -50.38 2.94 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.805 -1.185 . . . . 0.0 109.496 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.489 ' O ' ' HB3' ' B' ' 3' ' ' LEU . 0.0 OUTLIER -140.94 41.41 1.82 Allowed 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.233 -0.917 . . . . 0.0 109.611 179.907 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.523 ' HG ' ' N ' ' A' ' 41' ' ' SER . 0.5 OUTLIER -61.1 -78.11 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.097 -1.002 . . . . 0.0 108.659 179.53 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.523 ' N ' ' HG ' ' A' ' 40' ' ' LEU . 1.6 p -162.65 44.03 0.13 Allowed 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.305 -0.872 . . . . 0.0 108.76 179.61 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 49.12 23.74 0.81 Allowed 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.347 -0.846 . . . . 0.0 109.115 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -110.88 102.91 11.38 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.496 -0.753 . . . . 0.0 109.434 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -176.78 90.76 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.279 -0.888 . . . . 0.0 109.521 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.502 ' HG3' ' N ' ' A' ' 46' ' ' GLU . 3.8 pt-20 -176.81 -32.99 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.202 -0.936 . . . . 0.0 109.553 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.502 ' N ' ' HG3' ' A' ' 45' ' ' GLU . 14.7 mt-10 -103.56 -59.83 1.66 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.28 -0.888 . . . . 0.0 109.554 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.455 ' HB ' ' O ' ' A' ' 46' ' ' GLU . 24.1 mt 67.26 109.93 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.376 -0.828 . . . . 0.0 109.522 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.27 -42.53 5.24 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.369 -0.832 . . . . 0.0 109.225 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.517 ' HB3' ' CG2' ' A' ' 52' ' ' VAL . 10.7 mm-40 -88.87 73.55 8.37 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.24 -0.913 . . . . 0.0 109.313 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.53 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 29.4 tt0 -55.99 -22.58 27.65 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.351 -0.843 . . . . 0.0 109.421 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -79.12 -42.8 25.42 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.173 -0.954 . . . . 0.0 109.599 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.53 ' CG1' ' HB3' ' A' ' 79' ' ' MET . 51.1 t -61.23 -60.98 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.291 -0.881 . . . . 0.0 109.391 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.543 ' O ' ' CB ' ' A' ' 57' ' ' MET . 71.6 t -62.32 -28.07 43.88 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 O-C-N 121.35 -0.844 . . . . 0.0 109.64 -179.552 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.53 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 10.9 t0 -72.37 -24.96 61.34 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.921 -1.112 . . . . 0.0 108.952 179.549 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.543 ' CD ' ' HE2' ' A' ' 79' ' ' MET . 0.2 OUTLIER -80.82 -56.79 3.89 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.392 -0.818 . . . . 0.0 109.941 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.547 ' HB ' ' CD2' ' A' ' 76' ' ' PHE . 33.7 m -65.89 -48.19 82.85 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.36 0 O-C-N 120.961 -1.087 . . . . 0.0 108.838 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.543 ' CB ' ' O ' ' A' ' 53' ' ' VAL . 0.2 OUTLIER -60.01 -23.2 63.48 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.393 -0.817 . . . . 0.0 108.882 179.226 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.484 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 1.8 mt-10 -68.17 -54.33 18.66 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.272 -0.892 . . . . 0.0 109.253 179.662 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.68 -29.91 70.39 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.474 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.457 HD11 ' HA ' ' A' ' 57' ' ' MET . 8.9 mt -62.44 -51.47 67.36 Favored 'General case' 0 C--N 1.302 -1.46 0 CA-C-O 121.514 0.673 . . . . 0.0 109.248 179.47 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.85 -4.51 52.53 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.465 -0.772 . . . . 0.0 109.562 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -71.33 -67.42 0.52 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.158 -0.964 . . . . 0.0 109.625 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.477 ' HB2' ' HE2' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -87.91 -48.21 7.98 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.347 -0.845 . . . . 0.0 109.562 -179.822 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.4 -52.61 4.51 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.581 -1.408 . . . . 0.0 109.581 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -123.05 78.69 1.58 Allowed 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.188 -1.183 . . . . 0.0 109.505 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.441 ' HA3' ' HD2' ' A' ' 29' ' ' LYS . . . -129.44 -161.33 10.51 Favored Glycine 0 N--CA 1.486 2.01 0 N-CA-C 109.486 -1.446 . . . . 0.0 109.486 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.441 ' HA ' ' HA ' ' A' ' 28' ' ' LYS . 24.0 mt-10 -120.99 132.68 55.06 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.25 -1.147 . . . . 0.0 109.458 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 97.6 m -104.64 179.32 4.3 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.256 -0.902 . . . . 0.0 108.93 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -134.08 154.7 51.01 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.061 -1.025 . . . . 0.0 109.53 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.648 ' CE2' ' CG2' ' B' ' 82' ' ' THR . 0.1 OUTLIER -47.84 -26.04 1.51 Allowed 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.316 -0.865 . . . . 0.0 110.441 -179.808 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.506 ' HG2' ' CG2' ' B' ' 82' ' ' THR . 0.8 OUTLIER -79.52 -52.38 8.1 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.094 -1.004 . . . . 0.0 109.452 179.566 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.57 ' OE2' ' CE1' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -57.85 -56.98 14.96 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.308 -0.87 . . . . 0.0 109.836 -179.683 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.476 ' C ' ' CD1' ' A' ' 73' ' ' PHE . 0.2 OUTLIER -56.06 -18.15 8.87 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.122 -0.986 . . . . 0.0 108.967 179.773 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.549 ' HA ' ' CE ' ' A' ' 74' ' ' MET . 0.7 OUTLIER -79.35 -60.05 2.52 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.126 -0.984 . . . . 0.0 109.917 -179.779 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.46 ' O ' ' HG3' ' A' ' 79' ' ' MET . . . -66.0 -17.19 64.52 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.606 -0.684 . . . . 0.0 109.326 -179.575 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.57 ' CE1' ' OE2' ' A' ' 72' ' ' GLU . 2.2 m-85 -81.17 -33.57 32.96 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.472 -0.767 . . . . 0.0 109.842 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.457 ' O ' ' OG1' ' A' ' 81' ' ' THR . 53.7 t -75.11 -29.37 21.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.182 -0.949 . . . . 0.0 109.952 -179.658 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.551 ' HA ' ' CE ' ' B' ' 7' ' ' MET . 2.4 p -78.69 -34.47 46.09 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.187 -0.946 . . . . 0.0 110.043 -179.495 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.543 ' HE2' ' CD ' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -65.23 -42.95 92.89 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.182 -0.949 . . . . 0.0 110.24 -179.54 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.441 HG22 HD23 ' A' ' 40' ' ' LEU . 6.3 m -80.91 -38.76 17.23 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.128 -0.982 . . . . 0.0 111.254 -178.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.461 ' OG1' ' HE1' ' B' ' 7' ' ' MET . 30.4 m -62.92 -11.74 20.55 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.869 -1.145 . . . . 0.0 109.738 -179.364 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.64 ' CG2' ' CE2' ' B' ' 70' ' ' PHE . 1.3 m -111.3 -26.74 8.99 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.254 -0.904 . . . . 0.0 109.306 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.476 ' CB ' HG21 ' A' ' 53' ' ' VAL . . . . . . . . 0 N--CA 1.491 1.613 0 O-C-N 121.061 -1.024 . . . . 0.0 110.748 -179.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 1' ' ' SER . . . . . 0.462 ' OG ' ' HG3' ' B' ' 4' ' ' GLU . 28.7 p . . . . . 0 N--CA 1.489 1.514 0 CA-C-O 121.42 0.628 . . . . 0.0 109.572 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.544 ' HB2' ' CG2' ' A' ' 13' ' ' VAL . 30.2 mm-40 -80.39 -41.02 25.38 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.306 -0.871 . . . . 0.0 109.901 -179.696 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.51 HD13 ' CD2' ' A' ' 10' ' ' LEU . 7.3 tp -69.98 -39.73 75.76 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.339 -0.85 . . . . 0.0 110.701 -179.07 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . 0.532 ' O ' ' CG2' ' B' ' 8' ' ' VAL . 37.1 mt-10 -73.24 -65.74 0.77 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.911 -1.118 . . . . 0.0 110.736 -178.713 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.43 -34.04 56.32 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 120.705 -1.247 . . . . 0.0 109.993 -179.039 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . 0.476 ' CB ' ' O ' ' B' ' 2' ' ' GLU . . . -81.36 -68.83 0.66 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.081 -1.012 . . . . 0.0 110.828 -179.297 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' MET . . . . . 0.551 ' CE ' ' HA ' ' A' ' 78' ' ' SER . 1.6 tpt -52.11 -53.28 44.46 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.224 -0.923 . . . . 0.0 109.74 -178.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . 0.532 ' CG2' ' O ' ' B' ' 4' ' ' GLU . 8.5 t -54.21 -31.05 21.43 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.622 0 O-C-N 121.45 -0.781 . . . . 0.0 109.389 -179.702 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . 0.472 ' HB1' ' O ' ' B' ' 6' ' ' ALA . . . -66.95 -42.98 84.31 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.031 -1.043 . . . . 0.0 109.147 179.523 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.515 ' CD2' HD13 ' A' ' 3' ' ' LEU . 0.2 OUTLIER -50.8 -49.57 58.2 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.248 -0.907 . . . . 0.0 108.567 179.336 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.51 HD11 HG22 ' B' ' 11' ' ' ILE . 1.7 mt -49.43 -41.33 15.33 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 179.104 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -52.05 -52.86 48.28 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.473 -0.767 . . . . 0.0 108.962 179.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . 0.547 ' CG2' ' HB2' ' A' ' 2' ' ' GLU . 95.3 t -45.81 -41.48 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.357 -0.84 . . . . 0.0 109.128 179.633 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.476 ' CD2' HD11 ' B' ' 27' ' ' LEU . 39.4 t80 -65.98 -41.9 90.52 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.243 -0.911 . . . . 0.0 109.302 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . 0.424 ' O ' ' CG ' ' B' ' 15' ' ' HIS . 30.6 t-80 -86.81 10.6 15.5 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.195 -0.941 . . . . 0.0 109.285 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -107.01 -45.27 4.2 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.388 -0.82 . . . . 0.0 109.637 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.563 ' CD2' ' CD2' ' B' ' 35' ' ' LEU . 19.9 m-85 -82.58 -30.35 29.65 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.248 -0.907 . . . . 0.0 109.515 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 5.4 t . . . . . 0 N--CA 1.49 1.534 0 O-C-N 121.185 -0.947 . . . . 0.0 109.582 -179.951 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 120.888 0.375 . . . . 0.0 110.257 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.4 132.09 14.94 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.012 -1.055 . . . . 0.0 109.513 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.476 HD11 ' CD2' ' B' ' 14' ' ' PHE . 0.4 OUTLIER -91.41 -159.09 0.61 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.292 -0.88 . . . . 0.0 109.257 179.72 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.45 ' HA ' ' HA ' ' B' ' 67' ' ' GLU . 12.2 mtmt -145.8 157.97 43.89 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.088 -1.007 . . . . 0.0 109.601 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.472 ' HE2' ' HB2' ' B' ' 63' ' ' ASP . 1.9 mtpp -71.71 -27.09 62.79 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.262 -0.899 . . . . 0.0 109.387 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 8.0 t -80.12 -36.22 35.61 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.296 -0.878 . . . . 0.0 109.373 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.492 ' O ' ' HG2' ' B' ' 34' ' ' GLU . 1.3 tp10 -82.16 -18.02 44.25 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 179.22 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.491 ' O ' HG13 ' B' ' 36' ' ' ILE . 14.2 tp -80.9 -43.91 19.12 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 178.439 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.451 ' HG3' HD12 ' B' ' 60' ' ' LEU . 16.6 ttpp -56.93 -38.62 73.16 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 179.098 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.556 ' O ' ' CB ' ' B' ' 38' ' ' ASN . 7.4 pt-20 -77.63 -39.72 44.3 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 179.69 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.563 ' CD2' ' CD2' ' B' ' 17' ' ' TYR . 0.1 OUTLIER -48.86 -46.7 42.71 Favored 'General case' 0 C--N 1.296 -1.744 0 O-C-N 121.642 -0.661 . . . . 0.0 109.314 179.763 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.521 HG23 ' CD2' ' B' ' 40' ' ' LEU . 0.2 OUTLIER -81.48 -54.48 9.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.419 -0.8 . . . . 0.0 110.823 -179.294 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -72.05 2.42 5.76 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.209 -0.932 . . . . 0.0 111.476 -178.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.556 ' CB ' ' O ' ' B' ' 34' ' ' GLU . 1.2 t30 -111.3 -50.42 2.94 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.827 -1.171 . . . . 0.0 109.537 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.48 ' O ' ' HG3' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -140.91 41.5 1.82 Allowed 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.217 -0.927 . . . . 0.0 109.652 179.857 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.523 ' HG ' ' N ' ' B' ' 41' ' ' SER . 0.5 OUTLIER -61.16 -78.23 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.138 -0.976 . . . . 0.0 108.625 179.494 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.523 ' HB3' ' CG2' ' A' ' 8' ' ' VAL . 1.6 p -162.57 43.97 0.13 Allowed 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.337 -0.852 . . . . 0.0 108.832 179.608 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 49.14 23.76 0.83 Allowed 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.483 -0.761 . . . . 0.0 109.075 -179.677 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -110.79 102.86 11.36 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.397 -0.815 . . . . 0.0 109.457 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -176.8 90.68 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.339 -0.85 . . . . 0.0 109.533 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.505 ' HG3' ' N ' ' B' ' 46' ' ' GLU . 3.8 pt-20 -176.76 -32.79 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.154 -0.966 . . . . 0.0 109.637 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . 0.505 ' N ' ' HG3' ' B' ' 45' ' ' GLU . 14.7 mt-10 -103.76 -59.75 1.68 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.182 -0.949 . . . . 0.0 109.486 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.45 ' HB ' ' O ' ' B' ' 46' ' ' GLU . 24.3 mt 67.24 110.06 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.365 -0.834 . . . . 0.0 109.501 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.42 -42.43 5.24 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.235 -0.915 . . . . 0.0 109.231 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.516 ' HB3' ' CG2' ' B' ' 52' ' ' VAL . 10.6 mm-40 -88.94 73.68 8.3 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.34 -0.85 . . . . 0.0 109.252 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . 0.524 ' O ' ' CB ' ' B' ' 54' ' ' ASP . 29.4 tt0 -56.01 -22.63 28.12 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.34 -0.85 . . . . 0.0 109.381 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -79.16 -42.73 25.47 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.167 -0.958 . . . . 0.0 109.587 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . 0.526 ' CG1' ' HB3' ' B' ' 79' ' ' MET . 50.8 t -61.35 -60.94 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.17 -0.956 . . . . 0.0 109.418 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.54 ' O ' ' CB ' ' B' ' 57' ' ' MET . 72.7 t -62.21 -28.08 43.82 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 O-C-N 121.246 -0.909 . . . . 0.0 109.695 -179.655 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . 0.524 ' CB ' ' O ' ' B' ' 50' ' ' GLN . 10.8 t0 -72.42 -24.92 61.3 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 120.937 -1.102 . . . . 0.0 108.88 179.613 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . 0.541 ' CD ' ' HE2' ' B' ' 79' ' ' MET . 0.2 OUTLIER -80.93 -56.79 3.88 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.39 -0.819 . . . . 0.0 109.899 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.539 ' HB ' ' CD2' ' B' ' 76' ' ' PHE . 33.6 m -66.0 -48.04 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.363 0 O-C-N 120.951 -1.093 . . . . 0.0 108.829 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.54 ' CB ' ' O ' ' B' ' 53' ' ' VAL . 0.2 OUTLIER -60.21 -23.05 63.71 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.403 -0.811 . . . . 0.0 108.88 179.289 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . 0.477 ' HB2' ' O ' ' B' ' 54' ' ' ASP . 1.8 mt-10 -68.22 -54.26 19.02 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.287 -0.883 . . . . 0.0 109.252 179.653 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.84 -29.84 70.44 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.461 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.451 HD12 ' HG3' ' B' ' 33' ' ' LYS . 9.0 mt -62.35 -51.51 67.32 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-O 121.584 0.707 . . . . 0.0 109.289 179.397 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.89 -4.48 52.51 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.527 -0.733 . . . . 0.0 109.538 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -71.33 -67.4 0.52 Allowed 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.259 -0.901 . . . . 0.0 109.653 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.472 ' HB2' ' HE2' ' B' ' 29' ' ' LYS . 0.2 OUTLIER -87.95 -48.12 8.03 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.415 -0.803 . . . . 0.0 109.666 -179.873 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.34 -52.65 4.52 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -123.08 78.61 1.58 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.255 -1.144 . . . . 0.0 109.519 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . 0.432 ' HA3' ' HD2' ' B' ' 29' ' ' LYS . . . -129.33 -161.28 10.51 Favored Glycine 0 N--CA 1.487 2.064 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.45 ' HA ' ' HA ' ' B' ' 28' ' ' LYS . 24.0 mt-10 -121.02 132.75 55.09 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.2 -1.176 . . . . 0.0 109.504 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 98.4 m -104.75 179.31 4.31 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.262 -0.899 . . . . 0.0 108.78 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -134.09 154.6 51.08 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.016 -1.052 . . . . 0.0 109.613 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.64 ' CE2' ' CG2' ' A' ' 82' ' ' THR . 0.1 OUTLIER -47.62 -26.15 1.39 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.382 -0.824 . . . . 0.0 110.447 -179.874 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . 0.495 ' HG2' ' CG2' ' A' ' 82' ' ' THR . 0.8 OUTLIER -79.58 -52.44 8.0 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.083 -1.011 . . . . 0.0 109.457 179.636 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.571 ' OE2' ' CE1' ' B' ' 76' ' ' PHE . 0.2 OUTLIER -57.83 -56.99 14.89 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.286 -0.884 . . . . 0.0 109.766 -179.661 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.482 ' CD1' ' C ' ' B' ' 73' ' ' PHE . 0.2 OUTLIER -56.05 -18.09 8.68 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.106 -0.996 . . . . 0.0 108.933 179.798 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' MET . . . . . 0.534 ' HA ' ' CE ' ' B' ' 74' ' ' MET . 0.7 OUTLIER -79.43 -60.18 2.46 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.203 -0.935 . . . . 0.0 109.883 -179.808 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.463 ' O ' ' HG3' ' B' ' 79' ' ' MET . . . -65.92 -17.0 64.37 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.505 -0.747 . . . . 0.0 109.294 -179.499 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.571 ' CE1' ' OE2' ' B' ' 72' ' ' GLU . 2.2 m-85 -81.38 -33.53 32.26 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.488 -0.758 . . . . 0.0 109.808 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.45 ' O ' ' OG1' ' B' ' 81' ' ' THR . 53.2 t -75.24 -29.34 21.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.165 -0.959 . . . . 0.0 109.831 -179.605 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.542 ' HA ' ' CE ' ' A' ' 7' ' ' MET . 2.4 p -78.64 -34.39 46.52 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.144 -0.973 . . . . 0.0 110.155 -179.614 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 79' ' ' MET . . . . . 0.541 ' HE2' ' CD ' ' B' ' 55' ' ' LYS . 0.2 OUTLIER -65.44 -42.86 91.97 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.077 -1.014 . . . . 0.0 110.27 -179.525 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . 0.438 HG22 HD23 ' B' ' 40' ' ' LEU . 6.3 m -80.89 -38.69 17.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.109 -0.994 . . . . 0.0 111.295 -178.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.466 ' OG1' ' HE1' ' A' ' 7' ' ' MET . 29.9 m -62.91 -11.65 19.94 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.852 -1.155 . . . . 0.0 109.751 -179.464 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.648 ' CG2' ' CE2' ' A' ' 70' ' ' PHE . 1.3 m -111.35 -26.85 8.91 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.223 -0.923 . . . . 0.0 109.324 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . 0.477 ' CB ' HG21 ' B' ' 53' ' ' VAL . . . . . . . . 0 N--CA 1.49 1.533 0 O-C-N 121.176 -0.952 . . . . 0.0 110.779 -179.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' SER . . . . . 0.421 ' OG ' ' HB3' ' A' ' 4' ' ' GLU . 78.1 p . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 121.321 0.582 . . . . 0.0 109.541 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.544 ' HB3' ' CG2' ' B' ' 13' ' ' VAL . 2.7 tp10 -79.81 -38.82 32.15 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.307 -0.871 . . . . 0.0 109.667 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.457 ' CD2' HD11 ' B' ' 35' ' ' LEU . 11.2 tp -79.54 -50.57 10.52 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.284 -0.885 . . . . 0.0 109.788 -179.65 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.549 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 6.0 tm-20 -54.56 -30.99 55.78 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.246 -0.909 . . . . 0.0 110.226 -179.347 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.414 ' HB2' ' O ' ' A' ' 1' ' ' SER . 3.2 mttt -81.0 -49.48 10.88 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.734 -1.229 . . . . 0.0 110.204 -179.471 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.471 ' O ' ' HB3' ' B' ' 6' ' ' ALA . . . -71.8 -63.3 1.16 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.183 -0.948 . . . . 0.0 110.27 -179.185 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.536 ' HG2' ' CD1' ' B' ' 40' ' ' LEU . 7.3 tpt -47.97 -53.75 15.06 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.283 -0.886 . . . . 0.0 109.943 -179.427 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.549 ' CG2' ' O ' ' A' ' 4' ' ' GLU . 18.2 t -64.78 -28.69 45.38 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.518 0 O-C-N 121.471 -0.768 . . . . 0.0 109.583 -179.421 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.447 ' HB1' ' HB3' ' B' ' 6' ' ' ALA . . . -66.43 -33.0 74.72 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.191 -0.943 . . . . 0.0 108.983 179.42 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.496 ' CD1' ' CE ' ' A' ' 74' ' ' MET . 0.4 OUTLIER -60.66 -50.37 73.79 Favored 'General case' 0 N--CA 1.486 1.375 0 O-C-N 121.245 -0.909 . . . . 0.0 108.614 179.446 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.3 mt -49.97 -27.79 3.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 179.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -66.96 -48.09 69.62 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.641 -0.662 . . . . 0.0 109.358 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.544 ' CG2' ' HB3' ' B' ' 2' ' ' GLU . 47.9 t -47.13 -45.19 8.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.319 -0.863 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.407 ' CE1' ' HD1' ' A' ' 70' ' ' PHE . 1.2 t80 -55.33 -54.4 44.07 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.211 -0.931 . . . . 0.0 109.554 -179.758 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -59.61 -21.08 59.89 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.165 -0.959 . . . . 0.0 108.977 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -79.68 -30.01 40.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.51 -0.744 . . . . 0.0 109.402 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.417 ' O ' ' C ' ' A' ' 18' ' ' SER . 73.5 m-85 -106.56 -80.23 0.56 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.288 -0.883 . . . . 0.0 109.675 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 17' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.622 0 O-C-N 121.252 -0.905 . . . . 0.0 109.698 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 . . . . . 0 N--CA 1.491 1.618 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.407 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 14.1 ptpt -150.59 151.53 32.72 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.14 -0.975 . . . . 0.0 109.623 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.75 -154.24 0.51 Allowed 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.239 -0.913 . . . . 0.0 109.202 179.554 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.459 ' HG2' ' O ' ' A' ' 66' ' ' GLY . 3.9 mtmt -143.29 131.1 21.47 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.354 -0.841 . . . . 0.0 109.176 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.538 ' O ' ' CD2' ' A' ' 60' ' ' LEU . 0.6 OUTLIER -49.77 -27.27 4.71 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.182 -0.948 . . . . 0.0 109.472 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.472 ' OG ' ' O ' ' A' ' 64' ' ' GLY . 0.3 OUTLIER -68.1 -42.84 79.7 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.226 -0.921 . . . . 0.0 109.7 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -74.01 -23.08 59.38 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 179.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.499 ' O ' HG13 ' A' ' 36' ' ' ILE . 8.2 tp -74.57 -34.46 62.9 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 178.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.478 ' HB2' HD23 ' A' ' 60' ' ' LEU . 54.9 tttt -60.51 -46.39 90.32 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 178.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.553 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 0.0 OUTLIER -71.74 -30.33 65.5 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.165 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.544 ' N ' ' HG3' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -56.83 -40.54 76.21 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 108.739 -0.838 . . . . 0.0 108.739 179.316 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -81.75 -61.21 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.325 -0.859 . . . . 0.0 110.256 179.889 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -66.26 -3.22 5.39 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.449 -0.782 . . . . 0.0 111.522 -178.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.553 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 4.6 t30 -118.14 -75.68 0.58 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.698 -1.251 . . . . 0.0 109.622 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.475 ' HB3' ' HB3' ' B' ' 3' ' ' LEU . 6.5 mm-40 -47.95 -59.67 3.18 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.979 -1.075 . . . . 0.0 108.861 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.55 ' CD1' ' HG2' ' B' ' 7' ' ' MET . 10.0 mt -70.07 -98.94 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.2 -0.938 . . . . 0.0 108.604 179.287 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.4 t 68.11 2.34 3.16 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.986 -1.071 . . . . 0.0 110.552 179.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.485 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 2.6 t-80 -62.26 -18.13 60.36 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.858 -1.151 . . . . 0.0 108.733 179.751 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.532 ' O ' ' CB ' ' A' ' 44' ' ' LEU . 1.3 m-85 -128.18 -141.55 0.26 Allowed 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.532 ' CB ' ' O ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER 77.55 49.59 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.047 -1.033 . . . . 0.0 109.821 179.55 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.549 ' OE1' ' N ' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -106.98 -60.6 1.65 Allowed 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 178.685 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.501 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 2.4 mt-10 -113.28 27.72 9.36 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 106.736 -1.579 . . . . 0.0 106.736 177.376 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.501 ' HB ' ' O ' ' A' ' 46' ' ' GLU . 1.0 OUTLIER 66.69 143.65 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 -179.028 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.487 ' HB2' ' CB ' ' A' ' 83' ' ' ALA . 4.1 mttt -77.51 -74.16 0.27 Allowed 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.344 -0.848 . . . . 0.0 109.308 -179.207 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.558 ' HB2' ' CB ' ' A' ' 83' ' ' ALA . 0.0 OUTLIER -122.54 106.97 11.48 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.048 -1.032 . . . . 0.0 108.823 179.276 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.525 ' O ' ' HB2' ' A' ' 54' ' ' ASP . 4.3 tm0? -46.64 -32.72 3.69 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.04 -1.037 . . . . 0.0 109.075 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.452 ' HB2' ' OE2' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -82.25 -63.82 1.3 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.412 -0.805 . . . . 0.0 110.782 -179.689 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.492 HG22 ' HG3' ' A' ' 49' ' ' GLU . 5.6 t -53.83 -60.37 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 120.959 -1.088 . . . . 0.0 108.881 -179.542 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 49.8 t -54.45 -25.47 14.28 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.599 0 O-C-N 121.615 -0.678 . . . . 0.0 109.908 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.525 ' HB2' ' O ' ' A' ' 50' ' ' GLN . 1.6 m-20 -69.17 -38.88 78.93 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.93 -1.106 . . . . 0.0 109.894 -179.682 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.86 -49.01 61.94 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.17 -0.956 . . . . 0.0 111.277 -178.419 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.537 ' CG1' ' SD ' ' A' ' 79' ' ' MET . 34.3 m -72.05 -45.82 61.74 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 O-C-N 120.763 -1.211 . . . . 0.0 109.257 -179.322 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.435 ' N ' ' CG2' ' A' ' 56' ' ' VAL . 39.7 tpp -65.06 -24.83 67.58 Favored 'General case' 0 C--N 1.295 -1.783 0 O-C-N 121.606 -0.684 . . . . 0.0 109.236 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.516 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 9.8 mt-10 -75.76 -55.81 5.28 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.072 -1.017 . . . . 0.0 109.275 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.02 -28.02 67.38 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.043 -1.036 . . . . 0.0 108.372 179.733 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.538 ' CD2' ' O ' ' A' ' 29' ' ' LYS . 12.0 mt -66.7 -55.58 14.46 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 179.631 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.14 -0.62 36.75 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.492 -0.755 . . . . 0.0 109.59 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.485 ' HB2' ' O ' ' A' ' 58' ' ' GLU . 5.5 tt0 -77.43 -39.84 45.49 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.133 -0.979 . . . . 0.0 109.69 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.38 -47.19 0.51 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.199 -0.938 . . . . 0.0 109.777 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.472 ' O ' ' OG ' ' A' ' 30' ' ' SER . . . 58.84 14.18 22.03 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.695 -1.362 . . . . 0.0 109.695 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -134.31 10.3 3.79 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.063 -1.257 . . . . 0.0 109.422 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.459 ' O ' ' HG2' ' A' ' 28' ' ' LYS . . . -89.74 157.46 26.42 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.756 -1.337 . . . . 0.0 109.756 -179.702 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -89.9 134.39 34.23 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.319 -1.107 . . . . 0.0 109.484 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.8 178.92 4.27 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.223 -0.923 . . . . 0.0 109.395 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -118.15 176.68 5.11 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.251 -0.906 . . . . 0.0 109.233 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.47 ' O ' ' HB2' ' A' ' 74' ' ' MET . 6.7 t80 -70.68 -40.69 72.78 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.135 -0.978 . . . . 0.0 109.204 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.447 ' HG2' ' OG1' ' B' ' 82' ' ' THR . 0.1 OUTLIER -71.59 -27.5 63.18 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.376 -0.828 . . . . 0.0 109.712 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.65 -61.24 1.94 Allowed 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.117 -0.989 . . . . 0.0 108.803 179.695 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -53.19 -25.0 12.25 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.387 -0.821 . . . . 0.0 109.158 179.467 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.496 ' CE ' ' CD1' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -76.46 -57.02 4.1 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.967 -1.083 . . . . 0.0 109.566 -179.77 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.492 ' O ' ' HG2' ' A' ' 79' ' ' MET . . . -63.97 -13.02 42.93 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.391 -0.818 . . . . 0.0 108.971 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.452 ' CD2' HG13 ' A' ' 56' ' ' VAL . 0.9 OUTLIER -81.37 -48.86 11.39 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.428 -0.795 . . . . 0.0 109.612 179.549 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.471 HG11 ' O ' ' A' ' 77' ' ' VAL . 78.7 t -64.93 -26.89 41.13 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.343 -0.848 . . . . 0.0 109.994 -179.567 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.526 ' O ' ' CG2' ' A' ' 82' ' ' THR . 1.4 m -73.36 -54.45 8.3 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.18 -0.95 . . . . 0.0 110.447 -179.318 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.537 ' SD ' ' CG1' ' A' ' 56' ' ' VAL . 7.8 ptp -52.04 -40.38 61.0 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.151 -0.968 . . . . 0.0 110.737 -178.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.524 ' CG1' HG23 ' A' ' 56' ' ' VAL . 3.3 m -73.56 -40.61 55.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 120.68 -1.262 . . . . 0.0 110.005 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.477 ' CG2' ' HG3' ' B' ' 7' ' ' MET . 11.0 m -67.24 -16.35 64.24 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.989 -1.069 . . . . 0.0 109.247 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.526 ' CG2' ' O ' ' A' ' 78' ' ' SER . 2.2 t -132.07 26.53 4.57 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.305 -0.872 . . . . 0.0 109.134 179.716 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.558 ' CB ' ' HB2' ' A' ' 49' ' ' GLU . . . . . . . . 0 N--CA 1.488 1.459 0 O-C-N 121.399 -0.813 . . . . 0.0 109.282 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 1' ' ' SER . . . . . 0.424 ' O ' ' HB2' ' B' ' 5' ' ' LYS . 78.0 p . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 121.23 0.538 . . . . 0.0 109.602 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.544 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 2.6 tp10 -79.84 -38.8 32.04 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.319 -0.863 . . . . 0.0 109.668 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.502 ' CD2' HD11 ' A' ' 35' ' ' LEU . 11.1 tp -79.53 -50.65 10.41 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.345 -0.847 . . . . 0.0 109.754 -179.702 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . 0.543 ' O ' ' CG2' ' B' ' 8' ' ' VAL . 6.0 tm-20 -54.48 -30.97 54.84 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.19 -0.944 . . . . 0.0 110.188 -179.325 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.424 ' HB2' ' O ' ' B' ' 1' ' ' SER . 3.2 mttt -81.0 -49.54 10.8 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.762 -1.212 . . . . 0.0 110.26 -179.53 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' A' ' 6' ' ' ALA . . . -71.72 -63.26 1.16 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.135 -0.978 . . . . 0.0 110.342 -179.235 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' MET . . . . . 0.55 ' HG2' ' CD1' ' A' ' 40' ' ' LEU . 7.3 tpt -48.13 -53.76 15.58 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.378 -0.826 . . . . 0.0 109.88 -179.427 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . 0.543 ' CG2' ' O ' ' B' ' 4' ' ' GLU . 18.1 t -64.68 -28.74 45.53 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.567 0 O-C-N 121.322 -0.861 . . . . 0.0 109.563 -179.405 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . 0.424 ' HB1' ' HB3' ' A' ' 6' ' ' ALA . . . -66.45 -33.07 74.88 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.137 -0.977 . . . . 0.0 108.927 179.445 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.498 ' CD1' ' CE ' ' B' ' 74' ' ' MET . 0.4 OUTLIER -60.69 -50.22 74.36 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 179.502 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.402 HD12 HG21 ' A' ' 81' ' ' THR . 10.3 mt -50.15 -27.76 4.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.055 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -66.94 -48.08 69.69 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.658 -0.651 . . . . 0.0 109.362 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . 0.544 ' CG2' ' HB3' ' A' ' 2' ' ' GLU . 47.7 t -47.2 -45.17 8.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.397 -0.814 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.402 ' CE1' ' HD1' ' B' ' 70' ' ' PHE . 1.2 t80 -55.3 -54.46 43.25 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.203 -0.936 . . . . 0.0 109.499 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -59.48 -21.14 59.69 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.151 -0.968 . . . . 0.0 108.997 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -79.77 -29.88 40.56 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.476 -0.765 . . . . 0.0 109.436 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.408 ' O ' ' C ' ' B' ' 18' ' ' SER . 73.2 m-85 -106.63 -80.23 0.56 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.313 -0.867 . . . . 0.0 109.584 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.408 ' C ' ' O ' ' B' ' 17' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.596 0 O-C-N 121.376 -0.827 . . . . 0.0 109.684 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 121.122 0.487 . . . . 0.0 109.735 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.413 ' O ' ' HG3' ' B' ' 26' ' ' LYS . 14.1 ptpt -150.57 151.53 32.73 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.093 -1.004 . . . . 0.0 109.662 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.71 -154.24 0.51 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.33 -0.856 . . . . 0.0 109.262 179.598 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' B' ' 66' ' ' GLY . 3.9 mtmt -143.29 131.08 21.44 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.317 -0.864 . . . . 0.0 109.132 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.531 ' O ' ' CD2' ' B' ' 60' ' ' LEU . 0.6 OUTLIER -49.71 -27.19 4.47 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.157 -0.964 . . . . 0.0 109.499 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.473 ' OG ' ' O ' ' B' ' 64' ' ' GLY . 0.3 OUTLIER -68.31 -42.74 78.98 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.2 -0.937 . . . . 0.0 109.588 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -74.09 -23.12 59.29 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 179.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.492 ' O ' HG13 ' B' ' 36' ' ' ILE . 8.2 tp -74.57 -34.44 62.9 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 178.723 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.472 ' HB2' HD23 ' B' ' 60' ' ' LEU . 54.8 tttt -60.57 -46.35 90.53 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 178.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.556 ' O ' ' CB ' ' B' ' 38' ' ' ASN . 0.0 OUTLIER -71.79 -30.31 65.4 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.181 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.546 ' N ' ' HG3' ' B' ' 34' ' ' GLU . 0.2 OUTLIER -56.8 -40.62 76.28 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 179.27 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.492 HG13 ' O ' ' B' ' 32' ' ' LEU . 0.4 OUTLIER -81.72 -61.22 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.314 -0.867 . . . . 0.0 110.372 179.877 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -66.14 -3.33 5.38 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.472 -0.767 . . . . 0.0 111.516 -178.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.556 ' CB ' ' O ' ' B' ' 34' ' ' GLU . 4.6 t30 -118.21 -75.66 0.58 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.713 -1.242 . . . . 0.0 109.623 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.474 ' HG3' HD12 ' B' ' 35' ' ' LEU . 6.5 mm-40 -47.91 -59.66 3.18 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.874 -1.141 . . . . 0.0 108.768 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.536 ' CD1' ' HG2' ' A' ' 7' ' ' MET . 10.0 mt -70.13 -99.02 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.194 -0.941 . . . . 0.0 108.621 179.336 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 2.4 t 68.05 2.43 3.17 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.077 -1.014 . . . . 0.0 110.534 179.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . 0.495 ' HB3' ' CE1' ' B' ' 43' ' ' PHE . 2.6 t-80 -62.23 -18.13 60.27 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.781 -1.199 . . . . 0.0 108.723 179.675 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . 0.527 ' O ' ' CB ' ' B' ' 44' ' ' LEU . 1.3 m-85 -128.2 -141.49 0.26 Allowed 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.527 ' CB ' ' O ' ' B' ' 43' ' ' PHE . 0.1 OUTLIER 77.39 49.66 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.047 -1.033 . . . . 0.0 109.937 179.589 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.538 ' OE1' ' N ' ' B' ' 45' ' ' GLU . 0.0 OUTLIER -107.03 -60.68 1.65 Allowed 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 106.961 -1.496 . . . . 0.0 106.961 178.716 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . 0.498 ' O ' ' HB ' ' B' ' 47' ' ' ILE . 2.3 mt-10 -113.14 27.62 9.46 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 177.399 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.498 ' HB ' ' O ' ' B' ' 46' ' ' GLU . 1.0 OUTLIER 66.75 143.69 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 -179.037 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.489 ' HB2' ' HB2' ' B' ' 83' ' ' ALA . 4.1 mttt -77.46 -74.16 0.27 Allowed 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.358 -0.839 . . . . 0.0 109.309 -179.159 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.567 ' HB2' ' CB ' ' B' ' 83' ' ' ALA . 0.0 OUTLIER -122.49 106.9 11.44 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.906 -1.121 . . . . 0.0 108.861 179.252 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . 0.526 ' O ' ' HB2' ' B' ' 54' ' ' ASP . 4.3 tm0? -46.64 -32.78 3.73 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 120.953 -1.092 . . . . 0.0 109.019 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.46 ' HB2' ' OE2' ' B' ' 49' ' ' GLU . 0.1 OUTLIER -82.13 -63.86 1.3 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.353 -0.842 . . . . 0.0 110.847 -179.72 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . 0.492 HG22 ' HG3' ' B' ' 49' ' ' GLU . 5.7 t -53.93 -60.31 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 O-C-N 120.792 -1.192 . . . . 0.0 108.825 -179.526 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 49.7 t -54.46 -25.4 14.18 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.603 0 O-C-N 121.681 -0.637 . . . . 0.0 109.99 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . 0.526 ' HB2' ' O ' ' B' ' 50' ' ' GLN . 1.7 m-20 -69.21 -38.83 78.78 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.986 -1.071 . . . . 0.0 109.945 -179.741 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.88 -49.1 61.11 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.134 -0.979 . . . . 0.0 111.275 -178.517 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.536 ' CG1' ' SD ' ' B' ' 79' ' ' MET . 34.2 m -71.82 -45.96 63.09 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.406 0 O-C-N 120.603 -1.311 . . . . 0.0 109.29 -179.372 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.441 ' N ' ' CG2' ' B' ' 56' ' ' VAL . 39.7 tpp -65.16 -24.72 67.47 Favored 'General case' 0 C--N 1.296 -1.759 0 O-C-N 121.52 -0.738 . . . . 0.0 109.292 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . 0.512 ' HB2' ' O ' ' B' ' 54' ' ' ASP . 9.8 mt-10 -75.66 -55.95 5.16 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.093 -1.004 . . . . 0.0 109.274 179.581 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.92 -28.14 67.35 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.121 -0.987 . . . . 0.0 108.383 179.748 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.531 ' CD2' ' O ' ' B' ' 29' ' ' LYS . 12.0 mt -66.65 -55.69 14.08 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 179.697 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.0 -0.54 35.83 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.492 -0.755 . . . . 0.0 109.72 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.486 ' HB2' ' O ' ' B' ' 58' ' ' GLU . 5.5 tt0 -77.46 -39.89 45.06 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.106 -0.996 . . . . 0.0 109.64 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.32 -47.26 0.52 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.277 -0.89 . . . . 0.0 109.786 -179.751 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . 0.473 ' O ' ' OG ' ' B' ' 30' ' ' SER . . . 58.88 14.26 22.62 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.679 -1.369 . . . . 0.0 109.679 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -134.36 10.25 3.77 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.084 -1.245 . . . . 0.0 109.424 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . 0.455 ' O ' ' HG2' ' B' ' 28' ' ' LYS . . . -89.64 157.41 26.48 Favored Glycine 0 N--CA 1.489 2.224 0 N-CA-C 109.801 -1.32 . . . . 0.0 109.801 -179.697 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -89.92 134.41 34.23 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.292 -1.122 . . . . 0.0 109.426 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.83 178.93 4.27 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.277 -0.889 . . . . 0.0 109.406 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -118.2 176.6 5.15 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.273 -0.892 . . . . 0.0 109.305 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.478 ' O ' ' HB2' ' B' ' 74' ' ' MET . 6.8 t80 -70.51 -40.69 73.36 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.293 -0.88 . . . . 0.0 109.221 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . 0.468 ' HG2' ' OG1' ' A' ' 82' ' ' THR . 0.1 OUTLIER -71.65 -27.5 63.11 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.272 -0.893 . . . . 0.0 109.728 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.67 -61.3 1.92 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.171 -0.956 . . . . 0.0 108.716 179.704 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -53.18 -25.02 12.21 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.403 -0.811 . . . . 0.0 109.126 179.531 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 74' ' ' MET . . . . . 0.498 ' CE ' ' CD1' ' B' ' 10' ' ' LEU . 0.0 OUTLIER -76.38 -57.07 4.08 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.938 -1.101 . . . . 0.0 109.586 -179.819 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.494 ' O ' ' HG2' ' B' ' 79' ' ' MET . . . -64.0 -13.03 43.44 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.284 -0.885 . . . . 0.0 108.949 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.443 ' CD2' HG13 ' B' ' 56' ' ' VAL . 0.9 OUTLIER -81.42 -48.84 11.38 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.397 -0.814 . . . . 0.0 109.571 179.553 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.465 ' O ' HG11 ' B' ' 77' ' ' VAL . 79.2 t -64.8 -26.96 41.37 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.345 -0.847 . . . . 0.0 109.991 -179.612 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.532 ' O ' ' CG2' ' B' ' 82' ' ' THR . 1.4 m -73.35 -54.58 7.99 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.108 -0.995 . . . . 0.0 110.34 -179.276 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 79' ' ' MET . . . . . 0.536 ' SD ' ' CG1' ' B' ' 56' ' ' VAL . 7.8 ptp -52.07 -40.35 61.07 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.042 -1.036 . . . . 0.0 110.66 -178.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . 0.523 ' CG1' HG23 ' B' ' 56' ' ' VAL . 3.3 m -73.63 -40.48 54.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 120.609 -1.307 . . . . 0.0 109.981 -179.742 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.504 ' CG2' ' HG3' ' A' ' 7' ' ' MET . 11.2 m -67.25 -16.28 64.19 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.947 -1.096 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.532 ' CG2' ' O ' ' B' ' 78' ' ' SER . 2.2 t -132.02 26.34 4.59 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.272 -0.892 . . . . 0.0 109.133 179.754 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . 0.567 ' CB ' ' HB2' ' B' ' 49' ' ' GLU . . . . . . . . 0 N--CA 1.488 1.465 0 O-C-N 121.323 -0.861 . . . . 0.0 109.344 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' SER . . . . . 0.534 ' CB ' ' HG2' ' B' ' 39' ' ' GLU . 1.3 p . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.25 0.548 . . . . 0.0 109.593 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.547 ' HB3' ' CG2' ' B' ' 13' ' ' VAL . 0.3 OUTLIER -80.13 -30.77 39.07 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.179 -0.951 . . . . 0.0 110.312 -179.404 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.526 ' CD2' HD11 ' B' ' 35' ' ' LEU . 15.9 tp -80.35 -53.23 6.81 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.126 -0.984 . . . . 0.0 110.301 -179.199 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.541 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 2.0 tt0 -53.82 -51.36 63.8 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 120.987 -1.07 . . . . 0.0 109.991 -179.019 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.472 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 5.6 mmpt? -64.27 -34.34 77.89 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.987 -1.07 . . . . 0.0 110.446 -179.254 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.486 ' HB1' ' HB2' ' B' ' 9' ' ' ALA . . . -80.02 -72.75 0.39 Allowed 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.028 -1.045 . . . . 0.0 110.21 -179.263 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.53 ' HE1' ' CG1' ' B' ' 77' ' ' VAL . 12.3 tpp -43.61 -49.59 7.58 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.411 -0.805 . . . . 0.0 109.868 -179.551 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.541 ' CG2' ' O ' ' A' ' 4' ' ' GLU . 13.5 t -67.05 -34.58 70.71 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.641 0 O-C-N 121.449 -0.782 . . . . 0.0 109.911 -179.051 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 5' ' ' LYS . . . -57.86 -41.07 81.67 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.013 -1.054 . . . . 0.0 108.871 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.507 ' CD1' ' HA ' ' B' ' 7' ' ' MET . 0.1 OUTLIER -56.74 -53.27 59.68 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.279 -0.888 . . . . 0.0 108.779 179.317 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.47 HD12 HG23 ' B' ' 81' ' ' THR . 2.6 mp -50.01 -28.94 4.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.339 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -63.7 -49.66 72.23 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.506 -0.746 . . . . 0.0 109.054 179.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.537 ' CG2' ' HB3' ' B' ' 2' ' ' GLU . 71.3 t -49.87 -37.47 12.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.368 -0.832 . . . . 0.0 109.102 179.747 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.449 ' CE1' ' CB ' ' A' ' 18' ' ' SER . 2.4 t80 -60.39 -41.64 94.26 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.386 -0.822 . . . . 0.0 109.707 -179.803 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -70.05 -19.07 63.31 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.128 -0.982 . . . . 0.0 109.411 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -79.19 -54.38 6.04 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.344 -0.847 . . . . 0.0 109.609 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.477 ' CZ ' HD23 ' A' ' 35' ' ' LEU . 57.7 m-85 -79.52 -54.96 5.39 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.256 -0.902 . . . . 0.0 109.419 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.449 ' CB ' ' CE1' ' A' ' 14' ' ' PHE . 0.8 OUTLIER . . . . . 0 N--CA 1.489 1.523 0 O-C-N 121.362 -0.836 . . . . 0.0 109.439 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.546 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.315 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt -132.16 131.91 42.69 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.246 -0.909 . . . . 0.0 109.217 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.476 ' CD2' ' HB3' ' A' ' 31' ' ' GLU . 0.4 OUTLIER -94.98 -155.7 0.48 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.199 -0.938 . . . . 0.0 109.484 -179.882 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.416 ' HG2' ' O ' ' A' ' 66' ' ' GLY . 11.2 mtpt -149.64 164.09 36.13 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.292 -0.88 . . . . 0.0 109.208 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.518 ' O ' ' CD2' ' A' ' 60' ' ' LEU . 6.6 mtpp -75.66 -26.5 57.72 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.109 -0.995 . . . . 0.0 109.393 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.453 ' HB2' ' O ' ' A' ' 64' ' ' GLY . 44.6 t -80.04 -35.46 37.17 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.281 -0.887 . . . . 0.0 109.332 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.48 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 7.2 tt0 -85.48 -19.02 31.87 Favored 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.061 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.515 ' O ' HG13 ' A' ' 36' ' ' ILE . 13.3 tp -80.38 -38.92 29.42 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 178.295 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.433 ' HA ' HD12 ' A' ' 60' ' ' LEU . 1.7 tttt -59.44 -38.25 80.21 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 179.017 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.501 ' HG3' ' N ' ' A' ' 35' ' ' LEU . 9.8 pt-20 -77.91 -40.5 39.55 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 179.714 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.501 ' N ' ' HG3' ' A' ' 34' ' ' GLU . 0.1 OUTLIER -50.67 -45.78 58.28 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-O 121.299 0.571 . . . . 0.0 109.487 179.696 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.53 ' CG2' HD23 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -80.65 -53.14 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.233 -0.917 . . . . 0.0 110.161 -179.767 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -65.75 -2.05 3.35 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.384 -0.822 . . . . 0.0 111.29 -178.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' A' ' 34' ' ' GLU . 32.3 t30 -109.0 -56.79 2.23 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.749 -1.22 . . . . 0.0 109.924 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.539 ' HG2' ' CB ' ' B' ' 1' ' ' SER . 1.8 mt-10 -105.06 27.29 8.33 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.279 -0.888 . . . . 0.0 110.012 -179.683 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.53 HD23 ' CG2' ' A' ' 36' ' ' ILE . 0.4 OUTLIER -148.11 -30.97 0.29 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.142 -0.974 . . . . 0.0 110.379 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.19 -10.05 2.57 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.014 -1.054 . . . . 0.0 110.382 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 8.9 t-80 -60.1 -22.7 63.09 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.833 -1.167 . . . . 0.0 109.228 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.489 ' CE2' HG23 ' B' ' 8' ' ' VAL . 92.7 m-85 -95.73 -13.96 23.75 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.281 -0.887 . . . . 0.0 109.68 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -64.67 131.46 46.99 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.184 -0.948 . . . . 0.0 109.515 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.47 ' HG2' ' O ' ' A' ' 43' ' ' PHE . 0.4 OUTLIER -179.68 -36.05 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.258 -0.901 . . . . 0.0 109.59 179.921 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.441 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 0.9 OUTLIER -121.1 -46.09 2.33 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.239 -0.913 . . . . 0.0 109.758 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.441 ' HB ' ' O ' ' A' ' 46' ' ' GLU . 8.7 mt 68.4 124.28 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.185 -0.947 . . . . 0.0 109.817 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -108.7 -41.12 4.87 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.304 -0.873 . . . . 0.0 109.177 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.466 ' HB3' ' HB ' ' A' ' 52' ' ' VAL . 2.2 mm-40 -99.86 87.49 3.53 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.339 -0.85 . . . . 0.0 109.149 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.534 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 5.8 tp60 -59.97 -24.02 64.07 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.259 -0.9 . . . . 0.0 109.791 -179.626 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.452 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 25.5 mt-10 -80.22 -35.29 36.39 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.107 -0.996 . . . . 0.0 109.954 -179.782 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.507 ' HB ' ' HB3' ' A' ' 83' ' ' ALA . 69.8 t -68.39 -53.61 27.23 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.164 -0.96 . . . . 0.0 109.521 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 48.5 t -69.7 -30.71 45.87 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.249 -0.907 . . . . 0.0 109.564 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.534 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 16.2 t0 -76.74 -22.04 54.39 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.198 -0.939 . . . . 0.0 108.964 179.659 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.452 ' HB2' ' O ' ' A' ' 51' ' ' GLU . 5.2 mtpt -80.75 -49.97 10.47 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.242 -0.911 . . . . 0.0 109.618 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.53 HG23 ' CG1' ' A' ' 80' ' ' VAL . 33.7 m -69.62 -46.46 75.24 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.307 0 O-C-N 121.064 -1.022 . . . . 0.0 108.942 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.3 tpp -63.3 -24.13 67.73 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.522 ' CG ' ' O ' ' A' ' 54' ' ' ASP . 7.9 mt-10 -74.38 -57.24 4.07 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.423 -0.798 . . . . 0.0 109.299 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.432 ' O ' ' HE2' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -60.79 -24.01 65.47 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 179.512 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.518 ' CD2' ' O ' ' A' ' 29' ' ' LYS . 11.3 mt -70.29 -53.62 16.08 Favored 'General case' 0 C--N 1.302 -1.468 0 CA-C-O 121.427 0.632 . . . . 0.0 109.555 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -75.61 -10.3 59.32 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.504 -0.747 . . . . 0.0 109.87 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.04 -52.85 12.8 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.12 -0.987 . . . . 0.0 109.852 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.482 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 3.4 t70 -139.61 54.58 1.68 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.304 -0.873 . . . . 0.0 109.562 -179.676 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.453 ' O ' ' HB2' ' A' ' 30' ' ' SER . . . -40.34 -28.06 0.17 Allowed Glycine 0 N--CA 1.493 2.444 0 N-CA-C 110.017 -1.233 . . . . 0.0 110.017 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 63' ' ' ASP . 20.6 t70 -89.56 39.88 0.97 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.135 -1.215 . . . . 0.0 109.454 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.416 ' O ' ' HG2' ' A' ' 28' ' ' LYS . . . -109.37 -171.04 20.56 Favored Glycine 0 N--CA 1.488 2.109 0 N-CA-C 109.741 -1.344 . . . . 0.0 109.741 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' A' ' 67' ' ' GLU . 7.6 pt-20 -124.45 137.19 54.46 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.316 -1.108 . . . . 0.0 109.59 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 95.4 m -107.92 172.45 6.82 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.33 -0.856 . . . . 0.0 109.143 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -111.16 -175.41 2.7 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.188 -0.945 . . . . 0.0 109.505 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.505 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 9.1 p90 -77.03 -39.99 48.09 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.342 -0.849 . . . . 0.0 109.565 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.505 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -79.91 -26.5 40.15 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.127 -0.983 . . . . 0.0 109.515 -179.895 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.504 ' N ' ' HG3' ' A' ' 71' ' ' GLN . 1.6 mt-10 -76.66 -54.79 6.18 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.259 -0.901 . . . . 0.0 109.163 179.608 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.483 ' CE1' HD11 ' A' ' 32' ' ' LEU . 15.8 t80 -58.3 -17.87 22.93 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 179.234 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.614 ' HA ' ' CE ' ' A' ' 74' ' ' MET . 0.2 OUTLIER -79.95 -63.82 1.33 Allowed 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.507 -0.746 . . . . 0.0 109.337 179.62 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.461 ' O ' ' HG3' ' A' ' 79' ' ' MET . . . -62.28 -13.01 23.92 Favored 'General case' 0 C--N 1.295 -1.767 0 C-N-CA 119.431 -0.908 . . . . 0.0 109.409 -179.559 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.473 ' CE1' HG11 ' A' ' 56' ' ' VAL . 0.3 OUTLIER -79.17 -44.73 21.33 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.289 -0.882 . . . . 0.0 108.875 179.574 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.499 ' CG1' ' HE1' ' B' ' 7' ' ' MET . 74.5 t -70.2 -27.58 32.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.542 -0.724 . . . . 0.0 109.357 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.471 ' HA ' ' HE2' ' B' ' 7' ' ' MET . 45.3 m -78.74 -51.64 9.51 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.4 -0.813 . . . . 0.0 109.965 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.461 ' HG3' ' O ' ' A' ' 75' ' ' ALA . 1.1 mmm -46.05 -39.32 9.05 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.193 -0.942 . . . . 0.0 110.073 -179.705 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.53 ' CG1' HG23 ' A' ' 56' ' ' VAL . 35.5 m -76.86 -48.45 25.68 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.181 -0.95 . . . . 0.0 110.347 -179.251 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.501 HG22 ' CG ' ' B' ' 7' ' ' MET . 0.4 OUTLIER -64.28 -10.78 26.07 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.026 -1.046 . . . . 0.0 109.619 -179.75 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.456 ' OG1' ' O ' ' A' ' 78' ' ' SER . 0.9 OUTLIER -99.54 -37.14 9.29 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.206 -0.934 . . . . 0.0 109.0 179.709 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.507 ' HB3' ' HB ' ' A' ' 52' ' ' VAL . . . . . . . . 0 N--CA 1.49 1.567 0 O-C-N 121.439 -0.788 . . . . 0.0 109.394 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 1' ' ' SER . . . . . 0.539 ' CB ' ' HG2' ' A' ' 39' ' ' GLU . 1.3 p . . . . . 0 N--CA 1.49 1.556 0 CA-C-O 121.175 0.512 . . . . 0.0 109.656 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.537 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -80.11 -30.83 39.16 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.141 -0.974 . . . . 0.0 110.407 -179.432 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.532 ' HB3' ' CB ' ' A' ' 39' ' ' GLU . 15.8 tp -80.33 -53.2 6.85 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.173 -0.955 . . . . 0.0 110.336 -179.268 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . 0.536 ' O ' ' CG2' ' B' ' 8' ' ' VAL . 2.0 tt0 -53.85 -51.37 63.8 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 121.033 -1.042 . . . . 0.0 109.988 -179.038 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.469 ' O ' ' HB3' ' B' ' 9' ' ' ALA . 5.6 mmpt? -64.2 -34.33 77.84 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.017 -1.052 . . . . 0.0 110.448 -179.249 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . 0.474 ' HB3' ' N ' ' A' ' 10' ' ' LEU . . . -80.12 -72.65 0.4 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.071 -1.018 . . . . 0.0 110.253 -179.217 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' MET . . . . . 0.507 ' HA ' ' CD1' ' A' ' 10' ' ' LEU . 12.6 tpp -43.63 -49.54 7.64 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.428 -0.795 . . . . 0.0 109.927 -179.605 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . 0.536 ' CG2' ' O ' ' B' ' 4' ' ' GLU . 13.5 t -67.08 -34.51 70.18 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 O-C-N 121.383 -0.823 . . . . 0.0 109.955 -179.064 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . 0.486 ' HB2' ' HB1' ' A' ' 6' ' ' ALA . . . -57.9 -41.01 81.69 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.097 -1.002 . . . . 0.0 108.905 179.499 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.525 ' CD1' ' HA ' ' A' ' 7' ' ' MET . 0.1 OUTLIER -56.8 -53.24 60.16 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.284 -0.885 . . . . 0.0 108.748 179.34 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.426 HD12 HG23 ' A' ' 81' ' ' THR . 2.6 mp -49.97 -29.02 4.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.154 -0.966 . . . . 0.0 108.409 179.284 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -63.63 -49.68 72.35 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.456 -0.778 . . . . 0.0 109.096 179.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . 0.547 ' CG2' ' HB3' ' A' ' 2' ' ' GLU . 71.0 t -49.71 -37.57 12.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.351 -0.843 . . . . 0.0 109.167 179.69 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.441 ' CD1' ' HB3' ' B' ' 18' ' ' SER . 2.4 t80 -60.49 -41.55 94.49 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.384 -0.823 . . . . 0.0 109.724 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -70.0 -19.05 63.35 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.175 -0.953 . . . . 0.0 109.462 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -79.2 -54.45 5.97 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.37 -0.831 . . . . 0.0 109.583 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.463 ' CZ ' HD23 ' B' ' 35' ' ' LEU . 58.0 m-85 -79.43 -54.99 5.39 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.193 -0.942 . . . . 0.0 109.422 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.441 ' HB3' ' CD1' ' B' ' 14' ' ' PHE . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.544 0 O-C-N 121.41 -0.806 . . . . 0.0 109.384 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . 0.545 ' CG ' ' O ' ' B' ' 25' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt -132.07 131.91 42.85 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.184 -0.948 . . . . 0.0 109.249 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.484 ' CD2' ' HB3' ' B' ' 31' ' ' GLU . 0.4 OUTLIER -95.05 -155.65 0.48 Allowed 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.086 -1.009 . . . . 0.0 109.481 -179.911 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.402 ' HG2' ' O ' ' B' ' 66' ' ' GLY . 11.2 mtpt -149.7 164.05 36.26 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.298 -0.876 . . . . 0.0 109.218 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.52 ' O ' ' CD2' ' B' ' 60' ' ' LEU . 6.6 mtpp -75.66 -26.52 57.76 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.154 -0.966 . . . . 0.0 109.348 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.462 ' HB2' ' O ' ' B' ' 64' ' ' GLY . 44.5 t -80.0 -35.55 37.23 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.368 -0.832 . . . . 0.0 109.294 179.728 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.488 ' O ' ' HG2' ' B' ' 34' ' ' GLU . 7.3 tt0 -85.45 -19.08 31.83 Favored 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 179.144 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.523 ' O ' HG13 ' B' ' 36' ' ' ILE . 13.3 tp -80.49 -38.84 29.09 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 178.337 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.434 ' HA ' HD12 ' B' ' 60' ' ' LEU . 1.7 tttt -59.43 -38.25 80.18 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 179.025 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.521 ' HG3' ' N ' ' B' ' 35' ' ' LEU . 9.9 pt-20 -77.97 -40.56 38.93 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 179.783 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.526 HD11 ' CD2' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -50.66 -45.78 58.18 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.641 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.533 ' CG2' HD23 ' B' ' 40' ' ' LEU . 0.4 OUTLIER -80.68 -53.24 12.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.239 -0.913 . . . . 0.0 110.056 -179.757 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -65.62 -2.19 3.31 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.424 -0.797 . . . . 0.0 111.271 -178.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.419 ' HB2' ' O ' ' B' ' 34' ' ' GLU . 32.4 t30 -108.97 -56.85 2.22 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.796 -1.19 . . . . 0.0 109.887 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.534 ' HG2' ' CB ' ' A' ' 1' ' ' SER . 1.8 mt-10 -104.97 27.19 8.38 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.164 -0.96 . . . . 0.0 110.012 -179.617 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.533 HD23 ' CG2' ' B' ' 36' ' ' ILE . 0.4 OUTLIER -148.15 -30.93 0.29 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.15 -0.969 . . . . 0.0 110.385 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.12 -10.1 2.5 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.058 -1.026 . . . . 0.0 110.444 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -60.01 -22.72 62.96 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.894 -1.129 . . . . 0.0 109.367 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . 0.497 ' CE2' HG23 ' A' ' 8' ' ' VAL . 92.5 m-85 -95.71 -13.83 23.89 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.235 -0.916 . . . . 0.0 109.733 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -64.67 131.52 47.14 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.238 -0.914 . . . . 0.0 109.523 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.476 ' HG2' ' O ' ' B' ' 43' ' ' PHE . 0.4 OUTLIER -179.71 -36.13 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.187 -0.946 . . . . 0.0 109.637 179.942 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . 0.435 ' O ' ' HB ' ' B' ' 47' ' ' ILE . 0.9 OUTLIER -121.03 -46.09 2.34 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.217 -0.927 . . . . 0.0 109.764 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.435 ' HB ' ' O ' ' B' ' 46' ' ' GLU . 8.7 mt 68.37 124.2 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.18 -0.95 . . . . 0.0 109.848 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -108.65 -41.23 4.85 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.317 -0.864 . . . . 0.0 109.103 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.476 ' HB3' ' HB ' ' B' ' 52' ' ' VAL . 2.2 mm-40 -99.68 87.51 3.58 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.291 -0.88 . . . . 0.0 109.212 179.742 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . 0.526 ' O ' ' CB ' ' B' ' 54' ' ' ASP . 5.9 tp60 -59.93 -24.07 64.05 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.334 -0.854 . . . . 0.0 109.809 -179.673 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.451 ' O ' ' HB2' ' B' ' 55' ' ' LYS . 25.4 mt-10 -80.16 -35.38 36.6 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.188 -0.945 . . . . 0.0 109.882 -179.738 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . 0.503 ' HB ' ' HB3' ' B' ' 83' ' ' ALA . 70.1 t -68.35 -53.56 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.126 -0.984 . . . . 0.0 109.508 -179.816 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 48.0 t -69.81 -30.73 45.7 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 121.277 -0.889 . . . . 0.0 109.47 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . 0.526 ' CB ' ' O ' ' B' ' 50' ' ' GLN . 16.3 t0 -76.68 -22.02 54.56 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.142 -0.974 . . . . 0.0 109.037 179.623 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . 0.451 ' HB2' ' O ' ' B' ' 51' ' ' GLU . 5.2 mtpt -80.75 -50.01 10.42 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.417 -0.802 . . . . 0.0 109.675 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.525 HG23 ' CG1' ' B' ' 80' ' ' VAL . 33.3 m -69.6 -46.47 75.34 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.357 0 O-C-N 121.117 -0.989 . . . . 0.0 108.882 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.407 ' N ' ' CG2' ' B' ' 56' ' ' VAL . 23.3 tpp -63.37 -24.08 67.69 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.779 -0.822 . . . . 0.0 108.779 179.211 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . 0.521 ' CG ' ' O ' ' B' ' 54' ' ' ASP . 7.8 mt-10 -74.32 -57.12 4.15 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.327 -0.858 . . . . 0.0 109.322 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' THR . . . . . 0.434 ' O ' ' HE2' ' B' ' 29' ' ' LYS . 0.2 OUTLIER -60.94 -23.93 65.67 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.108 -0.995 . . . . 0.0 108.492 179.525 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.52 ' CD2' ' O ' ' B' ' 29' ' ' LYS . 11.3 mt -70.18 -53.8 15.61 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-O 121.384 0.611 . . . . 0.0 109.527 179.708 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -75.45 -10.36 59.38 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.622 -0.674 . . . . 0.0 109.982 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.08 -52.79 12.95 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.243 -0.91 . . . . 0.0 109.849 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.474 ' O ' ' HD3' ' B' ' 29' ' ' LYS . 3.3 t70 -139.57 54.49 1.68 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.334 -0.854 . . . . 0.0 109.648 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . 0.462 ' O ' ' HB2' ' B' ' 30' ' ' SER . . . -40.32 -28.04 0.17 Allowed Glycine 0 N--CA 1.493 2.449 0 N-CA-C 110.066 -1.213 . . . . 0.0 110.066 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' B' ' 63' ' ' ASP . 20.7 t70 -89.54 39.9 0.97 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.166 -1.197 . . . . 0.0 109.417 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . 0.402 ' O ' ' HG2' ' B' ' 28' ' ' LYS . . . -109.38 -171.04 20.55 Favored Glycine 0 N--CA 1.487 2.073 0 N-CA-C 109.741 -1.343 . . . . 0.0 109.741 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.46 ' HG3' ' O ' ' B' ' 67' ' ' GLU . 7.6 pt-20 -124.42 137.26 54.46 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.218 -1.166 . . . . 0.0 109.556 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 95.3 m -107.98 172.38 6.87 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.242 -0.911 . . . . 0.0 109.144 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -111.04 -175.32 2.68 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.219 -0.925 . . . . 0.0 109.61 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.513 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 9.0 p90 -77.15 -39.85 47.66 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.308 -0.87 . . . . 0.0 109.56 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . 0.513 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -80.05 -26.44 39.72 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.2 -0.937 . . . . 0.0 109.52 -179.907 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.51 ' N ' ' HG3' ' B' ' 71' ' ' GLN . 1.6 mt-10 -76.69 -54.8 6.16 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.169 -0.957 . . . . 0.0 109.081 179.654 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.478 ' CE1' HD11 ' B' ' 32' ' ' LEU . 16.0 t80 -58.26 -17.96 23.13 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 179.184 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 74' ' ' MET . . . . . 0.608 ' HA ' ' CE ' ' B' ' 74' ' ' MET . 0.2 OUTLIER -79.79 -63.87 1.32 Allowed 'General case' 0 N--CA 1.486 1.366 0 O-C-N 121.42 -0.8 . . . . 0.0 109.304 179.61 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.464 ' O ' ' HG3' ' B' ' 79' ' ' MET . . . -62.48 -12.89 24.78 Favored 'General case' 0 C--N 1.296 -1.744 0 C-N-CA 119.444 -0.903 . . . . 0.0 109.37 -179.403 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.468 ' CE1' HG11 ' B' ' 56' ' ' VAL . 0.3 OUTLIER -79.15 -44.81 21.22 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.324 -0.86 . . . . 0.0 108.763 179.548 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.53 ' CG1' ' HE1' ' A' ' 7' ' ' MET . 75.0 t -70.12 -27.65 33.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.564 -0.71 . . . . 0.0 109.36 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.462 ' O ' ' OG1' ' B' ' 82' ' ' THR . 44.4 m -78.75 -51.53 9.66 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.305 -0.872 . . . . 0.0 109.987 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 79' ' ' MET . . . . . 0.464 ' HG3' ' O ' ' B' ' 75' ' ' ALA . 1.1 mmm -46.2 -39.22 9.42 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.291 -0.881 . . . . 0.0 110.049 -179.724 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . 0.531 HG23 ' CG2' ' B' ' 36' ' ' ILE . 35.4 m -76.82 -48.5 25.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 121.205 -0.934 . . . . 0.0 110.319 -179.326 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.496 ' N ' HG22 ' B' ' 80' ' ' VAL . 0.4 OUTLIER -64.3 -10.75 26.02 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.117 -0.99 . . . . 0.0 109.622 -179.666 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.462 ' OG1' ' O ' ' B' ' 78' ' ' SER . 0.9 OUTLIER -99.56 -37.21 9.26 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.145 -0.972 . . . . 0.0 109.006 179.684 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . 0.503 ' HB3' ' HB ' ' B' ' 52' ' ' VAL . . . . . . . . 0 N--CA 1.49 1.547 0 O-C-N 121.272 -0.892 . . . . 0.0 109.426 179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' SER . . . . . 0.479 ' OG ' ' HB3' ' A' ' 4' ' ' GLU . 36.5 p . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 121.283 0.563 . . . . 0.0 109.568 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.538 ' HB2' ' CG2' ' B' ' 13' ' ' VAL . 2.4 mm-40 -80.08 -44.14 20.55 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.272 -0.893 . . . . 0.0 109.912 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.5 HD22 ' HG ' ' B' ' 40' ' ' LEU . 6.3 tp -75.75 -47.53 25.56 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.357 -0.839 . . . . 0.0 110.537 -178.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.533 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 4.5 tt0 -64.19 -49.39 72.23 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.952 -1.092 . . . . 0.0 110.514 -179.031 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.71 -36.37 75.85 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.001 -1.062 . . . . 0.0 110.339 -179.166 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.444 ' O ' ' HB1' ' A' ' 9' ' ' ALA . . . -80.37 -67.62 0.75 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.014 -1.054 . . . . 0.0 110.154 -179.415 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.511 ' HE1' ' CG1' ' B' ' 77' ' ' VAL . 4.3 tpt -45.96 -53.48 9.93 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.308 -0.87 . . . . 0.0 109.501 -179.557 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.533 ' CG2' ' O ' ' A' ' 4' ' ' GLU . 21.4 t -62.12 -38.23 80.38 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.555 0 C-N-CA 119.64 -0.824 . . . . 0.0 109.158 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.446 ' HB2' ' HB1' ' B' ' 6' ' ' ALA . . . -53.13 -37.68 62.01 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 179.06 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.507 HD22 ' CD1' ' B' ' 3' ' ' LEU . 0.5 OUTLIER -55.25 -46.79 76.06 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 178.94 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.479 ' CD1' ' N ' ' A' ' 11' ' ' ILE . 1.7 mp -56.24 -33.05 36.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.026 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -60.11 -49.62 76.93 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.523 -0.735 . . . . 0.0 109.293 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.549 ' CG2' ' HB2' ' B' ' 2' ' ' GLU . 69.6 t -49.21 -49.28 17.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.191 -0.943 . . . . 0.0 109.059 179.719 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.551 ' CE1' ' CD2' ' A' ' 73' ' ' PHE . 0.6 OUTLIER -44.67 -59.76 2.33 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.471 -0.768 . . . . 0.0 109.65 -179.904 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 29.6 t-80 -54.55 -34.83 62.48 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.168 -0.958 . . . . 0.0 109.644 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.48 -36.85 83.79 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.309 -0.87 . . . . 0.0 109.783 -179.657 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.581 ' CG ' HD22 ' A' ' 35' ' ' LEU . 73.2 m-85 -102.34 15.7 28.41 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.251 -0.906 . . . . 0.0 109.533 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.614 0 O-C-N 121.161 -0.962 . . . . 0.0 109.465 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.145 0.497 . . . . 0.0 110.15 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.451 ' HE2' ' HB2' ' A' ' 67' ' ' GLU . 4.9 ptmm? -119.04 129.79 55.3 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.099 -1.001 . . . . 0.0 109.182 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.407 HD21 ' HB2' ' A' ' 32' ' ' LEU . 1.7 tp -94.16 -161.77 0.88 Allowed 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.336 -0.853 . . . . 0.0 109.478 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -139.94 177.5 7.92 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.252 -0.905 . . . . 0.0 109.217 179.777 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.438 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 10.0 mmtp -78.69 -32.39 47.0 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.194 -0.941 . . . . 0.0 109.077 179.727 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.1 t -81.03 -35.2 32.17 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.291 -0.881 . . . . 0.0 109.538 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.474 ' O ' ' HB2' ' A' ' 35' ' ' LEU . 9.3 tt0 -81.75 -25.81 35.05 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 179.694 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.476 ' O ' HG13 ' A' ' 36' ' ' ILE . 22.1 tp -79.82 -40.68 28.03 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 108.633 -0.876 . . . . 0.0 108.633 179.256 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -64.93 -37.13 86.63 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 179.413 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.548 ' HG3' ' N ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -78.01 -31.25 50.46 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.498 -0.926 . . . . 0.0 108.498 179.667 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.581 HD22 ' CG ' ' A' ' 17' ' ' TYR . 0.2 OUTLIER -55.16 -44.62 75.33 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 178.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.479 ' HA ' ' HB2' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -81.33 -61.55 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 O-C-N 121.468 -0.77 . . . . 0.0 109.813 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -54.91 -11.14 0.57 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.243 -0.91 . . . . 0.0 111.563 -178.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.469 ' HB2' ' O ' ' A' ' 34' ' ' GLU . 0.3 OUTLIER -104.08 -58.24 1.91 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.466 -1.396 . . . . 0.0 110.45 -179.368 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.476 ' O ' ' HB3' ' B' ' 3' ' ' LEU . 52.9 mt-10 -111.45 31.58 6.02 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.908 -1.12 . . . . 0.0 110.354 -179.14 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.492 HD22 ' CB ' ' B' ' 7' ' ' MET . 0.2 OUTLIER -153.02 -86.86 0.06 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.98 -1.075 . . . . 0.0 108.851 179.88 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.566 ' O ' ' CG ' ' A' ' 42' ' ' HIS . 2.8 m 63.29 7.01 2.65 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.783 -1.198 . . . . 0.0 110.543 179.155 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.566 ' CG ' ' O ' ' A' ' 41' ' ' SER . 31.4 p80 38.88 27.89 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.25 -0.906 . . . . 0.0 110.087 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.497 ' N ' ' O ' ' A' ' 41' ' ' SER . 36.2 m-85 60.23 105.74 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.082 -1.011 . . . . 0.0 109.449 -179.694 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.448 HD22 HD13 ' A' ' 47' ' ' ILE . 0.2 OUTLIER -91.11 126.11 36.1 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.322 -0.861 . . . . 0.0 109.605 -179.812 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.468 ' HG3' ' N ' ' A' ' 46' ' ' GLU . 8.5 pt-20 -163.86 -37.89 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.17 -0.956 . . . . 0.0 109.633 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.468 ' N ' ' HG3' ' A' ' 45' ' ' GLU . 0.1 OUTLIER -144.7 -54.1 0.32 Allowed 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.257 -0.902 . . . . 0.0 108.723 179.897 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.461 ' HB ' ' O ' ' A' ' 46' ' ' GLU . 3.6 mt 63.2 100.53 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.39 -0.819 . . . . 0.0 109.664 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -89.7 -41.16 12.08 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.124 -0.985 . . . . 0.0 109.416 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.536 ' HB3' ' CG2' ' A' ' 52' ' ' VAL . 4.3 mm-40 -80.49 75.54 7.35 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.11 -0.994 . . . . 0.0 109.667 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.46 ' O ' ' HB2' ' A' ' 54' ' ' ASP . 37.3 tt0 -62.18 -23.46 66.62 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.244 -0.91 . . . . 0.0 109.519 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.33 -27.35 42.09 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.243 -0.91 . . . . 0.0 109.742 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.536 ' CG2' ' HB3' ' A' ' 49' ' ' GLU . 96.3 t -74.91 -45.64 42.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.171 -0.956 . . . . 0.0 109.605 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.524 HG21 ' CB ' ' A' ' 83' ' ' ALA . 57.3 t -78.69 -29.68 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.223 -0.923 . . . . 0.0 109.187 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.517 ' O ' ' CG ' ' A' ' 58' ' ' GLU . 5.5 m-20 -79.31 -22.6 44.35 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.21 -0.931 . . . . 0.0 108.828 179.32 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -80.56 -49.85 10.78 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.248 -0.908 . . . . 0.0 109.331 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.472 ' HB ' ' CE2' ' A' ' 76' ' ' PHE . 35.3 m -71.69 -46.16 63.28 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.307 0 O-C-N 121.093 -1.004 . . . . 0.0 108.615 179.431 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.519 ' CB ' ' O ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -63.15 -23.14 67.3 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 179.118 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.517 ' CG ' ' O ' ' A' ' 54' ' ' ASP . 5.8 mt-10 -71.8 -52.62 16.62 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.216 -0.927 . . . . 0.0 109.342 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 33.1 m -62.74 -27.58 69.37 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.101 -0.999 . . . . 0.0 108.457 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.412 HD11 ' HG2' ' A' ' 33' ' ' LYS . 8.6 mt -67.35 -53.04 33.03 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-O 121.532 0.682 . . . . 0.0 109.786 179.666 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.31 -7.64 59.14 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.556 -0.715 . . . . 0.0 110.039 -179.653 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.416 ' HB2' ' O ' ' A' ' 58' ' ' GLU . 9.5 tp10 -80.37 -47.11 14.93 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.14 -0.975 . . . . 0.0 109.792 -179.646 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -87.06 -70.25 0.63 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.384 -0.822 . . . . 0.0 109.896 -179.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.36 -43.23 3.21 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.298 -1.521 . . . . 0.0 109.298 -179.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -118.76 36.03 4.58 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.254 -1.145 . . . . 0.0 109.293 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -100.88 168.15 20.16 Favored Glycine 0 N--CA 1.488 2.156 0 N-CA-C 109.662 -1.375 . . . . 0.0 109.662 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.451 ' HB2' ' HE2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -109.34 129.76 55.52 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.303 -1.116 . . . . 0.0 109.391 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.432 ' SG ' ' HD3' ' A' ' 29' ' ' LYS . 3.6 m -93.89 168.34 11.04 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.073 -1.017 . . . . 0.0 109.016 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -111.19 -161.14 0.74 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.142 -0.974 . . . . 0.0 109.277 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.464 ' O ' ' HB2' ' A' ' 74' ' ' MET . 0.1 OUTLIER -88.68 -43.67 11.15 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.18 -0.95 . . . . 0.0 108.978 179.92 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.456 ' HG2' ' HB ' ' B' ' 82' ' ' THR . 1.1 mt-30 -71.64 -22.8 61.64 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.293 -0.88 . . . . 0.0 109.639 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.505 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 0.5 OUTLIER -78.29 -53.71 7.01 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.221 -0.924 . . . . 0.0 109.675 -179.817 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.551 ' CD2' ' CE1' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -63.88 -21.21 66.35 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.246 -0.909 . . . . 0.0 108.881 179.868 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.551 ' HA ' ' CE ' ' A' ' 74' ' ' MET . 0.7 OUTLIER -80.17 -53.01 7.08 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.068 -1.02 . . . . 0.0 109.513 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.525 ' O ' ' CG ' ' A' ' 79' ' ' MET . . . -70.89 -15.43 62.62 Favored 'General case' 0 C--N 1.299 -1.619 0 C-N-CA 119.521 -0.871 . . . . 0.0 109.117 -179.676 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.505 ' HB2' ' O ' ' A' ' 72' ' ' GLU . 1.0 OUTLIER -80.9 -40.31 24.87 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.496 -0.752 . . . . 0.0 109.515 179.598 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.525 ' CG1' ' HE1' ' B' ' 7' ' ' MET . 87.3 t -68.23 -26.19 33.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.254 -0.904 . . . . 0.0 109.701 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.442 ' O ' ' OG1' ' A' ' 82' ' ' THR . 49.7 m -80.67 -41.76 23.19 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.107 -0.996 . . . . 0.0 111.115 -179.199 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.525 ' CG ' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -59.9 -40.4 88.67 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.818 -1.176 . . . . 0.0 110.39 -178.941 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.557 ' O ' ' CB ' ' A' ' 42' ' ' HIS . 2.5 m -75.62 -43.01 41.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.143 -0.973 . . . . 0.0 111.14 -178.53 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.5 ' OG1' ' CE ' ' B' ' 7' ' ' MET . 1.6 m -61.83 -9.68 7.28 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.695 -1.253 . . . . 0.0 110.223 -179.494 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.471 ' HB ' ' HG2' ' B' ' 71' ' ' GLN . 0.3 OUTLIER -121.69 -0.0 9.75 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.998 -1.064 . . . . 0.0 109.937 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.524 ' CB ' HG21 ' A' ' 53' ' ' VAL . . . . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.146 -0.972 . . . . 0.0 110.024 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 1' ' ' SER . . . . . 0.474 ' OG ' ' HB3' ' B' ' 4' ' ' GLU . 37.1 p . . . . . 0 N--CA 1.49 1.575 0 CA-C-O 121.252 0.549 . . . . 0.0 109.618 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.549 ' HB2' ' CG2' ' A' ' 13' ' ' VAL . 2.4 mm-40 -80.08 -44.26 20.35 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.318 -0.864 . . . . 0.0 109.866 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.507 ' CD1' HD22 ' A' ' 10' ' ' LEU . 6.3 tp -75.71 -47.41 26.23 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.359 -0.838 . . . . 0.0 110.595 -178.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . 0.523 ' O ' ' CG2' ' B' ' 8' ' ' VAL . 4.5 tt0 -64.35 -49.35 72.02 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.927 -1.108 . . . . 0.0 110.457 -178.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.69 -36.31 75.85 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.931 -1.105 . . . . 0.0 110.439 -179.192 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . 0.452 ' O ' ' HB1' ' B' ' 9' ' ' ALA . . . -80.4 -67.6 0.75 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.996 -1.065 . . . . 0.0 110.227 -179.518 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' MET . . . . . 0.525 ' HE1' ' CG1' ' A' ' 77' ' ' VAL . 4.3 tpt -45.88 -53.49 9.71 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.268 -0.895 . . . . 0.0 109.525 -179.617 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . 0.523 ' CG2' ' O ' ' B' ' 4' ' ' GLU . 21.5 t -62.13 -38.21 80.35 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.578 0 C-N-CA 119.618 -0.833 . . . . 0.0 109.146 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . 0.452 ' HB1' ' O ' ' B' ' 6' ' ' ALA . . . -53.18 -37.56 62.03 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.069 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.49 HD22 ' CD1' ' A' ' 3' ' ' LEU . 0.5 OUTLIER -55.36 -46.77 76.45 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 178.922 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.472 ' CD1' ' N ' ' B' ' 11' ' ' ILE . 1.7 mp -56.32 -32.97 36.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 179.118 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -60.06 -49.71 76.58 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.617 -0.677 . . . . 0.0 109.319 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . 0.538 ' CG2' ' HB2' ' A' ' 2' ' ' GLU . 69.1 t -49.22 -49.22 17.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.264 -0.897 . . . . 0.0 109.089 179.726 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.549 ' CE1' ' CD2' ' B' ' 73' ' ' PHE . 0.6 OUTLIER -44.76 -59.73 2.37 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.386 -0.821 . . . . 0.0 109.628 -179.925 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 29.5 t-80 -54.61 -34.84 62.69 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.154 -0.966 . . . . 0.0 109.567 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.39 -36.88 83.69 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.234 -0.916 . . . . 0.0 109.761 -179.656 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.597 ' CG ' HD22 ' B' ' 35' ' ' LEU . 72.0 m-85 -102.3 15.6 28.68 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.127 -0.983 . . . . 0.0 109.606 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.594 0 O-C-N 121.197 -0.94 . . . . 0.0 109.521 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 121.089 0.471 . . . . 0.0 110.034 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.449 ' HE2' ' HB2' ' B' ' 67' ' ' GLU . 4.9 ptmm? -119.07 129.76 55.26 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.049 -1.032 . . . . 0.0 109.222 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.416 HD21 ' HB2' ' B' ' 32' ' ' LEU . 1.7 tp -94.17 -161.87 0.89 Allowed 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.322 -0.861 . . . . 0.0 109.403 -179.731 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.467 ' O ' ' CB ' ' B' ' 32' ' ' LEU . 0.2 OUTLIER -139.93 177.5 7.92 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.267 -0.896 . . . . 0.0 109.176 179.815 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.44 ' O ' ' HB2' ' B' ' 33' ' ' LYS . 10.0 mmtp -78.67 -32.36 47.09 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.193 -0.942 . . . . 0.0 109.137 179.675 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.1 t -81.02 -35.2 32.2 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.301 -0.875 . . . . 0.0 109.607 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.475 ' O ' ' HB2' ' B' ' 35' ' ' LEU . 9.4 tt0 -81.73 -25.78 35.11 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 179.71 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.48 ' O ' HG13 ' B' ' 36' ' ' ILE . 22.3 tp -79.83 -40.52 28.31 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 179.226 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.44 ' HB2' ' O ' ' B' ' 29' ' ' LYS . 0.0 OUTLIER -64.94 -37.18 86.78 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 179.329 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.545 ' HG3' ' N ' ' B' ' 35' ' ' LEU . 0.0 OUTLIER -78.09 -31.17 49.98 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 179.697 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.597 HD22 ' CG ' ' B' ' 17' ' ' TYR . 0.2 OUTLIER -55.11 -44.6 75.11 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 178.947 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.48 HG13 ' O ' ' B' ' 32' ' ' LEU . 0.2 OUTLIER -81.32 -61.57 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.465 0 O-C-N 121.501 -0.749 . . . . 0.0 109.832 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -54.76 -11.24 0.56 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.255 -0.903 . . . . 0.0 111.63 -178.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.478 ' HB2' ' O ' ' B' ' 34' ' ' GLU . 0.3 OUTLIER -104.08 -58.21 1.91 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.448 -1.408 . . . . 0.0 110.593 -179.406 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.494 ' O ' ' HB3' ' A' ' 3' ' ' LEU . 52.8 mt-10 -111.44 31.6 6.0 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.943 -1.098 . . . . 0.0 110.385 -179.255 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.5 ' HG ' HD22 ' A' ' 3' ' ' LEU . 0.2 OUTLIER -153.0 -86.86 0.06 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.099 -1.0 . . . . 0.0 108.836 179.835 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.582 ' O ' ' CG ' ' B' ' 42' ' ' HIS . 2.8 m 63.22 6.98 2.58 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.81 -1.181 . . . . 0.0 110.539 179.251 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . 0.582 ' CG ' ' O ' ' B' ' 41' ' ' SER . 31.5 p80 38.96 27.86 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.405 -0.809 . . . . 0.0 110.035 179.785 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . 0.502 ' N ' ' O ' ' B' ' 41' ' ' SER . 36.4 m-85 60.41 105.67 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.183 -0.948 . . . . 0.0 109.386 -179.774 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.454 HD22 HD13 ' B' ' 47' ' ' ILE . 0.2 OUTLIER -91.08 126.16 36.08 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.301 -0.874 . . . . 0.0 109.553 -179.85 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.462 ' HG3' ' N ' ' B' ' 46' ' ' GLU . 8.5 pt-20 -163.89 -37.99 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.138 -0.976 . . . . 0.0 109.595 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . 0.462 ' N ' ' HG3' ' B' ' 45' ' ' GLU . 0.1 OUTLIER -144.7 -54.02 0.32 Allowed 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.227 -0.92 . . . . 0.0 108.699 179.9 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.459 ' HB ' ' O ' ' B' ' 46' ' ' GLU . 3.6 mt 63.2 100.5 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.382 -0.824 . . . . 0.0 109.697 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 12.8 tttp -89.68 -41.12 12.11 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.2 -0.937 . . . . 0.0 109.503 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.521 ' HB3' ' CG2' ' B' ' 52' ' ' VAL . 4.3 mm-40 -80.48 75.57 7.33 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.22 -0.925 . . . . 0.0 109.615 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . 0.466 ' O ' ' HB2' ' B' ' 54' ' ' ASP . 37.3 tt0 -62.13 -23.53 66.62 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.241 -0.912 . . . . 0.0 109.503 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.41 -27.36 41.79 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.274 -0.891 . . . . 0.0 109.689 -179.673 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . 0.521 ' CG2' ' HB3' ' B' ' 49' ' ' GLU . 96.8 t -74.91 -45.59 42.87 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.15 -0.969 . . . . 0.0 109.593 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.528 HG21 ' CB ' ' B' ' 83' ' ' ALA . 57.1 t -78.72 -29.64 14.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.249 -0.907 . . . . 0.0 109.173 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . 0.517 ' O ' ' CG ' ' B' ' 58' ' ' GLU . 5.4 m-20 -79.35 -22.6 44.22 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.221 -0.925 . . . . 0.0 108.863 179.293 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -80.47 -49.89 10.8 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.309 -0.87 . . . . 0.0 109.411 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.472 ' HB ' ' CE2' ' B' ' 76' ' ' PHE . 35.3 m -71.62 -46.28 63.3 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.281 0 O-C-N 121.063 -1.023 . . . . 0.0 108.58 179.449 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.528 ' CB ' ' O ' ' B' ' 53' ' ' VAL . 0.0 OUTLIER -63.0 -23.21 67.34 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 179.104 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . 0.517 ' CG ' ' O ' ' B' ' 54' ' ' ASP . 5.9 mt-10 -71.81 -52.57 16.87 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.26 -0.9 . . . . 0.0 109.42 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 33.6 m -62.86 -27.56 69.43 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.031 -1.043 . . . . 0.0 108.342 179.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.429 HD11 ' HG2' ' B' ' 33' ' ' LYS . 8.6 mt -67.4 -52.93 33.92 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-O 121.459 0.647 . . . . 0.0 109.697 179.699 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.43 -7.52 59.17 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.505 -0.747 . . . . 0.0 109.987 -179.57 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.423 ' HB2' ' O ' ' B' ' 58' ' ' GLU . 9.6 tp10 -80.59 -46.99 14.81 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.208 -0.933 . . . . 0.0 109.756 -179.557 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -87.12 -70.23 0.63 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.387 -0.821 . . . . 0.0 109.775 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.32 -43.28 3.22 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.272 -1.531 . . . . 0.0 109.272 -179.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -118.84 36.12 4.56 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.251 -1.146 . . . . 0.0 109.319 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -100.89 168.11 20.13 Favored Glycine 0 N--CA 1.488 2.131 0 N-CA-C 109.615 -1.394 . . . . 0.0 109.615 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.449 ' HB2' ' HE2' ' B' ' 26' ' ' LYS . 0.0 OUTLIER -109.32 129.79 55.51 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.271 -1.135 . . . . 0.0 109.386 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.438 ' SG ' ' HD3' ' B' ' 29' ' ' LYS . 3.6 m -93.89 168.36 11.03 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.119 -0.988 . . . . 0.0 109.029 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -111.26 -161.15 0.74 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.044 -1.035 . . . . 0.0 109.347 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.465 ' O ' ' HB2' ' B' ' 74' ' ' MET . 0.1 OUTLIER -88.7 -43.71 11.1 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.103 -0.998 . . . . 0.0 108.95 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . 0.471 ' HG2' ' HB ' ' A' ' 82' ' ' THR . 1.1 mt-30 -71.57 -22.83 61.69 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.325 -0.859 . . . . 0.0 109.579 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.504 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 0.5 OUTLIER -78.35 -53.64 7.07 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.235 -0.916 . . . . 0.0 109.647 -179.67 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.549 ' CD2' ' CE1' ' B' ' 14' ' ' PHE . 0.3 OUTLIER -63.84 -21.25 66.36 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.278 -0.888 . . . . 0.0 109.002 179.778 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 74' ' ' MET . . . . . 0.542 ' HA ' ' CE ' ' B' ' 74' ' ' MET . 0.7 OUTLIER -80.21 -52.84 7.27 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.089 -1.007 . . . . 0.0 109.522 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.516 ' O ' ' CG ' ' B' ' 79' ' ' MET . . . -70.98 -15.46 62.58 Favored 'General case' 0 C--N 1.299 -1.63 0 C-N-CA 119.51 -0.876 . . . . 0.0 109.08 -179.714 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.504 ' HB2' ' O ' ' B' ' 72' ' ' GLU . 1.0 OUTLIER -80.84 -40.35 25.04 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.456 -0.777 . . . . 0.0 109.42 179.573 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.511 ' CG1' ' HE1' ' A' ' 7' ' ' MET . 88.2 t -68.19 -26.36 33.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.255 -0.903 . . . . 0.0 109.701 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.452 ' O ' ' OG1' ' B' ' 82' ' ' THR . 50.6 m -80.6 -41.68 23.54 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.1 -1.0 . . . . 0.0 111.069 -179.135 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 79' ' ' MET . . . . . 0.516 ' CG ' ' O ' ' B' ' 75' ' ' ALA . 0.0 OUTLIER -59.94 -40.35 88.63 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.824 -1.173 . . . . 0.0 110.452 -178.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . 0.56 ' O ' ' CB ' ' B' ' 42' ' ' HIS . 2.5 m -75.64 -43.06 41.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.134 -0.979 . . . . 0.0 111.119 -178.578 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.498 ' OG1' ' CE ' ' A' ' 7' ' ' MET . 1.6 m -61.74 -9.75 7.16 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.68 -1.263 . . . . 0.0 110.305 -179.503 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.456 ' HB ' ' HG2' ' A' ' 71' ' ' GLN . 0.4 OUTLIER -121.6 -0.03 9.8 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.954 -1.091 . . . . 0.0 110.005 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . 0.528 ' CB ' HG21 ' B' ' 53' ' ' VAL . . . . . . . . 0 N--CA 1.489 1.512 0 O-C-N 121.148 -0.97 . . . . 0.0 110.053 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' SER . . . . . 0.411 ' O ' ' HB2' ' A' ' 5' ' ' LYS . 20.3 p . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.519 ' HB3' ' CG2' ' B' ' 13' ' ' VAL . 8.3 tt0 -80.21 -38.92 30.16 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.329 -0.857 . . . . 0.0 110.024 -179.578 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.604 ' CD1' ' CD2' ' B' ' 10' ' ' LEU . 16.4 tp -78.39 -52.31 8.76 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.154 -0.966 . . . . 0.0 110.057 -179.459 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.534 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 3.5 tm-20 -55.92 -34.38 65.54 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.325 -0.86 . . . . 0.0 110.03 -179.064 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 1' ' ' SER . 11.1 tptt -80.4 -51.46 8.82 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.922 -1.112 . . . . 0.0 110.254 -179.57 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.526 ' HB3' ' N ' ' B' ' 10' ' ' LEU . . . -73.45 -62.22 1.56 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.126 -0.984 . . . . 0.0 110.251 -179.364 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.536 ' CE ' HG11 ' B' ' 77' ' ' VAL . 13.9 tpt -45.5 -47.53 14.13 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.325 -0.859 . . . . 0.0 109.718 -179.466 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.534 ' CG2' ' O ' ' A' ' 4' ' ' GLU . 40.0 t -71.9 -30.44 37.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.371 -0.83 . . . . 0.0 109.996 -179.588 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.501 ' CB ' ' HB3' ' B' ' 6' ' ' ALA . . . -60.23 -54.59 43.94 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.058 -1.026 . . . . 0.0 109.53 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.6 ' CD1' ' N ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -52.26 -41.09 62.54 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.179 -0.951 . . . . 0.0 108.8 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.6 ' N ' ' CD1' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -63.17 -35.69 72.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 120.953 -1.092 . . . . 0.0 108.328 179.697 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 13' ' ' VAL . 9.2 t0 -56.66 -44.24 81.15 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 178.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.497 ' CG2' ' HB3' ' B' ' 2' ' ' GLU . 14.0 t -47.41 -43.0 8.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 178.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.589 ' CE2' ' HB3' ' A' ' 70' ' ' PHE . 77.6 t80 -48.01 -49.68 30.18 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.346 -0.847 . . . . 0.0 108.839 179.402 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 32.7 t-80 -60.4 -36.04 77.17 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.399 -0.813 . . . . 0.0 109.408 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -54.73 -52.79 61.39 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.278 -0.889 . . . . 0.0 109.392 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.578 ' CD2' HD22 ' A' ' 35' ' ' LEU . 83.5 m-85 -87.87 0.05 56.33 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.303 -0.873 . . . . 0.0 109.487 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.0 t . . . . . 0 N--CA 1.489 1.511 0 O-C-N 121.213 -0.93 . . . . 0.0 109.324 179.975 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.87 128.33 14.98 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.139 -0.976 . . . . 0.0 109.735 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.457 HD23 ' HG2' ' A' ' 31' ' ' GLU . 1.6 mt -111.24 -157.57 0.62 Allowed 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 179.708 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' A' ' 66' ' ' GLY . 14.2 mtpt -141.07 173.78 11.16 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.945 -1.097 . . . . 0.0 109.641 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.434 ' HB2' ' O ' ' A' ' 63' ' ' ASP . 4.7 mmtt -74.43 -31.81 62.43 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.325 -0.859 . . . . 0.0 109.657 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.409 ' HB2' ' O ' ' A' ' 64' ' ' GLY . 46.9 t -73.43 -26.43 60.95 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.138 -0.976 . . . . 0.0 109.512 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.472 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 1.2 tt0 -87.36 -19.9 27.49 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.056 -1.027 . . . . 0.0 108.478 179.476 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.47 ' O ' HG13 ' A' ' 36' ' ' ILE . 10.4 tp -80.91 -38.03 28.64 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 178.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.464 ' HB2' HD21 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -63.6 -36.81 85.03 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.262 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.551 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 9.5 pt-20 -78.58 -38.33 40.4 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 179.587 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.578 HD22 ' CD2' ' A' ' 17' ' ' TYR . 0.2 OUTLIER -48.02 -49.91 29.47 Favored 'General case' 0 C--N 1.295 -1.793 0 CA-C-O 121.489 0.661 . . . . 0.0 109.255 179.548 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -82.33 -52.41 13.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.536 -0.727 . . . . 0.0 110.909 -179.259 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -72.96 3.93 4.79 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.312 -0.868 . . . . 0.0 111.494 -178.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.551 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 55.4 t30 -119.95 -73.92 0.63 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.761 -1.212 . . . . 0.0 110.175 -179.638 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.458 ' HB3' ' HB3' ' B' ' 3' ' ' LEU . 4.2 mp0 -63.77 -41.99 97.88 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.063 -1.023 . . . . 0.0 109.778 -179.507 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.487 ' O ' ' C ' ' A' ' 41' ' ' SER . 2.2 tt -75.24 -89.1 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.189 -0.945 . . . . 0.0 109.313 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.487 ' C ' ' O ' ' A' ' 40' ' ' LEU . 5.6 t 31.56 95.23 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.342 -0.849 . . . . 0.0 111.047 179.316 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -172.69 -56.4 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.878 -1.139 . . . . 0.0 109.854 179.641 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -82.96 -2.2 54.51 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.199 -0.938 . . . . 0.0 109.708 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.04 99.79 2.36 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.158 -0.964 . . . . 0.0 109.567 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -127.94 -62.7 1.05 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.273 -0.892 . . . . 0.0 109.138 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.449 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 9.7 pt-20 -117.74 -27.27 6.29 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.423 -0.798 . . . . 0.0 109.192 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.449 ' HB ' ' O ' ' A' ' 46' ' ' GLU . 3.1 mt 65.86 113.88 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.366 -0.834 . . . . 0.0 109.679 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.37 -42.37 10.96 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.174 -0.954 . . . . 0.0 109.189 179.693 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.457 ' HB3' ' HB ' ' A' ' 52' ' ' VAL . 13.6 mm-40 -88.08 62.67 6.92 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.291 -0.88 . . . . 0.0 109.352 179.628 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.471 ' O ' ' HB2' ' A' ' 54' ' ' ASP . 34.6 tt0 -49.27 -22.9 1.17 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.179 -0.951 . . . . 0.0 109.534 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -78.79 -41.67 29.81 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.249 -0.907 . . . . 0.0 109.701 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.457 ' HB ' ' HB3' ' A' ' 49' ' ' GLU . 77.0 t -61.82 -55.07 26.68 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.167 -0.958 . . . . 0.0 109.667 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.423 ' O ' ' HB2' ' A' ' 57' ' ' MET . 81.1 t -66.39 -27.67 41.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.333 -0.854 . . . . 0.0 109.644 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.487 ' O ' ' HG3' ' A' ' 58' ' ' GLU . 50.8 m-20 -75.7 -22.99 56.12 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.11 -0.993 . . . . 0.0 109.078 179.777 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.34 -51.59 9.22 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.302 -0.874 . . . . 0.0 109.762 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.588 HG13 ' CD2' ' A' ' 76' ' ' PHE . 12.0 m -70.5 -39.77 76.62 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.354 0 O-C-N 121.164 -0.96 . . . . 0.0 109.213 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.423 ' HB2' ' O ' ' A' ' 53' ' ' VAL . 26.2 tpp -68.6 -26.99 65.65 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.451 -0.781 . . . . 0.0 109.122 179.537 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.487 ' HG3' ' O ' ' A' ' 54' ' ' ASP . 0.7 OUTLIER -73.11 -50.21 24.11 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.164 -0.96 . . . . 0.0 109.117 179.69 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 25.1 m -65.52 -24.11 67.04 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 179.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.464 HD21 ' HB2' ' A' ' 33' ' ' LYS . 10.5 mt -70.2 -52.77 20.78 Favored 'General case' 0 N--CA 1.487 1.388 0 CA-C-O 121.432 0.634 . . . . 0.0 109.7 179.761 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.77 -15.22 60.29 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.434 -0.791 . . . . 0.0 110.078 -179.525 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -79.05 -35.21 42.91 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.003 -1.061 . . . . 0.0 109.717 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.434 ' O ' ' HB2' ' A' ' 29' ' ' LYS . 6.1 m-20 -139.59 47.91 1.85 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.232 -0.917 . . . . 0.0 109.7 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.409 ' O ' ' HB2' ' A' ' 30' ' ' SER . . . -47.98 -25.88 4.06 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.388 -1.485 . . . . 0.0 109.388 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -101.67 44.46 1.01 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.389 -1.066 . . . . 0.0 109.431 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.462 ' O ' ' HG2' ' A' ' 28' ' ' LYS . . . -114.09 -168.56 16.39 Favored Glycine 0 N--CA 1.487 2.057 0 N-CA-C 109.65 -1.38 . . . . 0.0 109.65 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -122.39 134.68 54.61 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.235 -1.156 . . . . 0.0 109.544 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -122.41 161.84 22.74 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.275 -0.89 . . . . 0.0 109.431 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -96.79 165.21 12.23 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.232 -0.917 . . . . 0.0 109.151 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.589 ' HB3' ' CE2' ' A' ' 14' ' ' PHE . 35.5 p90 -63.97 -46.71 83.44 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.02 -1.05 . . . . 0.0 109.08 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.581 ' N ' ' CG ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -65.71 -25.72 67.44 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.243 -0.91 . . . . 0.0 109.027 179.745 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.534 ' N ' ' HG3' ' A' ' 71' ' ' GLN . 0.7 OUTLIER -70.77 -68.63 0.42 Allowed 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 179.253 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.449 ' CE2' ' HG ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -48.49 -28.5 3.37 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 178.811 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.557 ' CE ' HD13 ' A' ' 10' ' ' LEU . 49.3 mmm -64.87 -57.64 8.29 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.479 -0.763 . . . . 0.0 109.696 -179.672 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.478 ' O ' ' HG3' ' A' ' 79' ' ' MET . . . -61.73 -23.14 65.95 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.251 -0.906 . . . . 0.0 109.051 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.588 ' CD2' HG13 ' A' ' 56' ' ' VAL . 1.1 m-85 -75.34 -32.44 60.9 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 179.551 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.52 HG11 ' CE ' ' B' ' 7' ' ' MET . 65.4 t -69.52 -26.16 30.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.545 -0.722 . . . . 0.0 109.191 179.592 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 24.4 p -78.77 -55.2 5.35 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.314 -0.866 . . . . 0.0 110.312 -179.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.478 ' HG3' ' O ' ' A' ' 75' ' ' ALA . 1.1 mtt -49.01 -49.05 42.86 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.18 -0.95 . . . . 0.0 109.481 -179.395 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.43 HG23 HG23 ' A' ' 36' ' ' ILE . 33.3 m -68.98 -48.04 72.29 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 O-C-N 121.45 -0.781 . . . . 0.0 110.279 -179.174 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.467 ' OG1' ' O ' ' A' ' 77' ' ' VAL . 26.0 m -68.15 -6.11 21.53 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.106 -0.996 . . . . 0.0 109.834 -179.729 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 81.3 p -119.31 -9.34 9.94 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.117 -0.989 . . . . 0.0 109.622 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.577 0 O-C-N 121.286 -0.884 . . . . 0.0 109.665 -179.911 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 1' ' ' SER . . . . . 0.404 ' O ' ' HB2' ' B' ' 5' ' ' LYS . 20.3 p . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.497 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 8.3 tt0 -80.18 -38.89 30.36 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.299 -0.875 . . . . 0.0 110.035 -179.582 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.586 ' CD1' ' CD2' ' A' ' 10' ' ' LEU . 16.4 tp -78.41 -52.4 8.62 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.159 -0.963 . . . . 0.0 109.986 -179.475 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . 0.532 ' O ' ' CG2' ' B' ' 8' ' ' VAL . 3.6 tm-20 -55.84 -34.29 65.27 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 121.175 -0.953 . . . . 0.0 110.116 -179.059 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' B' ' 1' ' ' SER . 11.1 tptt -80.6 -51.36 8.83 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.936 -1.103 . . . . 0.0 110.205 -179.519 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . 0.523 ' HB3' ' N ' ' A' ' 10' ' ' LEU . . . -73.46 -62.25 1.55 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.99 -1.069 . . . . 0.0 110.221 -179.438 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' MET . . . . . 0.52 ' CE ' HG11 ' A' ' 77' ' ' VAL . 13.9 tpt -45.5 -47.41 14.16 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.458 -0.776 . . . . 0.0 109.772 -179.435 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . 0.532 ' CG2' ' O ' ' B' ' 4' ' ' GLU . 40.2 t -71.95 -30.51 37.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.412 -0.805 . . . . 0.0 109.982 -179.549 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . 0.52 ' CB ' ' HB3' ' A' ' 6' ' ' ALA . . . -60.26 -54.55 44.4 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.067 -1.021 . . . . 0.0 109.549 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.604 ' CD2' ' CD1' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -52.2 -41.29 62.56 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.244 -0.91 . . . . 0.0 108.688 179.946 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.594 ' N ' ' CD1' ' B' ' 10' ' ' LEU . 0.5 OUTLIER -63.05 -35.65 72.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.061 -1.024 . . . . 0.0 108.4 179.731 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -56.71 -44.31 81.45 Favored 'General case' 0 C--N 1.306 -1.322 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 178.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . 0.519 ' CG2' ' HB3' ' A' ' 2' ' ' GLU . 14.0 t -47.35 -43.07 8.02 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 178.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.592 ' CE2' ' HB3' ' B' ' 70' ' ' PHE . 77.6 t80 -47.94 -49.7 29.4 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.389 -0.819 . . . . 0.0 108.826 179.405 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 32.7 t-80 -60.46 -36.04 77.29 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.318 -0.864 . . . . 0.0 109.367 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -54.66 -52.77 61.29 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.167 -0.958 . . . . 0.0 109.402 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.569 ' CD2' HD22 ' B' ' 35' ' ' LEU . 83.6 m-85 -87.96 0.01 56.44 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.373 -0.829 . . . . 0.0 109.464 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 3.0 t . . . . . 0 N--CA 1.49 1.531 0 O-C-N 121.249 -0.907 . . . . 0.0 109.346 179.952 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.99 128.31 14.85 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.276 -0.89 . . . . 0.0 109.663 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.461 HD23 ' HG2' ' B' ' 31' ' ' GLU . 1.6 mt -111.23 -157.54 0.62 Allowed 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.339 -0.85 . . . . 0.0 108.913 179.743 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.456 ' HG2' ' O ' ' B' ' 66' ' ' GLY . 14.3 mtpt -141.15 173.72 11.22 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.988 -1.07 . . . . 0.0 109.588 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.434 ' HB2' ' O ' ' B' ' 63' ' ' ASP . 4.7 mmtt -74.34 -31.77 62.55 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.319 -0.863 . . . . 0.0 109.71 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.409 ' HB2' ' O ' ' B' ' 64' ' ' GLY . 47.1 t -73.5 -26.44 60.89 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.15 -0.969 . . . . 0.0 109.509 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.472 ' O ' ' HG2' ' B' ' 34' ' ' GLU . 1.2 tt0 -87.3 -19.9 27.59 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.048 -1.032 . . . . 0.0 108.492 179.358 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.459 ' O ' HG13 ' B' ' 36' ' ' ILE . 10.4 tp -80.96 -37.95 28.55 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 178.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.461 ' HG3' HD11 ' B' ' 60' ' ' LEU . 0.2 OUTLIER -63.67 -36.77 84.95 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 179.179 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.547 ' O ' ' CB ' ' B' ' 38' ' ' ASN . 9.5 pt-20 -78.59 -38.34 40.26 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 179.567 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.572 ' CD1' ' CD2' ' A' ' 3' ' ' LEU . 0.2 OUTLIER -48.13 -49.82 30.83 Favored 'General case' 0 C--N 1.293 -1.854 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.591 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.459 HG13 ' O ' ' B' ' 32' ' ' LEU . 0.1 OUTLIER -82.36 -52.27 13.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.53 -0.731 . . . . 0.0 110.975 -179.35 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -73.03 3.83 4.98 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.252 -0.905 . . . . 0.0 111.53 -178.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.547 ' CB ' ' O ' ' B' ' 34' ' ' GLU . 55.2 t30 -119.89 -73.9 0.63 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.731 -1.231 . . . . 0.0 110.198 -179.589 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.486 ' HB3' ' HB3' ' A' ' 3' ' ' LEU . 4.2 mp0 -63.67 -42.13 98.09 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.083 -1.011 . . . . 0.0 109.81 -179.575 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.499 ' O ' ' C ' ' B' ' 41' ' ' SER . 2.3 tt -75.19 -89.04 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.105 -0.997 . . . . 0.0 109.357 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.499 ' C ' ' O ' ' B' ' 40' ' ' LEU . 5.6 t 31.49 95.24 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.34 -0.85 . . . . 0.0 111.015 179.24 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -172.64 -56.45 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.936 -1.103 . . . . 0.0 109.898 179.613 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -82.93 -2.17 54.27 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.204 -0.935 . . . . 0.0 109.745 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.11 99.78 2.39 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.115 -0.99 . . . . 0.0 109.553 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -127.92 -62.64 1.05 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.363 -0.836 . . . . 0.0 109.221 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . 0.447 ' O ' ' HB ' ' B' ' 47' ' ' ILE . 9.6 pt-20 -117.76 -27.26 6.29 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.504 -0.747 . . . . 0.0 109.279 179.749 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.447 ' HB ' ' O ' ' B' ' 46' ' ' GLU . 3.1 mt 65.86 113.82 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.331 -0.856 . . . . 0.0 109.696 179.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.27 -42.47 10.97 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.138 -0.976 . . . . 0.0 109.179 179.709 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.445 ' HB3' ' HB ' ' B' ' 52' ' ' VAL . 13.5 mm-40 -88.07 62.65 6.91 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.28 -0.887 . . . . 0.0 109.251 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . 0.467 ' O ' ' HB2' ' B' ' 54' ' ' ASP . 34.6 tt0 -49.18 -22.95 1.11 Allowed 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.285 -0.884 . . . . 0.0 109.575 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -78.75 -41.73 29.95 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.288 -0.882 . . . . 0.0 109.679 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . 0.453 HG11 ' HB3' ' B' ' 79' ' ' MET . 78.0 t -61.89 -54.98 27.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.133 -0.98 . . . . 0.0 109.66 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.44 ' O ' ' HB2' ' B' ' 57' ' ' MET . 80.9 t -66.55 -27.51 40.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.21 -0.931 . . . . 0.0 109.683 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . 0.482 ' O ' ' HG3' ' B' ' 58' ' ' GLU . 51.0 m-20 -75.76 -23.05 55.94 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.107 -0.996 . . . . 0.0 109.073 179.695 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.23 -51.73 9.09 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.209 -0.932 . . . . 0.0 109.733 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.586 HG13 ' CD2' ' B' ' 76' ' ' PHE . 12.0 m -70.39 -39.95 77.07 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 O-C-N 121.014 -1.054 . . . . 0.0 109.167 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.44 ' HB2' ' O ' ' B' ' 53' ' ' VAL . 26.2 tpp -68.5 -27.11 65.84 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.454 -0.779 . . . . 0.0 109.049 179.589 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' B' ' 54' ' ' ASP . 0.7 OUTLIER -73.03 -50.29 23.91 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.155 -0.966 . . . . 0.0 109.135 179.704 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 24.8 m -65.4 -24.1 67.12 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.082 -1.012 . . . . 0.0 108.343 179.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.461 HD11 ' HG3' ' B' ' 33' ' ' LYS . 10.5 mt -70.27 -52.75 20.6 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.672 -0.643 . . . . 0.0 109.675 179.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.81 -15.2 60.28 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.433 -0.792 . . . . 0.0 110.014 -179.478 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -79.03 -35.28 42.94 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.053 -1.029 . . . . 0.0 109.676 -179.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.434 ' O ' ' HB2' ' B' ' 29' ' ' LYS . 6.1 m-20 -139.54 48.04 1.85 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.245 -0.909 . . . . 0.0 109.666 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . 0.409 ' O ' ' HB2' ' B' ' 30' ' ' SER . . . -48.04 -25.94 4.18 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.399 -1.48 . . . . 0.0 109.399 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -101.6 44.38 1.02 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.348 -1.089 . . . . 0.0 109.426 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . 0.456 ' O ' ' HG2' ' B' ' 28' ' ' LYS . . . -114.0 -168.6 16.47 Favored Glycine 0 N--CA 1.487 2.055 0 N-CA-C 109.691 -1.364 . . . . 0.0 109.691 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -122.38 134.65 54.62 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.362 -1.081 . . . . 0.0 109.508 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -122.37 161.79 22.78 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.31 -0.868 . . . . 0.0 109.463 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -96.71 165.17 12.26 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.231 -0.918 . . . . 0.0 109.07 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.594 ' CG ' ' N ' ' B' ' 71' ' ' GLN . 35.3 p90 -64.01 -46.58 83.87 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.036 -1.04 . . . . 0.0 109.133 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . 0.594 ' N ' ' CG ' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -65.74 -25.74 67.42 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.254 -0.904 . . . . 0.0 109.07 179.674 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.531 ' N ' ' HG3' ' B' ' 71' ' ' GLN . 0.7 OUTLIER -70.66 -68.65 0.42 Allowed 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 179.231 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.448 ' CE2' ' HG ' ' B' ' 35' ' ' LEU . 0.0 OUTLIER -48.44 -28.48 3.31 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 178.832 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 74' ' ' MET . . . . . 0.553 ' CE ' HD13 ' B' ' 10' ' ' LEU . 49.6 mmm -64.86 -57.73 8.06 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.488 -0.758 . . . . 0.0 109.714 -179.663 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.48 ' O ' ' HG3' ' B' ' 79' ' ' MET . . . -61.77 -22.98 65.89 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.139 -0.976 . . . . 0.0 109.055 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.586 ' CD2' HG13 ' B' ' 56' ' ' VAL . 1.1 m-85 -75.4 -32.45 60.75 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 179.505 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.536 HG11 ' CE ' ' A' ' 7' ' ' MET . 65.3 t -69.55 -26.01 30.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.51 -0.744 . . . . 0.0 109.195 179.612 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 24.4 p -78.87 -55.19 5.34 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.397 -0.814 . . . . 0.0 110.297 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 79' ' ' MET . . . . . 0.48 ' HG3' ' O ' ' B' ' 75' ' ' ALA . 1.1 mtt -49.02 -48.95 43.29 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.144 -0.973 . . . . 0.0 109.471 -179.334 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . 0.426 HG23 HG23 ' B' ' 36' ' ' ILE . 33.3 m -69.03 -47.99 72.28 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.417 0 O-C-N 121.379 -0.825 . . . . 0.0 110.342 -179.139 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.484 ' CG2' ' CD1' ' A' ' 11' ' ' ILE . 25.9 m -68.12 -6.12 21.38 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.052 -1.03 . . . . 0.0 109.87 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 81.5 p -119.31 -9.28 9.95 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.115 -0.991 . . . . 0.0 109.654 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . 0.402 ' HB3' ' HB ' ' B' ' 52' ' ' VAL . . . . . . . . 0 N--CA 1.49 1.57 0 O-C-N 121.147 -0.971 . . . . 0.0 109.665 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 90.9 p . . . . . 0 N--CA 1.489 1.517 0 CA-C-O 121.274 0.559 . . . . 0.0 109.513 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.534 ' HB3' ' CG2' ' B' ' 13' ' ' VAL . 0.6 OUTLIER -72.72 -47.47 46.77 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.292 -0.88 . . . . 0.0 109.596 -179.844 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.443 HD22 ' HB3' ' B' ' 39' ' ' GLU . 16.6 tp -71.77 -47.97 49.92 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.276 -0.89 . . . . 0.0 109.672 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.563 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 56.3 tt0 -54.13 -49.28 69.56 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.258 -0.901 . . . . 0.0 110.251 -179.18 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.432 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 21.1 mtpp -64.79 -38.85 92.36 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 120.578 -1.326 . . . . 0.0 110.709 -178.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.515 ' HB3' ' N ' ' B' ' 10' ' ' LEU . . . -80.11 -71.13 0.47 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.937 -1.102 . . . . 0.0 110.237 -179.409 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.485 ' HG3' HG23 ' B' ' 81' ' ' THR . 8.2 tpt -44.56 -47.43 10.24 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.406 -0.809 . . . . 0.0 110.22 -179.435 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.563 ' CG2' ' O ' ' A' ' 4' ' ' GLU . 11.1 t -70.03 -32.98 53.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.194 -0.941 . . . . 0.0 109.709 -179.45 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.511 ' CB ' ' CB ' ' B' ' 6' ' ' ALA . . . -62.81 -31.42 72.41 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.119 -0.988 . . . . 0.0 109.115 179.505 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.521 ' N ' ' HB3' ' B' ' 6' ' ' ALA . 0.4 OUTLIER -65.15 -48.57 73.07 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.262 -0.898 . . . . 0.0 108.791 179.679 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.522 ' CD1' HG23 ' B' ' 81' ' ' THR . 1.5 mp -53.83 -31.64 20.77 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.416 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -59.71 -51.62 69.0 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.324 -0.86 . . . . 0.0 109.008 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.53 ' CG2' ' HB3' ' B' ' 2' ' ' GLU . 48.3 t -49.04 -33.93 6.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.369 -0.832 . . . . 0.0 109.343 179.655 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.428 ' CE2' ' HA ' ' A' ' 70' ' ' PHE . 9.9 t80 -58.85 -47.33 85.26 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.378 -0.826 . . . . 0.0 109.892 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 23.9 t-80 -79.93 -2.32 43.29 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.23 -0.919 . . . . 0.0 109.782 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -87.62 -20.96 25.64 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.166 -0.959 . . . . 0.0 109.663 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -117.65 -32.32 4.9 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.284 -0.885 . . . . 0.0 109.799 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.58 0 O-C-N 121.239 -0.913 . . . . 0.0 109.616 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 . . . . . 0 N--CA 1.488 1.465 0 CA-C-O 121.214 0.53 . . . . 0.0 109.956 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.432 ' HD2' ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -150.49 131.63 14.44 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.07 -1.019 . . . . 0.0 109.686 179.786 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -98.88 -160.74 0.82 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.263 -0.898 . . . . 0.0 109.346 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.407 ' O ' ' CB ' ' A' ' 32' ' ' LEU . 2.2 mtmt -149.16 -175.63 5.05 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.117 -0.989 . . . . 0.0 109.568 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.438 ' HB2' ' C ' ' A' ' 64' ' ' GLY . 30.6 mmtt -92.09 -22.1 20.09 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.271 -0.893 . . . . 0.0 109.457 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.8 t -80.25 -44.24 20.01 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.105 -0.997 . . . . 0.0 109.113 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.465 ' O ' ' HG3' ' A' ' 34' ' ' GLU . 1.1 tp10 -77.81 -23.94 48.92 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 179.152 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.486 ' O ' HG13 ' A' ' 36' ' ' ILE . 10.7 tp -75.98 -40.59 53.52 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 178.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.475 ' HB2' HD21 ' A' ' 60' ' ' LEU . 8.7 tmtt? -58.96 -45.58 90.18 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 179.041 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.557 ' HG3' ' N ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -69.91 -32.77 71.25 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 179.359 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.557 ' N ' ' HG3' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -57.0 -42.23 79.92 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-O 121.343 0.592 . . . . 0.0 109.422 179.817 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.539 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -74.28 -55.23 12.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.29 -0.882 . . . . 0.0 109.28 179.928 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.47 ' HA ' ' HB2' ' A' ' 41' ' ' SER . 53.6 t-20 -69.95 -1.45 9.7 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.21 -0.931 . . . . 0.0 110.175 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.536 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 9.9 t30 -87.87 -37.89 16.11 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.077 -1.014 . . . . 0.0 109.385 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.496 ' HG2' ' N ' ' B' ' 4' ' ' GLU . 6.9 tp10 -130.57 -37.84 1.36 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.377 -0.827 . . . . 0.0 109.26 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.539 ' CD2' ' HA ' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -71.36 -2.97 18.22 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.216 -0.928 . . . . 0.0 109.934 -179.429 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.47 ' HB2' ' HA ' ' A' ' 37' ' ' ASN . 32.1 t -80.28 -13.56 59.1 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.163 -0.96 . . . . 0.0 109.394 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -61.92 -25.35 67.53 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.299 -0.876 . . . . 0.0 109.696 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -113.41 58.12 0.67 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.229 -0.92 . . . . 0.0 109.587 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.09 63.55 1.24 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.206 -0.934 . . . . 0.0 109.593 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -124.92 -35.36 2.69 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.275 -0.891 . . . . 0.0 109.386 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.433 ' O ' ' O ' ' A' ' 47' ' ' ILE . 3.5 mm-40 -122.65 -40.78 2.42 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.436 -0.79 . . . . 0.0 109.277 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.491 HD11 HG22 ' A' ' 47' ' ' ILE . 24.2 mt 61.54 121.83 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.367 -0.833 . . . . 0.0 109.506 179.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -96.96 -56.24 2.62 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.205 -0.935 . . . . 0.0 109.467 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.462 ' HB3' ' CG2' ' A' ' 52' ' ' VAL . 1.1 mm-40 -87.85 80.55 7.8 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.225 -0.922 . . . . 0.0 109.404 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.509 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 15.7 tm0? -59.07 -22.68 61.15 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.212 -0.93 . . . . 0.0 109.642 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -79.57 -38.03 35.02 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.306 -0.871 . . . . 0.0 109.44 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.462 ' CG2' ' HB3' ' A' ' 49' ' ' GLU . 95.7 t -64.34 -57.78 10.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.206 -0.934 . . . . 0.0 109.511 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.403 HG21 ' HB2' ' A' ' 83' ' ' ALA . 92.7 t -65.51 -29.47 47.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.227 -0.921 . . . . 0.0 109.485 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.509 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 50.1 t0 -74.14 -22.92 59.25 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.184 -0.948 . . . . 0.0 108.941 179.745 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.25 -52.83 7.26 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.392 -0.818 . . . . 0.0 109.677 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 31.5 m -65.04 -48.17 85.0 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 O-C-N 121.1 -1.0 . . . . 0.0 109.313 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 55.0 tpp -62.39 -22.73 66.37 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.224 -0.923 . . . . 0.0 108.848 179.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.462 ' HG3' ' O ' ' A' ' 54' ' ' ASP . 3.5 mt-10 -72.33 -55.5 7.02 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.462 -0.774 . . . . 0.0 109.585 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.51 -29.41 69.98 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.045 -1.035 . . . . 0.0 108.326 179.421 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.475 HD21 ' HB2' ' A' ' 33' ' ' LYS . 9.8 mt -63.58 -53.52 50.49 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 179.433 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.97 -5.72 56.21 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.547 -0.721 . . . . 0.0 109.39 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -72.24 -28.59 63.25 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.327 -0.858 . . . . 0.0 109.324 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -145.01 -58.69 0.35 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.312 -0.868 . . . . 0.0 109.825 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.438 ' C ' ' HB2' ' A' ' 29' ' ' LYS . . . 79.95 -6.96 57.69 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.731 -1.348 . . . . 0.0 109.731 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -130.39 23.58 5.15 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.252 -1.146 . . . . 0.0 109.389 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.98 178.95 43.88 Favored Glycine 0 N--CA 1.49 2.235 0 N-CA-C 109.594 -1.402 . . . . 0.0 109.594 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -106.73 140.52 39.44 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.261 -1.141 . . . . 0.0 109.466 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.3 m -115.91 157.67 24.16 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.283 -0.885 . . . . 0.0 109.509 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -101.3 -163.07 0.98 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.203 -0.936 . . . . 0.0 109.298 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.58 ' CD2' ' HG3' ' A' ' 71' ' ' GLN . 1.3 p90 -88.04 -47.53 8.45 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.218 -0.926 . . . . 0.0 109.239 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.58 ' HG3' ' CD2' ' A' ' 70' ' ' PHE . 7.5 mt-30 -70.99 -16.36 62.63 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.183 -0.948 . . . . 0.0 109.093 179.626 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.65 -59.41 2.69 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.343 -0.848 . . . . 0.0 109.054 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.58 ' O ' ' CD1' ' A' ' 73' ' ' PHE . 1.7 t80 -63.27 -19.55 64.67 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.258 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.463 ' HB2' ' O ' ' A' ' 70' ' ' PHE . 7.7 mmm -79.98 -52.44 7.84 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.285 -0.884 . . . . 0.0 109.021 179.711 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.479 ' O ' ' HG3' ' A' ' 79' ' ' MET . . . -68.65 -16.04 63.71 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.209 -0.932 . . . . 0.0 108.856 179.585 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.465 ' O ' HG23 ' A' ' 80' ' ' VAL . 1.7 m-85 -78.2 -37.69 45.02 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.475 -0.766 . . . . 0.0 109.304 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.567 HG22 ' CE1' ' A' ' 73' ' ' PHE . 78.2 t -75.33 -30.34 22.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.431 -0.793 . . . . 0.0 109.755 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.419 ' HB3' ' HE1' ' B' ' 74' ' ' MET . 37.9 m -77.13 -38.22 52.48 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.15 -0.969 . . . . 0.0 110.253 -179.455 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.479 ' HG3' ' O ' ' A' ' 75' ' ' ALA . 1.2 mmm -60.67 -50.44 73.49 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.055 -1.028 . . . . 0.0 110.395 -179.468 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.522 HG22 ' CD2' ' A' ' 40' ' ' LEU . 1.7 m -68.25 -36.2 74.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.122 -0.986 . . . . 0.0 110.487 -179.005 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.549 HG23 ' CD1' ' B' ' 11' ' ' ILE . 10.4 m -67.75 -7.79 30.25 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.989 -1.069 . . . . 0.0 110.134 -179.318 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.48 ' HB ' ' HG2' ' B' ' 71' ' ' GLN . 27.0 p -120.78 -10.54 9.14 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.914 -1.116 . . . . 0.0 109.614 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.416 ' HB3' ' HB ' ' A' ' 52' ' ' VAL . . . . . . . . 0 N--CA 1.489 1.499 0 O-C-N 121.158 -0.964 . . . . 0.0 109.396 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 91.2 p . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.53 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -72.7 -47.38 47.74 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.276 -0.89 . . . . 0.0 109.591 -179.835 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.457 HD21 HD12 ' A' ' 35' ' ' LEU . 16.7 tp -71.78 -48.08 49.05 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.243 -0.911 . . . . 0.0 109.693 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . 0.563 ' O ' ' CG2' ' B' ' 8' ' ' VAL . 56.1 tt0 -54.21 -49.07 70.26 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 121.285 -0.885 . . . . 0.0 110.277 -179.115 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.433 ' O ' ' HB3' ' B' ' 9' ' ' ALA . 21.0 mtpp -64.79 -38.85 92.38 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 120.733 -1.229 . . . . 0.0 110.721 -179.023 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . 0.521 ' HB3' ' N ' ' A' ' 10' ' ' LEU . . . -80.19 -71.08 0.47 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.847 -1.158 . . . . 0.0 110.205 -179.373 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' MET . . . . . 0.497 ' SD ' ' CG1' ' A' ' 77' ' ' VAL . 8.2 tpt -44.68 -47.31 10.58 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.408 -0.808 . . . . 0.0 110.251 -179.365 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . 0.563 ' CG2' ' O ' ' B' ' 4' ' ' GLU . 11.3 t -70.14 -32.96 52.84 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.531 0 O-C-N 121.196 -0.94 . . . . 0.0 109.681 -179.466 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . 0.503 ' CB ' ' CB ' ' A' ' 6' ' ' ALA . . . -62.75 -31.38 72.31 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.162 -0.961 . . . . 0.0 109.095 179.46 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.515 ' N ' ' HB3' ' A' ' 6' ' ' ALA . 0.4 OUTLIER -65.28 -48.47 73.08 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.237 -0.914 . . . . 0.0 108.835 179.712 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.549 ' CD1' HG23 ' A' ' 81' ' ' THR . 1.5 mp -53.83 -31.6 20.72 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 O-C-N 121.23 -0.919 . . . . 0.0 108.641 179.363 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -59.7 -51.66 68.83 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.406 -0.809 . . . . 0.0 109.028 179.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . 0.534 ' CG2' ' HB3' ' A' ' 2' ' ' GLU . 48.4 t -49.04 -33.93 6.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.366 -0.834 . . . . 0.0 109.29 179.655 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.432 ' CE2' ' HA ' ' B' ' 70' ' ' PHE . 10.1 t80 -58.92 -47.24 85.74 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.303 -0.873 . . . . 0.0 109.847 -179.743 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 23.9 t-80 -79.99 -2.44 44.05 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.192 -0.943 . . . . 0.0 109.726 -179.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -87.4 -21.05 25.86 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.153 -0.967 . . . . 0.0 109.678 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -117.67 -32.3 4.9 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.169 -0.957 . . . . 0.0 109.767 -179.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.655 0 O-C-N 121.276 -0.89 . . . . 0.0 109.553 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 121.196 0.522 . . . . 0.0 109.909 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.426 ' HD2' ' C ' ' B' ' 26' ' ' LYS . 0.0 OUTLIER -150.44 131.63 14.48 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.151 -0.968 . . . . 0.0 109.617 179.777 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -98.92 -160.71 0.82 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.252 -0.905 . . . . 0.0 109.282 179.782 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.405 ' O ' ' CB ' ' B' ' 32' ' ' LEU . 2.2 mtmt -149.21 -175.63 5.05 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.247 -0.908 . . . . 0.0 109.497 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.437 ' HB2' ' C ' ' B' ' 64' ' ' GLY . 30.6 mmtt -91.97 -22.33 20.07 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.22 -0.925 . . . . 0.0 109.478 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 30.8 t -80.13 -44.19 20.34 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.198 -0.939 . . . . 0.0 109.124 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.466 ' O ' ' HG3' ' B' ' 34' ' ' GLU . 1.1 tp10 -77.86 -23.98 48.68 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 179.229 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.48 ' O ' HG13 ' B' ' 36' ' ' ILE . 10.9 tp -75.77 -40.69 54.85 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 178.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.466 ' HB2' HD21 ' B' ' 60' ' ' LEU . 8.8 tmtt? -58.91 -45.64 89.81 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 179.093 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.55 ' HG3' ' N ' ' B' ' 35' ' ' LEU . 0.0 OUTLIER -69.94 -32.61 70.97 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 179.393 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.55 ' N ' ' HG3' ' B' ' 34' ' ' GLU . 0.2 OUTLIER -57.07 -42.29 80.34 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 179.826 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.534 ' HA ' ' CD2' ' B' ' 40' ' ' LEU . 0.6 OUTLIER -74.25 -55.15 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.338 -0.852 . . . . 0.0 109.304 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.475 ' HA ' ' HB2' ' B' ' 41' ' ' SER . 53.6 t-20 -69.98 -1.48 9.84 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.293 -0.88 . . . . 0.0 110.246 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.538 ' CB ' ' O ' ' B' ' 34' ' ' GLU . 9.9 t30 -87.84 -37.86 16.18 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.103 -0.998 . . . . 0.0 109.392 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.508 ' HG2' ' N ' ' A' ' 4' ' ' GLU . 6.9 tp10 -130.59 -37.77 1.36 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.396 -0.815 . . . . 0.0 109.317 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.534 ' CD2' ' HA ' ' B' ' 36' ' ' ILE . 0.0 OUTLIER -71.4 -2.93 18.2 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.36 -0.838 . . . . 0.0 109.869 -179.408 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.475 ' HB2' ' HA ' ' B' ' 37' ' ' ASN . 32.3 t -80.29 -13.53 59.12 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.155 -0.965 . . . . 0.0 109.337 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -62.04 -25.39 67.64 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.278 -0.889 . . . . 0.0 109.601 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -113.35 58.05 0.67 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.299 -0.875 . . . . 0.0 109.528 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.07 63.54 1.23 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.172 -0.955 . . . . 0.0 109.529 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -124.88 -35.48 2.68 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.362 -0.836 . . . . 0.0 109.261 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . 0.43 ' O ' ' O ' ' B' ' 47' ' ' ILE . 3.5 mm-40 -122.53 -40.87 2.42 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.413 -0.805 . . . . 0.0 109.338 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.446 HG22 HD11 ' B' ' 47' ' ' ILE . 23.7 mt 61.63 121.71 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.297 -0.877 . . . . 0.0 109.627 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -96.93 -56.23 2.63 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.208 -0.933 . . . . 0.0 109.507 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.463 ' HB3' ' CG2' ' B' ' 52' ' ' VAL . 1.1 mm-40 -87.84 80.54 7.81 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.184 -0.947 . . . . 0.0 109.434 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . 0.508 ' O ' ' CB ' ' B' ' 54' ' ' ASP . 15.7 tm0? -59.05 -22.7 61.14 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.236 -0.915 . . . . 0.0 109.643 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -79.6 -38.0 34.93 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.187 -0.945 . . . . 0.0 109.436 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . 0.463 ' CG2' ' HB3' ' B' ' 49' ' ' GLU . 95.1 t -64.37 -57.82 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.36 -0.838 . . . . 0.0 109.501 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.419 HG21 ' HB2' ' B' ' 83' ' ' ALA . 92.5 t -65.36 -29.58 47.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.277 -0.89 . . . . 0.0 109.473 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . 0.508 ' CB ' ' O ' ' B' ' 50' ' ' GLN . 50.2 t0 -74.1 -22.97 59.27 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.198 -0.939 . . . . 0.0 108.994 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.25 -52.74 7.37 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.295 -0.878 . . . . 0.0 109.633 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.407 ' CG2' ' N ' ' B' ' 57' ' ' MET . 30.9 m -65.08 -48.35 84.23 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.333 0 O-C-N 121.132 -0.98 . . . . 0.0 109.211 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.407 ' N ' ' CG2' ' B' ' 56' ' ' VAL . 55.1 tpp -62.25 -22.72 66.2 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.288 -0.882 . . . . 0.0 108.82 179.353 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' B' ' 54' ' ' ASP . 3.5 mt-10 -72.39 -55.49 6.99 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.409 -0.807 . . . . 0.0 109.651 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.57 -29.41 70.0 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.95 -1.094 . . . . 0.0 108.165 179.475 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.466 HD21 ' HB2' ' B' ' 33' ' ' LYS . 9.8 mt -63.51 -53.65 48.61 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 121.564 0.697 . . . . 0.0 109.202 179.479 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.82 -5.79 56.09 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.589 -0.694 . . . . 0.0 109.408 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -72.11 -28.69 63.45 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.211 -0.931 . . . . 0.0 109.405 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -145.0 -58.76 0.35 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.303 -0.873 . . . . 0.0 109.702 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . 0.437 ' C ' ' HB2' ' B' ' 29' ' ' LYS . . . 79.91 -6.85 57.9 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.588 -1.405 . . . . 0.0 109.588 -179.742 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -130.42 23.51 5.14 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.25 -1.147 . . . . 0.0 109.458 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.96 178.9 43.88 Favored Glycine 0 N--CA 1.489 2.194 0 N-CA-C 109.641 -1.383 . . . . 0.0 109.641 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -106.68 140.47 39.49 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.235 -1.156 . . . . 0.0 109.501 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 1.3 m -115.84 157.7 24.03 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.238 -0.914 . . . . 0.0 109.557 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -101.37 -163.09 0.99 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.272 -0.893 . . . . 0.0 109.262 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.582 ' CD2' ' HG3' ' B' ' 71' ' ' GLN . 1.3 p90 -88.03 -47.52 8.46 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.189 -0.944 . . . . 0.0 109.362 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . 0.582 ' HG3' ' CD2' ' B' ' 70' ' ' PHE . 7.4 mt-30 -70.95 -16.39 62.65 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.155 -0.966 . . . . 0.0 109.058 179.553 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.56 -59.47 2.68 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.298 -0.877 . . . . 0.0 109.029 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.577 ' O ' ' CD1' ' B' ' 73' ' ' PHE . 1.7 t80 -63.24 -19.58 64.68 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.23 -0.919 . . . . 0.0 108.539 179.278 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 74' ' ' MET . . . . . 0.46 ' HB2' ' O ' ' B' ' 70' ' ' PHE . 7.7 mmm -79.93 -52.44 7.85 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.241 -0.912 . . . . 0.0 109.062 179.701 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.479 ' O ' ' HG3' ' B' ' 79' ' ' MET . . . -68.46 -16.18 63.81 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.384 -0.823 . . . . 0.0 108.85 179.569 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.467 ' O ' HG23 ' B' ' 80' ' ' VAL . 1.7 m-85 -78.17 -37.73 45.12 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.425 -0.797 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.565 HG22 ' CE1' ' B' ' 73' ' ' PHE . 78.5 t -75.35 -30.28 22.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.373 -0.829 . . . . 0.0 109.784 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.406 ' HB3' ' HE1' ' A' ' 74' ' ' MET . 38.7 m -77.12 -38.37 52.29 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.112 -0.992 . . . . 0.0 110.162 -179.433 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 79' ' ' MET . . . . . 0.479 ' HG3' ' O ' ' B' ' 75' ' ' ALA . 1.2 mmm -60.64 -50.45 73.45 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.116 -0.99 . . . . 0.0 110.339 -179.377 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . 0.525 HG22 ' CD2' ' B' ' 40' ' ' LEU . 1.7 m -68.15 -36.19 74.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.016 -1.053 . . . . 0.0 110.566 -178.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.522 HG23 ' CD1' ' A' ' 11' ' ' ILE . 10.5 m -67.87 -7.7 30.29 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.955 -1.091 . . . . 0.0 110.227 -179.331 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.472 ' HB ' ' HG2' ' A' ' 71' ' ' GLN . 26.6 p -120.74 -10.6 9.14 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.083 -1.011 . . . . 0.0 109.566 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . 0.419 ' HB2' HG21 ' B' ' 53' ' ' VAL . . . . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.155 -0.966 . . . . 0.0 109.292 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 6.1 ptm . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.468 ' HB2' ' HG3' ' B' ' 39' ' ' GLU . 17.2 p -130.14 177.49 7.27 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.335 -0.853 . . . . 0.0 109.436 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.483 ' HB3' HG21 ' B' ' 13' ' ' VAL . 11.7 mm-40 -80.75 -58.36 3.14 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.232 -0.917 . . . . 0.0 110.531 -179.497 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.534 ' O ' ' CB ' ' A' ' 7' ' ' MET . 1.7 tp -60.31 -30.9 69.79 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.156 -0.965 . . . . 0.0 110.706 -178.662 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.52 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 17.1 tt0 -73.01 -65.63 0.77 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.999 -1.063 . . . . 0.0 110.633 -178.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.81 -36.79 65.33 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.782 -1.199 . . . . 0.0 109.945 -179.252 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -81.06 -69.75 0.58 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.318 -0.864 . . . . 0.0 110.672 -179.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.534 ' CB ' ' O ' ' A' ' 3' ' ' LEU . 11.8 tpt -48.94 -54.03 17.2 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.24 -0.913 . . . . 0.0 109.659 -179.323 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.52 ' CG2' ' O ' ' A' ' 4' ' ' GLU . 15.6 t -56.2 -33.99 38.41 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.624 0 O-C-N 121.427 -0.796 . . . . 0.0 109.79 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.55 -35.6 76.41 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.093 -1.004 . . . . 0.0 108.959 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.524 HD11 ' CE ' ' A' ' 74' ' ' MET . 0.4 OUTLIER -58.83 -50.14 75.09 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.142 -0.974 . . . . 0.0 108.775 179.503 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.422 HD12 HG21 ' B' ' 81' ' ' THR . 20.6 mt -50.46 -27.22 4.29 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.279 -0.888 . . . . 0.0 108.611 179.28 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -72.12 -45.51 60.3 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.627 -0.671 . . . . 0.0 109.635 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.478 HG21 ' HB3' ' B' ' 2' ' ' GLU . 24.3 t -50.0 -46.06 23.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.388 -0.82 . . . . 0.0 109.669 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.565 ' HB3' ' CZ ' ' B' ' 88' ' ' PHE . 0.1 OUTLIER -61.18 -41.27 96.5 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.021 -1.049 . . . . 0.0 109.551 -179.688 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -69.72 -18.82 63.56 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.237 -0.914 . . . . 0.0 109.253 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 17' ' ' TYR . 28.1 tt0 -95.17 -77.94 0.46 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.327 -0.858 . . . . 0.0 109.585 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.428 ' C ' ' O ' ' A' ' 16' ' ' GLN . 5.0 m-85 -43.03 -51.89 5.51 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.346 -0.846 . . . . 0.0 109.746 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.48 -30.83 67.73 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.173 -0.954 . . . . 0.0 109.559 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.439 ' HA2' ' HG3' ' A' ' 24' ' ' LYS . . . -70.61 -3.85 50.44 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.706 -1.358 . . . . 0.0 109.706 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.2 mtt180 -61.58 -67.41 0.41 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.144 -1.209 . . . . 0.0 109.726 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -80.04 -170.22 2.37 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.355 -0.841 . . . . 0.0 109.991 -179.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 23' ' ' ASP . . . -57.79 -58.01 16.83 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.887 -1.285 . . . . 0.0 109.887 -179.68 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.417 ' HB2' ' HG2' ' A' ' 26' ' ' LYS . 4.7 p-10 -43.74 147.29 0.46 Allowed 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.32 -1.106 . . . . 0.0 109.833 -179.643 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.508 ' C ' ' CG ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -140.23 20.94 2.42 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.283 -0.885 . . . . 0.0 109.101 179.652 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.508 ' CG ' ' C ' ' A' ' 24' ' ' LYS . 11.8 m-70 -153.95 17.78 0.51 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.283 -0.885 . . . . 0.0 109.738 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.417 ' HG2' ' HB2' ' A' ' 23' ' ' ASP . 0.0 OUTLIER -150.4 130.59 13.6 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.096 -1.002 . . . . 0.0 109.49 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.6 tp -98.9 -166.55 1.37 Allowed 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.281 -0.887 . . . . 0.0 109.326 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 67' ' ' GLU . 2.7 ttmt -130.88 134.01 46.4 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.29 -0.881 . . . . 0.0 108.88 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.592 ' HD2' ' N ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -40.99 -29.99 0.12 Allowed 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.292 -0.88 . . . . 0.0 110.638 -179.152 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.592 ' N ' ' HD2' ' A' ' 29' ' ' LYS . 7.1 t -80.09 -40.87 26.69 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.849 -1.157 . . . . 0.0 110.09 -179.498 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.526 ' O ' ' HB2' ' A' ' 35' ' ' LEU . 1.1 tp10 -72.76 -16.74 61.64 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 120.938 -1.101 . . . . 0.0 108.722 179.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.458 ' O ' HG13 ' A' ' 36' ' ' ILE . 23.0 tp -81.54 -55.13 4.87 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 178.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.3 tttt -55.34 -36.35 66.17 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 178.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.532 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 0.1 OUTLIER -73.9 -35.81 64.69 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 179.305 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.526 ' HB2' ' O ' ' A' ' 31' ' ' GLU . 0.1 OUTLIER -57.43 -38.96 75.24 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.579 -0.701 . . . . 0.0 109.481 179.648 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.529 ' CG2' HG22 ' A' ' 80' ' ' VAL . 0.7 OUTLIER -80.99 -52.88 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.429 -0.795 . . . . 0.0 110.653 -179.306 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.443 ' O ' ' OD1' ' A' ' 37' ' ' ASN . 20.8 t-20 -74.96 -1.72 23.86 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.241 -0.912 . . . . 0.0 111.038 -178.493 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.532 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 11.2 t30 -111.05 -63.77 1.36 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.833 -1.167 . . . . 0.0 109.722 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.538 ' HB3' ' CB ' ' B' ' 3' ' ' LEU . 1.0 OUTLIER -63.93 -57.24 10.37 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.224 -0.922 . . . . 0.0 109.646 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.479 HD22 ' HA ' ' B' ' 4' ' ' GLU . 9.3 mt -73.68 -101.49 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.152 -0.968 . . . . 0.0 109.234 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 40' ' ' LEU . 9.6 t 39.43 88.77 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.32 -0.863 . . . . 0.0 110.027 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -167.11 -59.56 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.122 -0.986 . . . . 0.0 109.779 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -88.25 23.81 2.05 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.222 -0.924 . . . . 0.0 109.747 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -87.45 125.08 34.07 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.168 -0.957 . . . . 0.0 108.857 179.497 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -130.34 -78.05 0.54 Allowed 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.228 -0.92 . . . . 0.0 109.746 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -106.95 -22.65 12.61 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.242 -0.911 . . . . 0.0 109.989 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.521 ' CG2' HG22 ' A' ' 53' ' ' VAL . 15.4 mt 61.03 88.78 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.091 -1.006 . . . . 0.0 109.158 -179.677 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.409 ' HD3' ' CG ' ' A' ' 85' ' ' HIS . 24.5 tttt -71.64 -33.36 68.85 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.187 -0.946 . . . . 0.0 109.945 -179.539 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.497 ' HB3' ' CG2' ' A' ' 52' ' ' VAL . 10.4 mm-40 -85.88 60.69 6.39 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.907 -1.121 . . . . 0.0 109.457 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.544 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 37.6 tt0 -54.11 -21.58 8.93 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.29 -0.881 . . . . 0.0 109.085 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -80.12 -36.04 35.89 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.322 -0.861 . . . . 0.0 109.59 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.497 ' CG2' ' HB3' ' A' ' 49' ' ' GLU . 63.2 t -68.76 -51.16 48.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.197 -0.939 . . . . 0.0 109.38 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.548 ' O ' ' CB ' ' A' ' 57' ' ' MET . 39.0 t -72.85 -30.5 32.96 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.292 -0.88 . . . . 0.0 109.649 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.544 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 32.9 t0 -79.78 -18.65 50.49 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.955 -1.091 . . . . 0.0 108.842 179.42 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.86 -49.15 11.41 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.346 -0.846 . . . . 0.0 109.299 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.553 HG13 ' CE2' ' A' ' 76' ' ' PHE . 2.1 m -76.71 -35.48 25.12 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 O-C-N 121.194 -0.941 . . . . 0.0 108.662 179.517 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.548 ' CB ' ' O ' ' A' ' 53' ' ' VAL . 4.1 ttm -71.12 -24.85 62.37 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 179.133 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 54' ' ' ASP . 22.6 mt-10 -73.48 -55.17 6.69 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 179.317 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.474 ' O ' ' OD2' ' A' ' 63' ' ' ASP . 8.8 m -60.89 -26.98 67.81 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.135 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.5 mt -66.08 -54.13 29.5 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.2 -3.99 51.3 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.618 -0.676 . . . . 0.0 109.795 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -79.91 -42.71 23.57 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.134 -0.979 . . . . 0.0 110.073 -179.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.474 ' OD2' ' O ' ' A' ' 59' ' ' THR . 0.0 OUTLIER -94.58 -60.34 1.73 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.201 -0.937 . . . . 0.0 109.56 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.497 ' HA2' ' HD3' ' A' ' 29' ' ' LYS . . . 44.3 25.9 0.85 Allowed Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.25 -1.54 . . . . 0.0 109.25 -179.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 63' ' ' ASP . 22.7 t0 -143.83 -7.54 0.74 Allowed 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.309 -1.113 . . . . 0.0 110.846 -179.154 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.469 ' O ' ' HG3' ' A' ' 29' ' ' LYS . . . -115.14 -164.06 14.27 Favored Glycine 0 N--CA 1.488 2.136 0 O-C-N 120.672 -1.267 . . . . 0.0 110.238 -179.217 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.469 ' HA ' ' HA ' ' A' ' 28' ' ' LYS . 1.6 mp0 -121.46 155.28 35.24 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.407 -1.055 . . . . 0.0 109.495 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 15.1 m -99.97 165.3 11.61 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.223 -0.923 . . . . 0.0 109.598 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -102.02 -163.6 1.02 Allowed 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.205 -0.935 . . . . 0.0 109.39 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.629 ' CZ ' ' CG ' ' A' ' 71' ' ' GLN . 10.4 p90 -92.54 -33.53 14.42 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.262 -0.899 . . . . 0.0 109.229 179.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.629 ' CG ' ' CZ ' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -80.26 -23.62 40.66 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 178.66 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -78.09 -54.28 6.44 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -64.54 -19.31 65.55 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.292 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.524 ' CE ' HD11 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -78.27 -52.32 8.83 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.407 -0.808 . . . . 0.0 109.418 179.89 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.481 ' O ' ' HG3' ' A' ' 79' ' ' MET . . . -70.53 -17.54 62.94 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.266 -0.896 . . . . 0.0 108.929 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.553 ' CE2' HG13 ' A' ' 56' ' ' VAL . 1.5 m-85 -80.14 -39.27 29.79 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.444 -0.785 . . . . 0.0 109.541 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.467 ' O ' ' OG1' ' A' ' 81' ' ' THR . 59.8 t -71.51 -26.91 27.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 O-C-N 121.226 -0.921 . . . . 0.0 110.325 -179.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.518 ' HA ' ' CE ' ' B' ' 7' ' ' MET . 3.7 m -77.8 -44.39 27.62 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.09 -1.006 . . . . 0.0 110.409 -179.294 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.481 ' HG3' ' O ' ' A' ' 75' ' ' ALA . 1.9 mmm -57.58 -44.8 85.6 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.085 -1.01 . . . . 0.0 110.468 -179.221 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.529 HG22 ' CG2' ' A' ' 36' ' ' ILE . 2.6 m -69.98 -40.67 78.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.133 -0.98 . . . . 0.0 110.681 -178.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.467 ' OG1' ' O ' ' A' ' 77' ' ' VAL . 2.0 m -67.07 -8.63 31.94 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.731 -1.231 . . . . 0.0 109.304 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.557 ' HB ' ' CE2' ' B' ' 70' ' ' PHE . 10.4 p -117.2 -0.4 12.08 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.297 -0.877 . . . . 0.0 109.709 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.43 ' HB3' HG21 ' A' ' 53' ' ' VAL . . . -61.06 -64.06 1.08 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.158 -0.964 . . . . 0.0 109.608 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -50.63 132.08 25.64 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.188 -0.945 . . . . 0.0 109.502 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.409 ' CG ' ' HD3' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -67.55 -47.17 70.62 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.115 -0.991 . . . . 0.0 109.46 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.498 ' O ' ' CG ' ' A' ' 86' ' ' GLU . 1.5 pt-20 -75.4 100.87 4.58 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.302 -0.874 . . . . 0.0 109.334 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.453 ' CE2' ' CE2' ' B' ' 70' ' ' PHE . 0.1 OUTLIER -121.46 -11.59 8.7 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.169 -0.957 . . . . 0.0 109.45 179.781 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.526 ' CZ ' ' HB3' ' B' ' 14' ' ' PHE . 11.8 m-85 -118.44 5.99 11.78 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.149 -0.969 . . . . 0.0 109.47 179.643 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -122.0 99.67 6.56 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.189 -0.945 . . . . 0.0 109.85 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.43 ' O ' ' ND1' ' A' ' 90' ' ' HIS . 0.0 OUTLIER -119.33 71.49 0.87 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.29 -0.881 . . . . 0.0 109.728 179.758 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.612 0 O-C-N 121.069 -1.019 . . . . 0.0 109.46 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 6.1 ptm . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.461 ' HB2' ' HG3' ' A' ' 39' ' ' GLU . 17.0 p -130.12 177.52 7.24 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.215 -0.928 . . . . 0.0 109.528 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.478 ' HB3' HG21 ' A' ' 13' ' ' VAL . 11.7 mm-40 -80.74 -58.4 3.12 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.271 -0.893 . . . . 0.0 110.617 -179.478 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.538 ' CB ' ' HB3' ' A' ' 39' ' ' GLU . 1.6 tp -60.25 -30.99 69.78 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.217 -0.927 . . . . 0.0 110.686 -178.749 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.531 ' O ' ' CG2' ' B' ' 8' ' ' VAL . 17.1 tt0 -72.88 -65.81 0.75 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.911 -1.118 . . . . 0.0 110.643 -178.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.85 -36.7 65.34 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.82 -1.175 . . . . 0.0 109.852 -179.198 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -81.07 -69.9 0.57 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.268 -0.895 . . . . 0.0 110.647 -179.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' MET . . . . . 0.538 ' CB ' ' O ' ' B' ' 3' ' ' LEU . 11.9 tpt -48.81 -54.17 16.24 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.28 -0.888 . . . . 0.0 109.557 -179.312 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . 0.531 ' CG2' ' O ' ' B' ' 4' ' ' GLU . 15.6 t -56.12 -33.93 37.76 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 O-C-N 121.497 -0.752 . . . . 0.0 109.828 -179.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.68 -35.64 76.77 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.069 -1.02 . . . . 0.0 108.941 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.525 HD11 ' CE ' ' B' ' 74' ' ' MET . 0.4 OUTLIER -58.72 -50.2 74.77 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.226 -0.921 . . . . 0.0 108.761 179.48 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.408 ' O ' HG21 ' B' ' 11' ' ' ILE . 20.7 mt -50.44 -27.26 4.29 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 179.283 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -72.08 -45.44 60.67 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.58 -0.7 . . . . 0.0 109.685 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . 0.483 HG21 ' HB3' ' A' ' 2' ' ' GLU . 24.4 t -50.02 -46.08 23.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.4 -0.812 . . . . 0.0 109.655 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.526 ' HB3' ' CZ ' ' A' ' 88' ' ' PHE . 0.1 OUTLIER -61.17 -41.23 96.41 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.047 -1.033 . . . . 0.0 109.549 -179.696 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -69.72 -18.87 63.55 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.213 -0.93 . . . . 0.0 109.254 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' B' ' 17' ' ' TYR . 28.0 tt0 -95.27 -77.71 0.47 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.363 -0.836 . . . . 0.0 109.609 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.411 ' O ' ' HG3' ' B' ' 20' ' ' ARG . 4.9 m-85 -43.17 -51.93 5.78 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.259 -0.901 . . . . 0.0 109.717 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.3 -30.99 68.12 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.223 -0.923 . . . . 0.0 109.596 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . 0.445 ' HA2' ' HG3' ' B' ' 24' ' ' LYS . . . -70.6 -3.91 50.58 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.707 -1.357 . . . . 0.0 109.707 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.411 ' HG3' ' O ' ' B' ' 17' ' ' TYR . 14.2 mtt180 -61.52 -67.51 0.4 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.254 -1.145 . . . . 0.0 109.728 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -79.94 -170.2 2.34 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.38 -0.825 . . . . 0.0 109.938 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' B' ' 23' ' ' ASP . . . -57.81 -57.84 17.7 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.93 -1.268 . . . . 0.0 109.93 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.404 ' HB2' ' HG2' ' B' ' 26' ' ' LYS . 4.7 p-10 -43.67 147.21 0.46 Allowed 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.337 -1.096 . . . . 0.0 109.893 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.513 ' C ' ' CG ' ' B' ' 25' ' ' HIS . 0.0 OUTLIER -140.09 20.79 2.45 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.352 -0.843 . . . . 0.0 109.183 179.628 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . 0.513 ' CG ' ' C ' ' B' ' 24' ' ' LYS . 11.5 m-70 -153.93 17.68 0.51 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.206 -0.934 . . . . 0.0 109.834 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.404 ' HG2' ' HB2' ' B' ' 23' ' ' ASP . 0.0 OUTLIER -150.39 130.74 13.73 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.176 -0.953 . . . . 0.0 109.5 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 3.6 tp -98.98 -166.54 1.37 Allowed 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.351 -0.843 . . . . 0.0 109.294 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.473 ' HG2' ' HE2' ' B' ' 29' ' ' LYS . 2.7 ttmt -130.85 134.02 46.44 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.377 -0.827 . . . . 0.0 108.973 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.584 ' HD2' ' N ' ' B' ' 30' ' ' SER . 0.0 OUTLIER -41.0 -30.01 0.12 Allowed 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.233 -0.917 . . . . 0.0 110.542 -179.131 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.584 ' N ' ' HD2' ' B' ' 29' ' ' LYS . 7.1 t -80.17 -40.91 26.34 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.916 -1.115 . . . . 0.0 110.047 -179.469 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.519 ' O ' ' HB2' ' B' ' 35' ' ' LEU . 1.1 tp10 -72.68 -16.86 61.68 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.059 -1.026 . . . . 0.0 108.642 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.452 ' O ' HG13 ' B' ' 36' ' ' ILE . 23.1 tp -81.46 -55.2 4.84 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 178.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.406 ' HE3' ' HE1' ' B' ' 57' ' ' MET . 23.2 tttt -55.38 -36.31 66.25 Favored 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 178.464 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.53 ' O ' ' CB ' ' B' ' 38' ' ' ASN . 0.1 OUTLIER -73.9 -35.98 64.72 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 179.337 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.519 ' HB2' ' O ' ' B' ' 31' ' ' GLU . 0.1 OUTLIER -57.44 -38.96 75.26 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.51 -0.744 . . . . 0.0 109.381 179.702 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.526 ' CG2' HG22 ' B' ' 80' ' ' VAL . 0.7 OUTLIER -81.04 -52.78 13.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.393 -0.817 . . . . 0.0 110.698 -179.331 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.441 ' O ' ' OD1' ' B' ' 37' ' ' ASN . 20.8 t-20 -75.12 -1.56 23.64 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.213 -0.93 . . . . 0.0 110.944 -178.471 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.53 ' CB ' ' O ' ' B' ' 34' ' ' GLU . 11.3 t30 -111.17 -63.75 1.37 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.791 -1.193 . . . . 0.0 109.723 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.524 ' HB3' ' CB ' ' A' ' 3' ' ' LEU . 1.0 OUTLIER -64.04 -57.19 10.41 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.123 -0.986 . . . . 0.0 109.501 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.466 HD22 ' HA ' ' A' ' 4' ' ' GLU . 9.3 mt -73.75 -101.51 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.115 -0.991 . . . . 0.0 109.226 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.447 ' C ' ' O ' ' B' ' 40' ' ' LEU . 9.6 t 39.36 88.79 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.272 -0.892 . . . . 0.0 110.075 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -167.07 -59.66 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.244 -0.91 . . . . 0.0 109.734 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 36.1 p90 -88.1 23.77 2.01 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.138 -0.976 . . . . 0.0 109.823 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -87.49 125.15 34.14 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.178 -0.952 . . . . 0.0 108.956 179.512 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -130.41 -78.12 0.54 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.291 -0.881 . . . . 0.0 109.769 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -106.93 -22.69 12.6 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.371 -0.83 . . . . 0.0 109.978 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.524 ' CG2' HG22 ' B' ' 53' ' ' VAL . 15.6 mt 61.11 88.8 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.105 -0.997 . . . . 0.0 109.131 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.407 ' HD3' ' CG ' ' B' ' 85' ' ' HIS . 24.7 tttt -71.74 -33.21 68.5 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.108 -0.995 . . . . 0.0 109.965 -179.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.496 ' HB3' ' CG2' ' B' ' 52' ' ' VAL . 10.3 mm-40 -86.03 60.81 6.46 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.113 -0.992 . . . . 0.0 109.361 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . 0.555 ' O ' ' CB ' ' B' ' 54' ' ' ASP . 37.6 tt0 -54.1 -21.7 9.17 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.276 -0.89 . . . . 0.0 109.101 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -80.03 -35.97 36.47 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.286 -0.884 . . . . 0.0 109.657 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.496 ' CG2' ' HB3' ' B' ' 49' ' ' GLU . 63.2 t -68.77 -51.21 47.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.253 -0.905 . . . . 0.0 109.417 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.541 ' O ' ' CB ' ' B' ' 57' ' ' MET . 38.8 t -72.87 -30.49 32.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.222 -0.924 . . . . 0.0 109.594 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . 0.555 ' CB ' ' O ' ' B' ' 50' ' ' GLN . 32.9 t0 -79.81 -18.61 50.51 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.974 -1.079 . . . . 0.0 108.743 179.437 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.94 -49.16 11.33 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.324 -0.86 . . . . 0.0 109.319 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.559 HG13 ' CE2' ' B' ' 76' ' ' PHE . 2.2 m -76.69 -35.49 25.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.132 -0.98 . . . . 0.0 108.678 179.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.541 ' CB ' ' O ' ' B' ' 53' ' ' VAL . 4.1 ttm -71.3 -24.75 62.2 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.158 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . 0.496 ' CG ' ' O ' ' B' ' 54' ' ' ASP . 22.4 mt-10 -73.48 -55.16 6.7 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.302 -0.874 . . . . 0.0 108.707 179.25 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' THR . . . . . 0.481 ' O ' ' OD2' ' B' ' 63' ' ' ASP . 8.5 m -60.8 -27.02 67.7 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.025 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 10.5 mt -66.12 -54.02 30.67 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.521 -0.737 . . . . 0.0 109.126 179.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.29 -3.96 51.44 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.636 -0.665 . . . . 0.0 109.725 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 72.1 tt0 -80.0 -42.63 23.47 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.125 -0.985 . . . . 0.0 109.98 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.481 ' OD2' ' O ' ' B' ' 59' ' ' THR . 0.0 OUTLIER -94.53 -60.44 1.71 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.248 -0.907 . . . . 0.0 109.691 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . 0.5 ' HA2' ' HD3' ' B' ' 29' ' ' LYS . . . 44.37 25.99 0.89 Allowed Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.273 -1.531 . . . . 0.0 109.273 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' B' ' 63' ' ' ASP . 22.6 t0 -143.9 -7.53 0.74 Allowed 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.306 -1.114 . . . . 0.0 110.876 -179.112 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.464 ' O ' ' HG3' ' B' ' 29' ' ' LYS . . . -115.19 -164.14 14.27 Favored Glycine 0 N--CA 1.488 2.119 0 C-N-CA 119.697 -1.24 . . . . 0.0 110.307 -179.187 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.465 ' HA ' ' HA ' ' B' ' 28' ' ' LYS . 1.6 mp0 -121.34 155.24 35.17 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.38 -1.071 . . . . 0.0 109.494 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 14.8 m -100.03 165.31 11.59 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.157 -0.964 . . . . 0.0 109.568 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -102.01 -163.59 1.02 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.257 -0.902 . . . . 0.0 109.456 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.621 ' CZ ' ' CG ' ' B' ' 71' ' ' GLN . 10.3 p90 -92.5 -33.56 14.43 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.226 -0.921 . . . . 0.0 109.205 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . 0.621 ' CG ' ' CZ ' ' B' ' 70' ' ' PHE . 0.1 OUTLIER -80.32 -23.57 40.52 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 178.672 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -78.2 -54.19 6.51 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -64.62 -19.35 65.64 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 179.312 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' MET . . . . . 0.525 ' CE ' HD11 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -78.22 -52.25 8.96 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.412 -0.805 . . . . 0.0 109.478 179.861 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.478 ' O ' ' HG3' ' B' ' 79' ' ' MET . . . -70.7 -17.3 62.83 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.19 -0.944 . . . . 0.0 108.927 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.559 ' CE2' HG13 ' B' ' 56' ' ' VAL . 1.5 m-85 -80.3 -39.2 29.24 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.447 -0.783 . . . . 0.0 109.586 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.462 ' O ' ' OG1' ' B' ' 81' ' ' THR . 59.9 t -71.47 -26.96 27.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.294 -0.879 . . . . 0.0 110.256 -179.581 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.504 ' HA ' ' CE ' ' A' ' 7' ' ' MET . 3.7 m -77.85 -44.38 27.46 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.053 -1.03 . . . . 0.0 110.453 -179.263 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' MET . . . . . 0.478 ' HG3' ' O ' ' B' ' 75' ' ' ALA . 1.9 mmm -57.51 -44.82 85.34 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.069 -1.02 . . . . 0.0 110.488 -179.276 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . 0.526 HG22 ' CG2' ' B' ' 36' ' ' ILE . 2.6 m -70.04 -40.65 78.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.18 -0.95 . . . . 0.0 110.687 -178.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.462 ' OG1' ' O ' ' B' ' 77' ' ' VAL . 2.0 m -67.09 -8.6 31.86 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.825 -1.172 . . . . 0.0 109.266 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.567 ' HB ' ' CE2' ' A' ' 70' ' ' PHE . 10.3 p -117.18 -0.44 12.08 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.173 -0.955 . . . . 0.0 109.655 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . 0.431 ' HB3' HG21 ' B' ' 53' ' ' VAL . . . -61.01 -64.04 1.09 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.122 -0.986 . . . . 0.0 109.716 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -50.58 132.1 25.45 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.327 -0.858 . . . . 0.0 109.492 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.407 ' CG ' ' HD3' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -67.49 -47.21 70.71 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.273 -0.892 . . . . 0.0 109.43 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . 0.494 ' O ' ' CG ' ' B' ' 86' ' ' GLU . 1.5 pt-20 -75.3 100.72 4.47 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.298 -0.876 . . . . 0.0 109.475 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . 0.464 ' CE2' ' CE2' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -121.37 -11.56 8.74 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.202 -0.936 . . . . 0.0 109.508 179.88 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 14' ' ' PHE . 11.9 m-85 -118.51 5.91 11.72 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.243 -0.911 . . . . 0.0 109.374 179.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -121.92 99.51 6.48 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.124 -0.985 . . . . 0.0 109.85 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . 0.432 ' O ' ' ND1' ' B' ' 90' ' ' HIS . 0.0 OUTLIER -119.16 71.44 0.86 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.214 -0.929 . . . . 0.0 109.789 179.703 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 117.944 -1.027 . . . . 0.0 109.417 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.52 ' CB ' ' OE1' ' B' ' 39' ' ' GLU . 0.9 OUTLIER -139.15 173.57 11.42 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.351 -0.843 . . . . 0.0 109.504 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.541 ' HB3' ' CG2' ' B' ' 13' ' ' VAL . 4.0 tp10 -78.45 -61.01 2.14 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.257 -0.902 . . . . 0.0 109.765 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.53 ' CD2' ' HB2' ' B' ' 39' ' ' GLU . 4.0 tp -62.59 -53.83 48.71 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.358 -0.839 . . . . 0.0 110.181 -179.626 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.532 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 2.6 tm-20 -48.22 -35.97 12.92 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.127 -0.983 . . . . 0.0 110.253 -178.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.447 ' HB2' ' O ' ' A' ' 1' ' ' SER . 0.0 OUTLIER -80.15 -33.36 38.55 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.965 -1.084 . . . . 0.0 109.813 -179.661 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.462 ' HB1' ' HB2' ' B' ' 9' ' ' ALA . . . -80.8 -67.78 0.74 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.23 -0.919 . . . . 0.0 110.001 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.521 ' CE ' HG13 ' B' ' 77' ' ' VAL . 7.0 tpp -46.18 -51.49 14.06 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.413 -0.804 . . . . 0.0 109.864 -179.557 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.532 ' CG2' ' O ' ' A' ' 4' ' ' GLU . 21.5 t -64.04 -31.8 54.74 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.561 0 O-C-N 121.343 -0.848 . . . . 0.0 109.746 -179.254 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.464 ' HB2' ' HB1' ' B' ' 6' ' ' ALA . . . -65.29 -34.56 78.62 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.233 -0.917 . . . . 0.0 109.448 179.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.51 ' CD2' HD13 ' B' ' 3' ' ' LEU . 0.6 OUTLIER -63.13 -62.58 1.61 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.368 -0.833 . . . . 0.0 109.173 179.81 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.484 ' CG2' ' CE1' ' B' ' 88' ' ' PHE . 52.8 mt -46.04 -28.61 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 O-C-N 121.333 -0.854 . . . . 0.0 108.752 179.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 13' ' ' VAL . 15.4 t0 -62.6 -51.85 65.68 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.507 -0.746 . . . . 0.0 109.04 179.455 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.528 ' CG2' ' HB3' ' B' ' 2' ' ' GLU . 36.4 t -45.53 -34.26 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.275 -0.891 . . . . 0.0 109.078 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.619 ' CD1' ' CE1' ' A' ' 73' ' ' PHE . 15.3 t80 -62.31 -49.74 74.42 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.297 -0.877 . . . . 0.0 109.096 179.695 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.521 ' O ' ' CG ' ' A' ' 15' ' ' HIS . 4.0 t-80 -75.77 -4.95 43.41 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.259 -0.9 . . . . 0.0 109.038 179.624 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.474 ' HB2' ' HA ' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -74.15 -37.53 64.0 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.21 -0.931 . . . . 0.0 109.662 -179.709 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.529 ' OH ' ' CD2' ' A' ' 35' ' ' LEU . 8.7 p90 -159.61 33.02 0.19 Allowed 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.203 -0.936 . . . . 0.0 109.287 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.526 ' HA ' ' CD1' ' A' ' 27' ' ' LEU . 0.4 OUTLIER -59.39 -39.09 82.27 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.29 -0.881 . . . . 0.0 109.414 -179.923 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.484 ' O ' ' C ' ' A' ' 20' ' ' ARG . . . 173.29 69.15 0.05 OUTLIER Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.484 ' C ' ' O ' ' A' ' 19' ' ' GLY . 10.8 mtm180 -35.94 -42.59 0.28 Allowed 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.709 -0.877 . . . . 0.0 110.183 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -125.68 -158.1 0.82 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.362 -0.836 . . . . 0.0 109.561 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.39 -128.31 45.91 Favored Glycine 0 N--CA 1.489 2.223 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -70.82 -173.04 0.72 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.187 -1.184 . . . . 0.0 109.363 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.466 ' O ' ' HB2' ' A' ' 25' ' ' HIS . 1.2 tttt -132.4 128.95 38.65 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.263 -0.898 . . . . 0.0 109.736 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.537 ' NE2' ' HB3' ' B' ' 88' ' ' PHE . 25.6 m-70 61.81 27.61 16.87 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.344 -0.847 . . . . 0.0 110.006 179.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.465 ' HG2' ' O ' ' A' ' 24' ' ' LYS . 6.2 mmtt -122.56 125.67 46.18 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.25 -0.906 . . . . 0.0 109.433 179.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.526 ' CD1' ' HA ' ' A' ' 18' ' ' SER . 1.6 tp -96.89 -158.29 0.65 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.225 -0.922 . . . . 0.0 109.507 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -150.47 -173.2 4.39 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.077 -1.015 . . . . 0.0 109.771 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.463 ' HG3' ' CB ' ' A' ' 63' ' ' ASP . 14.5 mmtt -80.78 -29.41 36.15 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.237 -0.914 . . . . 0.0 109.651 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 29.6 p -80.67 -36.39 32.46 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.138 -0.976 . . . . 0.0 109.553 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.476 ' O ' ' HB2' ' A' ' 35' ' ' LEU . 2.5 tt0 -80.49 -24.86 39.15 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.151 -0.968 . . . . 0.0 108.821 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.501 ' CG ' HD23 ' A' ' 60' ' ' LEU . 50.6 tp -80.39 -42.14 23.34 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 179.177 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.454 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -60.63 -35.61 76.6 Favored 'General case' 0 N--CA 1.485 1.301 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.356 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.585 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 0.0 OUTLIER -80.32 -32.46 37.92 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 179.141 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.556 ' N ' ' HG3' ' A' ' 34' ' ' GLU . 0.1 OUTLIER -53.58 -48.42 69.22 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-O 121.727 0.775 . . . . 0.0 108.939 179.341 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.552 ' O ' ' HB2' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -80.42 -54.35 10.86 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 O-C-N 121.595 -0.691 . . . . 0.0 110.582 -179.357 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -70.41 -0.69 8.75 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 120.827 -1.171 . . . . 0.0 112.015 -177.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.585 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 2.0 t30 -102.91 -33.0 9.48 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.525 -1.359 . . . . 0.0 110.553 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.547 ' HB2' ' CD2' ' B' ' 3' ' ' LEU . 3.7 mm-40 -114.52 -26.14 8.05 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.804 -1.185 . . . . 0.0 110.605 -179.044 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.643 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 1.2 mm? -79.41 -52.81 7.59 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 40' ' ' LEU . 26.6 t -39.25 97.23 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.462 0 CA-C-O 121.315 0.579 . . . . 0.0 109.869 179.629 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.456 ' N ' ' O ' ' A' ' 40' ' ' LEU . 8.2 t60 -179.59 -34.04 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.332 -0.855 . . . . 0.0 109.169 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.446 ' O ' ' HB2' ' A' ' 85' ' ' HIS . 0.0 OUTLIER -116.74 25.12 10.78 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.373 -0.829 . . . . 0.0 108.905 179.63 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.1 mp -97.72 115.53 28.16 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.295 -0.878 . . . . 0.0 109.56 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -125.91 -75.18 0.59 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.271 -0.893 . . . . 0.0 109.307 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.402 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 7.5 mt-10 -90.68 -45.58 8.78 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.311 -0.868 . . . . 0.0 109.498 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.402 ' HB ' ' O ' ' A' ' 46' ' ' GLU . 10.2 mm 66.37 82.17 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.264 -0.898 . . . . 0.0 109.45 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.27 -34.04 72.32 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.213 -0.929 . . . . 0.0 109.628 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.512 ' OE1' ' CG2' ' A' ' 52' ' ' VAL . 13.4 mm-40 -85.96 61.74 7.02 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.117 -0.989 . . . . 0.0 109.215 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.48 ' O ' ' HB2' ' A' ' 54' ' ' ASP . 6.8 tt0 -55.89 -24.63 38.53 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.157 -0.964 . . . . 0.0 109.502 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.46 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 1.8 mt-10 -77.02 -32.39 57.05 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.167 -0.958 . . . . 0.0 109.7 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.512 ' CG2' ' OE1' ' A' ' 49' ' ' GLU . 78.4 t -69.49 -49.93 55.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.268 -0.895 . . . . 0.0 109.865 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.436 ' O ' HG11 ' A' ' 53' ' ' VAL . 72.6 t -75.15 -30.52 23.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.264 -0.897 . . . . 0.0 109.438 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.48 ' HB2' ' O ' ' A' ' 50' ' ' GLN . 1.8 m-20 -79.78 -18.18 51.62 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.185 -0.947 . . . . 0.0 108.811 179.306 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.46 ' HB2' ' O ' ' A' ' 51' ' ' GLU . 7.3 tmtt? -78.47 -45.8 21.25 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.381 -0.824 . . . . 0.0 109.12 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.524 ' CG1' ' SD ' ' A' ' 79' ' ' MET . 4.2 m -76.14 -38.74 35.02 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 O-C-N 121.137 -0.977 . . . . 0.0 108.892 179.435 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 47.5 tpp -68.92 -23.75 64.21 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.47 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 10.0 mt-10 -74.12 -56.88 4.4 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.377 -0.827 . . . . 0.0 109.112 179.585 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.5 m -60.32 -26.84 66.86 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.388 -0.968 . . . . 0.0 108.388 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.501 HD23 ' CG ' ' A' ' 32' ' ' LEU . 10.6 mt -67.38 -53.74 26.61 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-O 121.534 0.683 . . . . 0.0 109.438 179.606 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.83 -5.57 51.31 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.37 -0.831 . . . . 0.0 109.81 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -73.5 -57.59 3.9 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.191 -0.943 . . . . 0.0 109.692 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.463 ' CB ' ' HG3' ' A' ' 29' ' ' LYS . 0.8 OUTLIER -79.37 -64.16 1.25 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.347 -0.846 . . . . 0.0 109.454 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.439 ' O ' ' HB2' ' A' ' 29' ' ' LYS . . . 93.29 -51.74 2.44 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -125.6 32.05 5.4 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.347 -1.09 . . . . 0.0 109.356 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.92 162.9 30.34 Favored Glycine 0 N--CA 1.488 2.165 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -89.34 148.35 23.57 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.231 -1.158 . . . . 0.0 109.486 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.475 ' HB3' ' OE2' ' A' ' 72' ' ' GLU . 3.8 m -127.38 153.69 45.92 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.199 -0.938 . . . . 0.0 109.571 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -92.83 -178.0 4.7 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.25 -0.906 . . . . 0.0 109.122 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.581 ' CE2' ' HG3' ' A' ' 71' ' ' GLN . 41.5 p90 -83.58 -28.04 28.83 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.19 -0.943 . . . . 0.0 109.962 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.581 ' HG3' ' CE2' ' A' ' 70' ' ' PHE . 3.9 mt-30 -80.12 -22.24 42.34 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.157 -0.964 . . . . 0.0 109.673 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.554 ' HG3' ' N ' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -80.41 -37.79 31.45 Favored 'General case' 0 C--N 1.307 -1.282 0 O-C-N 121.004 -1.06 . . . . 0.0 109.264 -179.738 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.619 ' CE1' ' CD1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -78.85 -26.48 44.06 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 179.394 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.482 ' HB2' ' O ' ' A' ' 70' ' ' PHE . 3.9 mmm -76.85 -45.72 27.31 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.609 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.467 ' O ' ' HG2' ' A' ' 79' ' ' MET . . . -70.66 -22.2 62.52 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 179.272 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.451 ' HB2' ' O ' ' A' ' 72' ' ' GLU . 1.5 m-85 -78.93 -36.87 41.11 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 179.487 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.509 HG13 ' CE ' ' B' ' 7' ' ' MET . 53.9 t -64.23 -26.09 39.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.579 -0.701 . . . . 0.0 109.498 179.741 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.465 ' O ' ' OG1' ' A' ' 82' ' ' THR . 0.1 OUTLIER -79.52 -66.14 0.91 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.331 -0.856 . . . . 0.0 110.324 -179.374 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.524 ' SD ' ' CG1' ' A' ' 56' ' ' VAL . 0.0 OUTLIER -43.52 -32.36 0.9 Allowed 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.168 -0.958 . . . . 0.0 110.241 -178.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.452 HG21 ' O ' ' A' ' 77' ' ' VAL . 29.8 m -80.16 -46.04 22.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 120.991 -1.068 . . . . 0.0 110.14 -179.456 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.491 ' OG1' ' O ' ' A' ' 77' ' ' VAL . 0.6 OUTLIER -78.03 2.52 17.5 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.922 -1.111 . . . . 0.0 109.233 179.512 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.513 HG23 ' CD2' ' B' ' 70' ' ' PHE . 0.2 OUTLIER -135.94 5.77 3.1 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.332 -0.855 . . . . 0.0 109.464 -179.909 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.426 ' O ' ' HG3' ' A' ' 49' ' ' GLU . . . -49.15 -71.63 0.06 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.251 -0.906 . . . . 0.0 109.419 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 174.28 43.39 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.217 -0.927 . . . . 0.0 109.759 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.477 ' CD2' ' HB3' ' A' ' 87' ' ' PHE . 0.4 OUTLIER -77.16 -170.72 1.78 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.21 -0.931 . . . . 0.0 109.379 179.8 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' ' 86' ' ' GLU . 30.8 tt0 -95.35 55.11 1.69 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.108 -0.995 . . . . 0.0 109.465 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.689 ' CZ ' ' CE2' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -81.5 -172.32 3.77 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.257 -0.902 . . . . 0.0 110.192 -179.889 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.689 ' CE2' ' CZ ' ' A' ' 87' ' ' PHE . 22.9 m-30 55.12 28.18 10.57 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.264 -0.897 . . . . 0.0 109.501 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -111.35 -70.86 0.79 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.248 -0.908 . . . . 0.0 109.244 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -154.96 24.55 0.43 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.482 -0.762 . . . . 0.0 109.275 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 117.996 -1.002 . . . . 0.0 109.493 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.513 ' CB ' ' OE1' ' A' ' 39' ' ' GLU . 0.9 OUTLIER -139.19 173.54 11.45 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.199 -0.938 . . . . 0.0 109.49 -179.937 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.528 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 4.0 tp10 -78.53 -60.9 2.19 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.402 -0.811 . . . . 0.0 109.782 -179.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.547 ' CD2' ' HB2' ' A' ' 39' ' ' GLU . 4.0 tp -62.6 -53.92 47.42 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.418 -0.801 . . . . 0.0 110.039 -179.594 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.527 ' O ' ' CG2' ' B' ' 8' ' ' VAL . 2.6 tm-20 -48.21 -35.94 12.81 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 121.095 -1.003 . . . . 0.0 110.349 -178.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.434 ' HB2' ' O ' ' B' ' 1' ' ' SER . 0.0 OUTLIER -80.18 -33.39 38.37 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.861 -1.149 . . . . 0.0 109.797 -179.697 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . 0.464 ' HB1' ' HB2' ' A' ' 9' ' ' ALA . . . -80.8 -67.78 0.74 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.357 -0.839 . . . . 0.0 110.0 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' MET . . . . . 0.509 ' CE ' HG13 ' A' ' 77' ' ' VAL . 7.0 tpp -46.17 -51.58 13.88 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.309 -0.869 . . . . 0.0 109.8 -179.555 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . 0.527 ' CG2' ' O ' ' B' ' 4' ' ' GLU . 21.5 t -63.92 -31.91 55.07 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.601 0 O-C-N 121.365 -0.835 . . . . 0.0 109.821 -179.301 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . 0.462 ' HB2' ' HB1' ' A' ' 6' ' ' ALA . . . -65.31 -34.47 78.41 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.133 -0.98 . . . . 0.0 109.462 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.517 ' CD2' HD13 ' A' ' 3' ' ' LEU . 0.6 OUTLIER -63.21 -62.52 1.64 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.445 -0.785 . . . . 0.0 109.095 179.816 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.488 ' CG2' ' CE1' ' A' ' 88' ' ' PHE . 53.7 mt -46.1 -28.57 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.434 0 O-C-N 121.359 -0.838 . . . . 0.0 108.761 179.567 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' B' ' 13' ' ' VAL . 15.4 t0 -62.65 -51.84 65.69 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.357 -0.839 . . . . 0.0 109.082 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . 0.541 ' CG2' ' HB3' ' A' ' 2' ' ' GLU . 36.3 t -45.51 -34.36 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.283 -0.886 . . . . 0.0 109.043 179.689 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.615 ' CD1' ' CE1' ' B' ' 73' ' ' PHE . 15.3 t80 -62.15 -49.84 74.27 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.349 -0.845 . . . . 0.0 109.178 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . 0.525 ' O ' ' CG ' ' B' ' 15' ' ' HIS . 4.1 t-80 -75.61 -5.04 43.44 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.271 -0.893 . . . . 0.0 109.15 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.47 ' HB2' ' HA ' ' B' ' 13' ' ' VAL . 0.5 OUTLIER -73.98 -37.65 64.39 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.214 -0.929 . . . . 0.0 109.775 -179.727 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.53 ' OH ' ' CD2' ' B' ' 35' ' ' LEU . 8.7 p90 -159.57 32.97 0.19 Allowed 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.302 -0.874 . . . . 0.0 109.239 -179.745 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.529 ' HA ' ' CD1' ' B' ' 27' ' ' LEU . 0.4 OUTLIER -59.32 -39.04 81.83 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.449 -0.782 . . . . 0.0 109.399 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . 0.464 ' O ' ' C ' ' B' ' 20' ' ' ARG . . . 173.26 69.22 0.05 OUTLIER Glycine 0 N--CA 1.488 2.162 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.464 ' C ' ' O ' ' B' ' 19' ' ' GLY . 10.8 mtm180 -36.07 -42.56 0.3 Allowed 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.69 -0.888 . . . . 0.0 110.106 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -125.65 -157.99 0.82 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.282 -0.886 . . . . 0.0 109.496 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.26 -128.36 45.77 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -70.74 -173.12 0.72 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.2 -1.176 . . . . 0.0 109.379 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.473 ' O ' ' HB2' ' B' ' 25' ' ' HIS . 1.1 tttt -132.42 128.82 38.34 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.267 -0.896 . . . . 0.0 109.695 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . 0.508 ' NE2' ' HB3' ' A' ' 88' ' ' PHE . 25.8 m-70 61.82 27.59 16.85 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.371 -0.83 . . . . 0.0 110.106 179.569 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.471 ' HG2' ' O ' ' B' ' 24' ' ' LYS . 6.3 mmtt -122.64 125.79 46.33 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.245 -0.909 . . . . 0.0 109.376 179.64 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.529 ' CD1' ' HA ' ' B' ' 18' ' ' SER . 1.6 tp -96.87 -158.25 0.65 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.215 -0.928 . . . . 0.0 109.53 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -150.45 -173.15 4.37 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.11 -0.994 . . . . 0.0 109.767 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.464 ' HG3' ' CB ' ' B' ' 63' ' ' ASP . 14.5 mmtt -80.82 -29.4 35.95 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.14 -0.975 . . . . 0.0 109.705 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 29.8 p -80.63 -36.48 32.54 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.124 -0.985 . . . . 0.0 109.536 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.476 ' O ' ' HB2' ' B' ' 35' ' ' LEU . 2.5 tt0 -80.57 -24.84 38.93 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.076 -1.015 . . . . 0.0 108.769 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.503 ' CG ' HD23 ' B' ' 60' ' ' LEU . 50.8 tp -80.35 -42.23 23.29 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 179.16 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.451 ' HB2' ' O ' ' B' ' 29' ' ' LYS . 0.4 OUTLIER -60.57 -35.68 76.66 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 179.3 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.579 ' O ' ' CB ' ' B' ' 38' ' ' ASN . 0.0 OUTLIER -80.34 -32.44 37.86 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 179.206 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.562 ' N ' ' HG3' ' B' ' 34' ' ' GLU . 0.1 OUTLIER -53.56 -48.47 69.11 Favored 'General case' 0 C--N 1.297 -1.682 0 CA-C-O 121.735 0.778 . . . . 0.0 108.906 179.335 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.549 ' O ' ' HB2' ' B' ' 40' ' ' LEU . 0.3 OUTLIER -80.45 -54.35 10.83 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 O-C-N 121.567 -0.708 . . . . 0.0 110.507 -179.246 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -70.52 -0.65 8.91 Favored 'General case' 0 C--N 1.294 -1.841 0 O-C-N 120.72 -1.238 . . . . 0.0 111.946 -177.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.579 ' CB ' ' O ' ' B' ' 34' ' ' GLU . 2.0 t30 -102.94 -33.02 9.46 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.558 -1.339 . . . . 0.0 110.478 -179.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.53 ' HB2' ' CD2' ' A' ' 3' ' ' LEU . 3.7 mm-40 -114.57 -26.15 8.03 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.894 -1.129 . . . . 0.0 110.586 -179.015 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.635 ' CD2' ' N ' ' B' ' 40' ' ' LEU . 1.2 mm? -79.42 -52.85 7.53 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 -179.728 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.446 ' C ' ' O ' ' B' ' 40' ' ' LEU . 26.8 t -39.2 97.18 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 CA-C-O 121.284 0.564 . . . . 0.0 109.9 179.627 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . 0.458 ' N ' ' O ' ' B' ' 40' ' ' LEU . 8.2 t60 -179.58 -34.03 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.406 -0.809 . . . . 0.0 109.105 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . 0.45 ' O ' ' HB2' ' B' ' 85' ' ' HIS . 0.0 OUTLIER -116.68 25.1 10.81 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.369 -0.832 . . . . 0.0 108.99 179.645 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 8.0 mp -97.7 115.56 28.2 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.406 -0.809 . . . . 0.0 109.539 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -125.89 -75.11 0.59 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.33 -0.856 . . . . 0.0 109.413 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.402 ' O ' ' HB ' ' B' ' 47' ' ' ILE . 7.5 mt-10 -90.69 -45.66 8.73 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.379 -0.826 . . . . 0.0 109.483 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.402 ' HB ' ' O ' ' B' ' 46' ' ' GLU . 10.1 mm 66.39 82.28 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.23 -0.919 . . . . 0.0 109.433 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.4 -34.04 72.07 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.238 -0.914 . . . . 0.0 109.57 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.51 ' OE1' ' CG2' ' B' ' 52' ' ' VAL . 13.6 mm-40 -85.9 61.62 6.96 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.077 -1.014 . . . . 0.0 109.235 179.722 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . 0.484 ' O ' ' HB2' ' B' ' 54' ' ' ASP . 6.8 tt0 -55.84 -24.63 37.67 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.182 -0.949 . . . . 0.0 109.434 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.465 ' O ' ' HB2' ' B' ' 55' ' ' LYS . 1.8 mt-10 -76.96 -32.4 57.26 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.236 -0.915 . . . . 0.0 109.708 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.51 ' CG2' ' OE1' ' B' ' 49' ' ' GLU . 79.0 t -69.47 -50.0 54.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.214 -0.929 . . . . 0.0 109.882 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.43 ' O ' HG11 ' B' ' 53' ' ' VAL . 72.7 t -75.16 -30.43 23.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.074 -1.017 . . . . 0.0 109.45 -179.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . 0.484 ' HB2' ' O ' ' B' ' 50' ' ' GLN . 1.8 m-20 -79.93 -18.17 51.18 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.288 -0.883 . . . . 0.0 108.681 179.318 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.465 ' HB2' ' O ' ' B' ' 51' ' ' GLU . 7.4 tmtt? -78.4 -45.74 21.6 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.348 -0.845 . . . . 0.0 109.139 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.523 ' CG1' ' SD ' ' B' ' 79' ' ' MET . 4.3 m -76.28 -38.61 33.73 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.364 0 O-C-N 121.155 -0.966 . . . . 0.0 108.887 179.445 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 47.4 tpp -69.03 -23.7 64.1 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 179.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . 0.464 ' HB2' ' O ' ' B' ' 54' ' ' ASP . 10.1 mt-10 -74.09 -56.95 4.31 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.44 -0.787 . . . . 0.0 109.092 179.559 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.3 m -60.24 -26.81 66.72 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.132 -0.98 . . . . 0.0 108.399 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.503 HD23 ' CG ' ' B' ' 32' ' ' LEU . 10.5 mt -67.57 -53.59 27.01 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.631 -0.668 . . . . 0.0 109.486 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.94 -5.49 51.31 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.494 -0.754 . . . . 0.0 109.724 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -73.5 -57.69 3.83 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.2 -0.938 . . . . 0.0 109.618 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.464 ' CB ' ' HG3' ' B' ' 29' ' ' LYS . 0.8 OUTLIER -79.31 -64.17 1.25 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.358 -0.839 . . . . 0.0 109.489 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . 0.443 ' O ' ' HB2' ' B' ' 29' ' ' LYS . . . 93.31 -51.83 2.44 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.549 -1.421 . . . . 0.0 109.549 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -125.53 31.92 5.44 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.354 -1.086 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.82 162.89 30.46 Favored Glycine 0 N--CA 1.489 2.183 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -89.28 148.27 23.66 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.363 -1.081 . . . . 0.0 109.509 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.476 ' HB3' ' OE2' ' B' ' 72' ' ' GLU . 3.8 m -127.34 153.74 45.82 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.165 -0.959 . . . . 0.0 109.556 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -92.83 -177.97 4.69 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.351 -0.843 . . . . 0.0 109.089 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.573 ' CE2' ' HG3' ' B' ' 71' ' ' GLN . 41.7 p90 -83.71 -28.05 28.55 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.08 -1.013 . . . . 0.0 109.805 -179.59 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . 0.573 ' HG3' ' CE2' ' B' ' 70' ' ' PHE . 3.9 mt-30 -80.09 -22.14 42.55 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.048 -1.033 . . . . 0.0 109.705 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.558 ' HG3' ' N ' ' B' ' 73' ' ' PHE . 0.0 OUTLIER -80.47 -37.87 31.03 Favored 'General case' 0 C--N 1.306 -1.29 0 O-C-N 120.946 -1.096 . . . . 0.0 109.263 -179.755 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.615 ' CE1' ' CD1' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -78.78 -26.55 44.44 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 179.4 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' MET . . . . . 0.486 ' HB2' ' O ' ' B' ' 70' ' ' PHE . 3.9 mmm -76.82 -45.76 27.39 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.59 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.472 ' O ' ' HG2' ' B' ' 79' ' ' MET . . . -70.62 -22.2 62.55 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 179.321 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.458 ' HB2' ' O ' ' B' ' 72' ' ' GLU . 1.5 m-85 -78.92 -36.95 41.06 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 179.493 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.521 HG13 ' CE ' ' A' ' 7' ' ' MET . 54.0 t -64.14 -26.13 39.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.633 -0.667 . . . . 0.0 109.418 179.69 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.465 ' O ' ' OG1' ' B' ' 82' ' ' THR . 0.1 OUTLIER -79.58 -66.11 0.92 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.198 -0.939 . . . . 0.0 110.399 -179.376 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' MET . . . . . 0.523 ' SD ' ' CG1' ' B' ' 56' ' ' VAL . 0.0 OUTLIER -43.55 -32.22 0.88 Allowed 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.191 -0.943 . . . . 0.0 110.262 -178.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . 0.453 HG21 ' O ' ' B' ' 77' ' ' VAL . 29.9 m -80.16 -46.17 22.09 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.04 -1.037 . . . . 0.0 110.134 -179.46 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.489 ' OG1' ' O ' ' B' ' 77' ' ' VAL . 0.6 OUTLIER -77.93 2.35 17.72 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.108 -0.995 . . . . 0.0 109.132 179.554 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.534 HG23 ' CD2' ' A' ' 70' ' ' PHE . 0.2 OUTLIER -135.86 5.86 3.12 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.31 -0.869 . . . . 0.0 109.462 -179.85 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . 0.429 ' O ' ' HG3' ' B' ' 49' ' ' GLU . . . -49.24 -71.6 0.06 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.265 -0.897 . . . . 0.0 109.52 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 174.31 43.38 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.245 -0.909 . . . . 0.0 109.676 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.49 ' CD2' ' HB3' ' B' ' 87' ' ' PHE . 0.4 OUTLIER -77.2 -170.74 1.8 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.162 -0.961 . . . . 0.0 109.282 179.832 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' B' ' 86' ' ' GLU . 30.8 tt0 -95.43 55.22 1.69 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.24 -0.913 . . . . 0.0 109.389 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . 0.686 ' CZ ' ' CE2' ' B' ' 88' ' ' PHE . 0.0 OUTLIER -81.63 -172.26 3.77 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.35 -0.844 . . . . 0.0 110.158 -179.894 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.686 ' CE2' ' CZ ' ' B' ' 87' ' ' PHE . 22.8 m-30 55.12 28.05 10.38 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.224 -0.922 . . . . 0.0 109.546 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -111.26 -70.91 0.79 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.353 -0.842 . . . . 0.0 109.248 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -154.85 24.53 0.44 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.506 -0.747 . . . . 0.0 109.294 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 118.027 -0.987 . . . . 0.0 109.539 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 24.0 ttt . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.88 159.46 38.53 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.375 -0.828 . . . . 0.0 109.479 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.544 ' HB3' ' CG2' ' B' ' 13' ' ' VAL . 1.3 tp10 -79.62 -29.79 41.18 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.239 -0.913 . . . . 0.0 109.74 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.532 ' CD2' HD11 ' B' ' 35' ' ' LEU . 5.3 tp -73.99 -42.01 61.06 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.199 -0.938 . . . . 0.0 109.841 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.489 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 2.3 tm-20 -73.09 -51.64 17.27 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.294 -0.879 . . . . 0.0 110.046 -179.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -31.15 71.73 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.035 -1.041 . . . . 0.0 110.37 -179.416 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.53 ' CB ' ' O ' ' A' ' 2' ' ' GLU . . . -80.31 -63.25 1.45 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.084 -1.01 . . . . 0.0 110.365 -179.318 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.504 ' CE ' HG13 ' B' ' 77' ' ' VAL . 14.3 tpp -53.49 -52.66 58.84 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.153 -0.967 . . . . 0.0 109.819 -179.283 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.489 ' CG2' ' O ' ' A' ' 4' ' ' GLU . 10.8 t -61.8 -28.08 43.52 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.597 0 O-C-N 121.262 -0.899 . . . . 0.0 109.464 -179.499 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.471 ' HB2' ' HB1' ' B' ' 6' ' ' ALA . . . -65.96 -39.1 90.12 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.142 -0.974 . . . . 0.0 108.921 179.339 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.466 HD22 HD13 ' B' ' 3' ' ' LEU . 0.1 OUTLIER -59.53 -28.36 67.02 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.344 -0.847 . . . . 0.0 109.017 179.783 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.527 ' CD1' ' N ' ' A' ' 11' ' ' ILE . 1.3 mp -70.88 -31.8 46.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 179.167 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.449 ' HB3' ' HG2' ' B' ' 2' ' ' GLU . 10.8 t70 -64.35 -57.89 8.04 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.479 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.549 ' CG1' ' N ' ' A' ' 14' ' ' PHE . 0.5 OUTLIER -55.95 -56.83 10.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 179.417 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.553 ' CD1' ' CE2' ' A' ' 73' ' ' PHE . 40.0 t80 -43.1 -34.42 1.06 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.592 -0.692 . . . . 0.0 109.951 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 26.2 t-80 -73.7 -49.07 27.51 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.114 -0.992 . . . . 0.0 109.319 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.79 -34.83 41.62 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.444 -0.785 . . . . 0.0 109.396 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.588 ' CZ ' HD23 ' A' ' 35' ' ' LEU . 51.6 m-85 -81.84 -35.08 29.77 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.441 -0.787 . . . . 0.0 109.78 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.483 ' HB3' ' O ' ' A' ' 24' ' ' LYS . 0.5 OUTLIER -93.39 25.52 3.37 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.236 -0.915 . . . . 0.0 109.602 -179.643 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -113.11 4.49 25.43 Favored Glycine 0 N--CA 1.487 2.065 0 N-CA-C 109.67 -1.372 . . . . 0.0 109.67 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.445 ' O ' ' O ' ' A' ' 21' ' ' GLU . 32.6 mtt180 -87.05 91.21 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.197 -1.178 . . . . 0.0 109.759 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.445 ' O ' ' O ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER 41.3 -163.19 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.24 -0.912 . . . . 0.0 109.84 179.799 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.6 -162.39 53.57 Favored Glycine 0 N--CA 1.489 2.202 0 N-CA-C 109.395 -1.482 . . . . 0.0 109.395 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.507 ' O ' ' HB2' ' A' ' 24' ' ' LYS . 2.3 m-20 -57.55 -95.59 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.172 -1.193 . . . . 0.0 109.405 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.507 ' HB2' ' O ' ' A' ' 23' ' ' ASP . 4.3 tppt? 172.43 -24.17 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.365 -0.834 . . . . 0.0 109.687 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 2.6 m80 -132.79 49.55 2.31 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.064 -1.023 . . . . 0.0 109.446 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.491 ' CD ' ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -143.77 122.88 12.89 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.128 -0.983 . . . . 0.0 109.656 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.408 HD22 ' HA ' ' A' ' 27' ' ' LEU . 1.7 mt -98.31 -161.37 0.87 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.227 -0.921 . . . . 0.0 109.222 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.463 ' O ' ' CB ' ' A' ' 32' ' ' LEU . 33.4 mtpt -141.96 -174.5 4.1 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.125 -0.984 . . . . 0.0 109.458 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.5 mmtp -89.19 -25.76 21.61 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.164 -0.96 . . . . 0.0 109.308 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 29.3 p -80.4 -46.04 16.67 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.331 -0.856 . . . . 0.0 109.472 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.471 ' O ' ' HB2' ' A' ' 35' ' ' LEU . 14.1 tt0 -74.81 -22.94 58.44 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 179.554 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.488 ' CD2' ' SG ' ' A' ' 68' ' ' CYS . 16.6 tp -77.62 -44.21 29.03 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 178.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.487 ' CA ' HD23 ' A' ' 60' ' ' LEU . 38.9 tttm -57.08 -41.67 79.24 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 179.159 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.553 ' HG3' ' N ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -74.77 -32.9 62.18 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 179.484 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.588 HD23 ' CZ ' ' A' ' 17' ' ' TYR . 0.1 OUTLIER -56.24 -42.89 78.07 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-O 121.245 0.545 . . . . 0.0 109.738 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.527 ' O ' ' CB ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -81.16 -48.98 18.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.357 -0.839 . . . . 0.0 110.46 -179.37 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.464 ' HA ' ' HB2' ' A' ' 41' ' ' SER . 50.5 t-20 -77.33 0.5 22.06 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.959 -1.088 . . . . 0.0 111.384 -178.329 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.528 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 10.1 t30 -113.35 -72.74 0.69 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.746 -1.222 . . . . 0.0 110.194 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.471 ' HB3' ' HB3' ' B' ' 3' ' ' LEU . 87.7 mt-10 -85.14 12.5 7.73 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.112 -0.993 . . . . 0.0 109.848 -179.444 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.527 ' CB ' ' O ' ' A' ' 36' ' ' ILE . 0.2 OUTLIER -128.73 -32.31 2.13 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.315 -0.866 . . . . 0.0 109.318 179.845 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.464 ' HB2' ' HA ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -71.74 81.54 0.87 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.357 -0.839 . . . . 0.0 109.67 179.703 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -124.88 -12.55 7.04 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.157 -0.964 . . . . 0.0 109.284 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.491 ' CD1' ' N ' ' A' ' 43' ' ' PHE . 5.0 p90 -138.53 27.81 2.49 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.242 -0.911 . . . . 0.0 109.06 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.462 HD13 HG12 ' A' ' 47' ' ' ILE . 1.5 tt -99.24 145.01 27.7 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.355 -0.84 . . . . 0.0 109.536 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -170.72 -33.71 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.275 -0.891 . . . . 0.0 109.783 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.457 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 0.2 OUTLIER -125.71 -37.49 2.31 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.134 -0.979 . . . . 0.0 108.711 179.825 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.48 ' CG2' HG22 ' A' ' 53' ' ' VAL . 66.9 mt 64.0 112.27 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.155 -0.965 . . . . 0.0 109.415 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.46 ' HB3' ' O ' ' A' ' 84' ' ' CYS . 22.6 tptm -89.71 -44.86 9.73 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.197 -0.939 . . . . 0.0 109.477 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.461 ' HB3' ' HB ' ' A' ' 52' ' ' VAL . 12.3 mm-40 -79.46 77.66 6.01 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.065 -1.022 . . . . 0.0 109.311 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.544 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 6.4 tt0 -60.72 -22.63 64.18 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.259 -0.9 . . . . 0.0 109.544 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.449 ' O ' ' HE2' ' A' ' 55' ' ' LYS . 3.9 mt-10 -80.15 -36.18 35.51 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.26 -0.9 . . . . 0.0 109.955 -179.607 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.499 ' CG1' ' HB3' ' A' ' 83' ' ' ALA . 90.9 t -72.76 -43.9 60.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.189 -0.944 . . . . 0.0 109.83 -179.582 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.48 HG22 ' CG2' ' A' ' 47' ' ' ILE . 45.7 t -77.27 -26.32 15.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.138 -0.976 . . . . 0.0 109.13 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.544 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 15.2 t70 -77.73 -27.64 50.61 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.319 -0.863 . . . . 0.0 109.516 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.531 ' HG3' ' N ' ' A' ' 56' ' ' VAL . 1.6 ptpt -80.44 -44.8 18.67 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.071 -1.018 . . . . 0.0 109.768 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.531 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 35.5 m -73.79 -46.25 47.6 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.306 0 O-C-N 120.969 -1.082 . . . . 0.0 108.59 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.472 ' CB ' ' O ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -62.97 -25.11 68.22 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 179.128 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.489 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 17.3 mt-10 -75.06 -56.66 4.52 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.303 -0.873 . . . . 0.0 108.867 179.509 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -56.42 -26.26 52.89 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 179.127 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.487 HD23 ' CA ' ' A' ' 33' ' ' LYS . 11.0 mt -68.71 -57.12 6.12 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.7 1.57 29.59 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.441 -0.787 . . . . 0.0 109.781 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -80.36 -51.68 8.58 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.172 -0.955 . . . . 0.0 109.792 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.76 -60.38 1.83 Allowed 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.321 -0.862 . . . . 0.0 109.603 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.07 -53.04 4.61 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.454 -1.459 . . . . 0.0 109.454 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -108.42 32.8 4.55 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.203 -1.175 . . . . 0.0 109.425 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.95 -179.57 44.42 Favored Glycine 0 N--CA 1.488 2.158 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.415 ' HA ' ' HA ' ' A' ' 28' ' ' LYS . 0.8 OUTLIER -122.62 129.47 51.91 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.186 -1.185 . . . . 0.0 109.594 -179.88 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.488 ' SG ' ' CD2' ' A' ' 32' ' ' LEU . 1.3 m -97.04 153.15 18.1 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.283 -0.886 . . . . 0.0 109.242 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -89.83 -161.82 0.82 Allowed 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.288 -0.883 . . . . 0.0 109.249 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -91.72 -44.97 8.69 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.074 -1.016 . . . . 0.0 109.116 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.501 ' HG3' ' N ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -75.53 -20.67 58.55 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.246 -0.909 . . . . 0.0 109.012 179.567 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.501 ' N ' ' HG3' ' A' ' 71' ' ' GLN . 0.7 OUTLIER -76.78 -55.89 5.09 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.431 -0.793 . . . . 0.0 109.162 179.729 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.553 ' CE2' ' CD1' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -60.78 -22.3 63.96 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.256 -0.902 . . . . 0.0 108.97 179.618 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.06 -51.55 9.42 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.334 -0.854 . . . . 0.0 109.734 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.458 ' O ' ' HG3' ' A' ' 79' ' ' MET . . . -69.07 -14.54 63.08 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.355 -0.841 . . . . 0.0 109.184 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.9 -33.91 39.5 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.364 -0.835 . . . . 0.0 109.368 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.523 HG13 ' CE ' ' B' ' 7' ' ' MET . 59.4 t -74.7 -26.85 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.38 -0.825 . . . . 0.0 109.552 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 52.9 m -77.66 -37.78 49.11 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.216 -0.928 . . . . 0.0 110.642 -179.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.458 ' HG3' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -66.86 -33.73 76.25 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.982 -1.074 . . . . 0.0 110.503 -179.047 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.451 HG22 ' CG2' ' A' ' 36' ' ' ILE . 6.7 m -80.32 -39.26 18.81 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 120.974 -1.078 . . . . 0.0 109.895 -179.494 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.487 ' OG1' ' O ' ' A' ' 77' ' ' VAL . 3.1 m -62.03 -15.47 44.68 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.007 -1.058 . . . . 0.0 108.65 179.195 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.453 ' CG2' ' HB3' ' B' ' 71' ' ' GLN . 87.3 m -103.91 -15.65 15.59 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.568 -0.707 . . . . 0.0 109.386 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.499 ' HB3' ' CG1' ' A' ' 52' ' ' VAL . . . -91.22 57.13 3.32 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.391 -0.818 . . . . 0.0 109.822 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.461 ' O ' ' O ' ' A' ' 85' ' ' HIS . 0.0 OUTLIER -119.12 -167.03 1.32 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.255 -0.903 . . . . 0.0 109.216 179.623 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.468 ' NE2' ' N ' ' A' ' 89' ' ' GLU . 1.7 p-80 -53.43 -172.37 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.215 -0.928 . . . . 0.0 109.372 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 85' ' ' HIS . 0.4 OUTLIER -44.79 100.27 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.192 -0.943 . . . . 0.0 109.392 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.429 ' N ' ' O ' ' A' ' 85' ' ' HIS . 1.8 t80 58.33 -147.88 0.49 Allowed 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.281 -0.887 . . . . 0.0 109.501 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.502 ' N ' ' CD1' ' A' ' 88' ' ' PHE . 0.4 OUTLIER -110.11 56.49 0.63 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.192 -0.942 . . . . 0.0 109.236 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.468 ' N ' ' NE2' ' A' ' 85' ' ' HIS . 6.0 tt0 -65.76 94.42 0.21 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.153 -0.967 . . . . 0.0 109.459 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -104.2 -26.91 12.34 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.43 -0.793 . . . . 0.0 109.278 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 118.018 -0.991 . . . . 0.0 109.482 -179.979 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 24.0 ttt . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 121.332 0.586 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.83 159.48 38.42 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.301 -0.874 . . . . 0.0 109.463 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.531 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 1.3 tp10 -79.65 -29.82 41.05 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.257 -0.902 . . . . 0.0 109.743 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.529 ' CD2' HD11 ' A' ' 35' ' ' LEU . 5.3 tp -74.05 -41.73 61.32 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.283 -0.885 . . . . 0.0 109.755 -179.653 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.497 ' O ' ' CG2' ' B' ' 8' ' ' VAL . 2.3 tm-20 -73.32 -51.53 17.17 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.245 -0.91 . . . . 0.0 110.01 -179.369 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.62 -31.11 71.59 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.073 -1.017 . . . . 0.0 110.224 -179.315 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . 0.524 ' CB ' ' O ' ' B' ' 2' ' ' GLU . . . -80.33 -63.29 1.44 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.188 -0.945 . . . . 0.0 110.348 -179.237 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' MET . . . . . 0.523 ' CE ' HG13 ' A' ' 77' ' ' VAL . 14.4 tpp -53.46 -52.72 58.59 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.252 -0.905 . . . . 0.0 109.829 -179.291 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' B' ' 4' ' ' GLU . 10.7 t -61.64 -28.21 43.66 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.534 0 O-C-N 121.238 -0.914 . . . . 0.0 109.489 -179.629 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . 0.449 ' HB2' ' HG3' ' A' ' 2' ' ' GLU . . . -65.93 -39.16 90.26 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.212 -0.93 . . . . 0.0 108.991 179.368 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.438 HD22 HD13 ' A' ' 3' ' ' LEU . 0.1 OUTLIER -59.38 -28.43 66.88 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.349 -0.844 . . . . 0.0 108.923 179.811 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.517 ' CD1' ' N ' ' B' ' 11' ' ' ILE . 1.2 mp -70.81 -31.93 47.31 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 179.177 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . 0.416 ' HB3' ' HG2' ' A' ' 2' ' ' GLU . 10.8 t70 -64.38 -57.77 8.38 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.458 -0.776 . . . . 0.0 108.977 179.46 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . 0.546 ' CG1' ' N ' ' B' ' 14' ' ' PHE . 0.5 OUTLIER -56.0 -56.9 10.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 179.397 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.558 ' CD1' ' CE2' ' B' ' 73' ' ' PHE . 40.0 t80 -43.12 -34.36 1.06 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.592 -0.693 . . . . 0.0 109.867 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 26.1 t-80 -73.79 -49.02 27.3 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.191 -0.943 . . . . 0.0 109.398 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.77 -34.88 41.61 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.452 -0.78 . . . . 0.0 109.518 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.59 ' CZ ' HD23 ' B' ' 35' ' ' LEU . 51.5 m-85 -81.81 -35.16 29.79 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.456 -0.777 . . . . 0.0 109.7 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.482 ' HB3' ' O ' ' B' ' 24' ' ' LYS . 0.5 OUTLIER -93.29 25.45 3.35 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.331 -0.856 . . . . 0.0 109.662 -179.67 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -113.12 4.57 25.42 Favored Glycine 0 N--CA 1.489 2.179 0 N-CA-C 109.715 -1.354 . . . . 0.0 109.715 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.453 ' O ' ' O ' ' B' ' 21' ' ' GLU . 32.4 mtt180 -87.03 91.22 8.63 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.174 -1.191 . . . . 0.0 109.722 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.453 ' O ' ' O ' ' B' ' 20' ' ' ARG . 0.2 OUTLIER 41.23 -163.32 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.447 -0.783 . . . . 0.0 109.802 179.767 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.7 -162.52 53.69 Favored Glycine 0 N--CA 1.49 2.233 0 N-CA-C 109.346 -1.502 . . . . 0.0 109.346 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.521 ' O ' ' HB2' ' B' ' 24' ' ' LYS . 2.3 m-20 -57.46 -95.66 0.0 OUTLIER 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.24 -1.153 . . . . 0.0 109.402 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.521 ' HB2' ' O ' ' B' ' 23' ' ' ASP . 4.3 tppt? 172.38 -24.02 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.465 -0.772 . . . . 0.0 109.638 179.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -132.93 49.42 2.32 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.012 -1.055 . . . . 0.0 109.493 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.484 ' CD ' ' O ' ' B' ' 26' ' ' LYS . 0.0 OUTLIER -143.77 122.92 12.91 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.226 -0.921 . . . . 0.0 109.727 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.8 mt -98.34 -161.54 0.88 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.359 -0.838 . . . . 0.0 109.28 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.466 ' O ' ' CB ' ' B' ' 32' ' ' LEU . 33.6 mtpt -141.81 -174.4 4.06 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.166 -0.959 . . . . 0.0 109.587 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 2.5 mmtp -89.29 -25.72 21.53 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.035 -1.041 . . . . 0.0 109.248 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 29.1 p -80.58 -46.0 16.44 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.284 -0.885 . . . . 0.0 109.45 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.474 ' O ' ' HB2' ' B' ' 35' ' ' LEU . 14.0 tt0 -74.89 -22.95 58.34 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.53 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.483 ' CD2' ' SG ' ' B' ' 68' ' ' CYS . 16.8 tp -77.55 -44.23 29.25 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 178.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.481 ' CA ' HD23 ' B' ' 60' ' ' LEU . 38.8 tttm -57.19 -41.67 79.8 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 179.173 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.558 ' HG3' ' N ' ' B' ' 35' ' ' LEU . 0.0 OUTLIER -74.76 -32.92 62.2 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.596 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.59 HD23 ' CZ ' ' B' ' 17' ' ' TYR . 0.1 OUTLIER -56.4 -42.86 78.66 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.818 -0.552 . . . . 0.0 109.623 -179.907 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.518 ' O ' ' CB ' ' B' ' 40' ' ' LEU . 0.3 OUTLIER -81.07 -48.99 18.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.387 -0.821 . . . . 0.0 110.542 -179.425 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.455 ' HA ' ' HB2' ' B' ' 41' ' ' SER . 50.3 t-20 -77.38 0.42 22.49 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.038 -1.039 . . . . 0.0 111.266 -178.317 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.537 ' CB ' ' O ' ' B' ' 34' ' ' GLU . 10.0 t30 -113.26 -72.93 0.68 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.636 -1.29 . . . . 0.0 110.235 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.439 ' HB3' ' HB3' ' A' ' 3' ' ' LEU . 87.7 mt-10 -85.04 12.54 7.48 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.162 -0.962 . . . . 0.0 109.856 -179.443 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.518 ' CB ' ' O ' ' B' ' 36' ' ' ILE . 0.2 OUTLIER -128.85 -32.32 2.11 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.231 -0.918 . . . . 0.0 109.227 179.868 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.455 ' HB2' ' HA ' ' B' ' 37' ' ' ASN . 0.2 OUTLIER -71.85 81.6 0.9 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.346 -0.846 . . . . 0.0 109.61 179.784 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 7.6 t-80 -124.83 -12.48 7.07 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.172 -0.955 . . . . 0.0 109.226 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . 0.485 ' CD1' ' N ' ' B' ' 43' ' ' PHE . 5.0 p90 -138.55 27.8 2.49 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.228 -0.92 . . . . 0.0 109.066 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.454 HD13 HG12 ' B' ' 47' ' ' ILE . 1.5 tt -99.23 145.16 27.54 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.325 -0.86 . . . . 0.0 109.614 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -170.81 -33.87 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.329 -0.857 . . . . 0.0 109.819 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.457 ' O ' ' HB ' ' B' ' 47' ' ' ILE . 0.3 OUTLIER -125.73 -37.49 2.31 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.133 -0.979 . . . . 0.0 108.707 179.896 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.484 ' CG2' HG22 ' B' ' 53' ' ' VAL . 67.2 mt 63.9 112.43 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.263 -0.898 . . . . 0.0 109.388 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.468 ' HB3' ' O ' ' B' ' 84' ' ' CYS . 22.5 tptm -89.78 -44.86 9.69 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.155 -0.965 . . . . 0.0 109.459 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.467 ' HB2' ' HA ' ' B' ' 83' ' ' ALA . 12.3 mm-40 -79.44 77.67 5.99 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.199 -0.938 . . . . 0.0 109.324 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . 0.538 ' O ' ' CB ' ' B' ' 54' ' ' ASP . 6.4 tt0 -60.79 -22.56 64.24 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.307 -0.87 . . . . 0.0 109.577 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.456 ' O ' ' HE2' ' B' ' 55' ' ' LYS . 3.9 mt-10 -80.13 -36.19 35.63 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.292 -0.88 . . . . 0.0 109.938 -179.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.501 ' CG1' ' HB3' ' B' ' 83' ' ' ALA . 91.7 t -72.75 -43.91 60.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.053 -1.03 . . . . 0.0 109.847 -179.57 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.484 HG22 ' CG2' ' B' ' 47' ' ' ILE . 45.4 t -77.47 -26.08 15.18 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.51 0 O-C-N 121.083 -1.011 . . . . 0.0 109.179 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . 0.538 ' CB ' ' O ' ' B' ' 50' ' ' GLN . 15.1 t70 -77.82 -27.65 50.04 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.41 -0.806 . . . . 0.0 109.409 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.518 ' HG3' ' N ' ' B' ' 56' ' ' VAL . 1.6 ptpt -80.38 -44.85 18.71 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.117 -0.989 . . . . 0.0 109.879 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.518 ' N ' ' HG3' ' B' ' 55' ' ' LYS . 35.5 m -73.79 -46.19 47.77 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 O-C-N 120.79 -1.194 . . . . 0.0 108.651 179.63 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.477 ' CB ' ' O ' ' B' ' 53' ' ' VAL . 0.0 OUTLIER -62.99 -25.18 68.26 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.091 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . 0.475 ' HB2' ' O ' ' B' ' 54' ' ' ASP . 17.2 mt-10 -74.95 -56.58 4.61 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.298 -0.876 . . . . 0.0 108.847 179.536 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -56.62 -26.18 55.13 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 179.152 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.481 HD23 ' CA ' ' B' ' 33' ' ' LYS . 10.9 mt -68.72 -57.07 6.18 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.574 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.84 1.71 29.51 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.512 -0.742 . . . . 0.0 109.734 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -80.38 -51.65 8.6 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.208 -0.933 . . . . 0.0 109.717 -179.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.88 -60.34 1.83 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.338 -0.851 . . . . 0.0 109.663 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.17 -53.23 4.61 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -108.26 32.68 4.61 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.126 -1.22 . . . . 0.0 109.404 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.82 -179.58 44.6 Favored Glycine 0 N--CA 1.489 2.173 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.412 ' HA ' ' HA ' ' B' ' 28' ' ' LYS . 0.8 OUTLIER -122.58 129.61 52.11 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.231 -1.158 . . . . 0.0 109.589 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.483 ' SG ' ' CD2' ' B' ' 32' ' ' LEU . 1.3 m -97.15 153.21 18.12 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.348 -0.845 . . . . 0.0 109.246 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -89.86 -161.81 0.82 Allowed 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.277 -0.889 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -91.73 -45.01 8.66 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.234 -0.916 . . . . 0.0 109.013 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . 0.497 ' HG3' ' N ' ' B' ' 72' ' ' GLU . 0.0 OUTLIER -75.54 -20.57 58.58 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.194 -0.941 . . . . 0.0 109.061 179.647 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.497 ' N ' ' HG3' ' B' ' 71' ' ' GLN . 0.7 OUTLIER -76.83 -55.82 5.14 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.48 -0.763 . . . . 0.0 109.23 179.658 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.558 ' CE2' ' CD1' ' B' ' 14' ' ' PHE . 0.1 OUTLIER -60.86 -22.31 64.12 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.319 -0.863 . . . . 0.0 108.891 179.602 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.1 -51.6 9.33 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.246 -0.909 . . . . 0.0 109.676 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.448 ' O ' ' HG3' ' B' ' 79' ' ' MET . . . -68.98 -14.64 63.16 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.294 -0.879 . . . . 0.0 109.177 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.77 -34.02 40.13 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.433 -0.792 . . . . 0.0 109.408 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.504 HG13 ' CE ' ' A' ' 7' ' ' MET . 59.0 t -74.61 -26.94 20.35 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.475 0 O-C-N 121.394 -0.816 . . . . 0.0 109.475 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.43 ' HA ' ' CE ' ' A' ' 7' ' ' MET . 53.0 m -77.62 -37.99 48.97 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.289 -0.882 . . . . 0.0 110.623 -179.315 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' MET . . . . . 0.448 ' HG3' ' O ' ' B' ' 75' ' ' ALA . 0.0 OUTLIER -66.7 -33.76 76.36 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.96 -1.087 . . . . 0.0 110.559 -179.097 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . 0.461 HG11 HG23 ' B' ' 56' ' ' VAL . 6.6 m -80.2 -39.45 19.22 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 O-C-N 121.052 -1.03 . . . . 0.0 109.855 -179.453 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.485 ' OG1' ' O ' ' B' ' 77' ' ' VAL . 3.2 m -62.03 -15.45 44.5 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.107 -0.996 . . . . 0.0 108.526 179.336 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 87.0 m -103.93 -15.61 15.59 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.548 -0.72 . . . . 0.0 109.393 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . 0.501 ' HB3' ' CG1' ' B' ' 52' ' ' VAL . . . -91.37 57.23 3.29 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.346 -0.846 . . . . 0.0 109.819 -179.713 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . 0.468 ' O ' ' HB3' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -119.21 -167.15 1.35 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.207 -0.933 . . . . 0.0 109.149 179.599 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.458 ' O ' ' O ' ' B' ' 84' ' ' CYS . 1.7 p-80 -53.32 -172.45 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.188 -0.945 . . . . 0.0 109.447 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' B' ' 85' ' ' HIS . 0.4 OUTLIER -44.66 100.3 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.201 -0.937 . . . . 0.0 109.346 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . 0.422 ' N ' ' O ' ' B' ' 85' ' ' HIS . 1.8 t80 58.27 -147.77 0.5 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.116 -0.99 . . . . 0.0 109.449 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.485 ' N ' ' CD1' ' B' ' 88' ' ' PHE . 0.4 OUTLIER -110.13 56.55 0.62 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.231 -0.918 . . . . 0.0 109.245 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.455 ' N ' ' NE2' ' B' ' 85' ' ' HIS . 6.1 tt0 -65.81 94.4 0.21 Allowed 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.259 -0.901 . . . . 0.0 109.498 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -104.21 -26.83 12.37 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.392 -0.818 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 . . . . . 0 N--CA 1.489 1.495 0 CA-C-O 117.993 -1.003 . . . . 0.0 109.467 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.483 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.401 ' O ' ' HB2' ' A' ' 5' ' ' LYS . 89.0 p -118.04 -161.0 0.81 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.293 -0.879 . . . . 0.0 109.425 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.534 ' HB3' ' CG2' ' B' ' 13' ' ' VAL . 1.0 OUTLIER -77.86 -67.19 0.75 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.297 -0.877 . . . . 0.0 109.721 -179.871 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.508 ' HB3' ' CB ' ' B' ' 39' ' ' GLU . 15.8 tp -56.86 -56.85 16.29 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.4 -0.812 . . . . 0.0 109.875 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.539 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 5.3 tm-20 -43.74 -33.5 1.28 Allowed 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.405 -0.809 . . . . 0.0 110.071 -179.129 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 1' ' ' SER . 0.0 OUTLIER -80.78 -40.0 25.83 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.953 -1.092 . . . . 0.0 110.13 -179.671 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.486 ' HB3' ' CB ' ' B' ' 9' ' ' ALA . . . -79.79 -65.6 0.98 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.306 -0.871 . . . . 0.0 109.993 -179.323 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.516 ' HG2' ' CD1' ' B' ' 40' ' ' LEU . 8.1 tpt -45.6 -52.07 11.13 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.391 -0.818 . . . . 0.0 109.801 -179.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.557 HG23 ' CE1' ' B' ' 43' ' ' PHE . 25.7 t -63.99 -39.17 84.47 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 O-C-N 121.384 -0.822 . . . . 0.0 109.928 -179.404 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.519 ' CB ' ' HB3' ' B' ' 6' ' ' ALA . . . -55.03 -39.76 69.48 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.122 -0.986 . . . . 0.0 109.489 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.462 HD11 ' HE2' ' A' ' 74' ' ' MET . 0.2 OUTLIER -58.28 -48.17 81.3 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.105 -0.997 . . . . 0.0 109.153 179.812 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.531 HG21 ' CE1' ' B' ' 88' ' ' PHE . 1.8 mp -51.6 -31.6 12.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.14 -0.975 . . . . 0.0 108.63 179.398 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -60.93 -58.3 9.03 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.404 -0.81 . . . . 0.0 109.681 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.548 ' CG2' ' HB3' ' B' ' 2' ' ' GLU . 53.9 t -47.18 -41.3 6.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.447 -0.783 . . . . 0.0 109.932 -179.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.567 ' CE2' ' HA ' ' A' ' 70' ' ' PHE . 19.0 t80 -61.04 -54.43 44.88 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.12 -0.988 . . . . 0.0 110.116 -179.216 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -69.45 -4.94 20.72 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.123 -0.986 . . . . 0.0 109.859 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -91.05 -41.78 10.88 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.105 -0.997 . . . . 0.0 109.706 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.497 ' CE2' ' CD2' ' A' ' 35' ' ' LEU . 23.4 m-85 -78.4 -54.97 5.61 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.287 -0.883 . . . . 0.0 110.039 -179.536 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.464 ' O ' ' HA ' ' A' ' 24' ' ' LYS . 3.2 t -86.95 19.79 2.89 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.12 -0.987 . . . . 0.0 109.871 -179.645 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -123.79 29.84 5.04 Favored Glycine 0 N--CA 1.488 2.105 0 N-CA-C 109.208 -1.557 . . . . 0.0 109.208 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.413 ' HG3' ' N ' ' A' ' 21' ' ' GLU . 1.3 ptt85 -157.29 -31.9 0.08 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.284 -1.127 . . . . 0.0 110.254 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.413 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 2.0 pt-20 -101.64 -99.38 0.27 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.978 -1.077 . . . . 0.0 110.058 -179.634 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.445 ' O ' ' O ' ' A' ' 23' ' ' ASP . . . -68.55 -176.04 11.1 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.924 -1.271 . . . . 0.0 109.924 -179.611 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.445 ' O ' ' O ' ' A' ' 22' ' ' GLY . 0.8 OUTLIER -51.61 -177.19 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.302 -1.116 . . . . 0.0 109.385 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.497 ' O ' ' HB3' ' A' ' 25' ' ' HIS . 10.3 mttm -111.82 -177.4 3.17 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.251 -0.906 . . . . 0.0 109.358 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.6 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 12.4 t60 64.08 6.33 2.83 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.45 -0.781 . . . . 0.0 110.293 179.463 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -150.33 146.57 26.82 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.619 -1.301 . . . . 0.0 109.983 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.45 HD13 ' HB2' ' A' ' 18' ' ' SER . 1.3 tp -128.38 -154.16 0.62 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.329 -0.857 . . . . 0.0 108.964 179.412 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.471 ' HG2' ' O ' ' A' ' 66' ' ' GLY . 8.5 mtpt -146.43 160.91 41.46 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.268 -0.895 . . . . 0.0 109.541 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.5 ' O ' ' CD2' ' A' ' 60' ' ' LEU . 6.2 mtpp -76.7 -18.85 58.28 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.275 -0.89 . . . . 0.0 109.092 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.6 t -80.6 -45.29 17.56 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.397 -0.814 . . . . 0.0 109.014 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.478 ' O ' ' HB2' ' A' ' 35' ' ' LEU . 0.8 OUTLIER -78.46 -20.75 50.25 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.116 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.577 HD11 ' CD2' ' A' ' 73' ' ' PHE . 2.7 tp -78.26 -44.14 26.29 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 178.424 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.553 ' HB2' ' CD2' ' A' ' 60' ' ' LEU . 0.1 OUTLIER -61.57 -43.21 99.27 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 178.32 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.411 ' O ' ' HB2' ' A' ' 38' ' ' ASN . 0.3 OUTLIER -68.61 -33.23 73.67 Favored 'General case' 0 C--N 1.296 -1.748 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 179.644 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.497 ' CD2' ' CE2' ' A' ' 17' ' ' TYR . 0.1 OUTLIER -58.57 -40.1 82.17 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 179.416 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.525 ' O ' ' HB3' ' A' ' 40' ' ' LEU . 0.5 OUTLIER -81.22 -59.15 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.419 -0.801 . . . . 0.0 110.429 -179.892 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -61.25 -3.78 0.99 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.229 -0.92 . . . . 0.0 111.597 -178.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.411 ' HB2' ' O ' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -111.57 -56.46 2.38 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.614 -1.304 . . . . 0.0 110.161 -179.543 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.504 ' CB ' ' HB3' ' B' ' 3' ' ' LEU . 0.8 OUTLIER -99.1 23.88 8.52 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.156 -0.965 . . . . 0.0 110.606 -178.898 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.534 ' CD1' ' HG2' ' B' ' 7' ' ' MET . 1.0 OUTLIER -141.74 -50.72 0.41 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.795 -1.191 . . . . 0.0 109.862 179.427 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -46.64 -22.52 0.3 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.251 -0.906 . . . . 0.0 110.125 -179.908 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.453 ' C ' ' O ' ' A' ' 41' ' ' SER . 0.3 OUTLIER -37.16 -32.28 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.487 -0.758 . . . . 0.0 110.301 -179.698 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.574 ' O ' ' CG ' ' A' ' 43' ' ' PHE . 15.6 p90 -135.84 116.94 14.37 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.012 -1.055 . . . . 0.0 109.531 179.659 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.493 HD11 ' O ' ' A' ' 43' ' ' PHE . 5.2 tp 173.19 -79.33 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.559 -0.713 . . . . 0.0 109.346 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 44' ' ' LEU . 5.0 mt-10 42.23 26.22 0.05 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.114 -0.991 . . . . 0.0 110.013 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 44' ' ' LEU . 1.7 mt-10 -143.25 -82.54 0.18 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.05 -1.031 . . . . 0.0 109.873 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.467 HD12 HD21 ' A' ' 44' ' ' LEU . 7.3 mt 58.62 105.64 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.18 -0.95 . . . . 0.0 109.265 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.556 ' HB2' ' CD2' ' A' ' 85' ' ' HIS . 8.4 tptp -106.62 -20.09 13.46 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.258 -0.901 . . . . 0.0 109.358 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.48 ' HB3' ' HB ' ' A' ' 52' ' ' VAL . 8.0 mm-40 -83.3 69.86 10.04 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.169 -0.957 . . . . 0.0 108.963 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.546 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 49.2 tt0 -49.04 -22.56 0.92 Allowed 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.21 -0.932 . . . . 0.0 109.74 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.2 -42.25 21.08 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.057 -1.027 . . . . 0.0 110.575 -179.396 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.48 ' HB ' ' HB3' ' A' ' 49' ' ' GLU . 54.7 t -70.92 -40.38 76.34 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.058 -1.026 . . . . 0.0 110.122 -179.12 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.474 ' O ' ' HB2' ' A' ' 57' ' ' MET . 36.5 t -80.72 -28.62 11.52 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 O-C-N 121.089 -1.007 . . . . 0.0 109.727 -179.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.546 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 28.8 t70 -81.76 -21.55 37.75 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.036 -1.04 . . . . 0.0 108.791 179.528 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.427 ' HD3' ' C ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -75.42 -44.71 43.1 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.239 -0.913 . . . . 0.0 109.165 179.827 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.575 HG11 ' CZ ' ' A' ' 76' ' ' PHE . 2.2 m -80.31 -35.31 15.4 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 O-C-N 121.013 -1.054 . . . . 0.0 108.638 179.27 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.474 ' HB2' ' O ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -72.39 -24.87 61.32 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.432 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.538 ' CG ' ' O ' ' A' ' 54' ' ' ASP . 1.2 mm-40 -74.2 -51.38 15.65 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 119.456 -0.898 . . . . 0.0 109.01 179.507 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.9 m -65.53 -24.17 67.05 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.553 ' CD2' ' HB2' ' A' ' 33' ' ' LYS . 10.9 mt -70.05 -52.97 19.66 Favored 'General case' 0 C--N 1.304 -1.404 0 CA-C-O 121.478 0.656 . . . . 0.0 109.501 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.34 -11.44 59.9 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.523 -0.736 . . . . 0.0 109.739 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.452 ' O ' ' OD1' ' A' ' 63' ' ' ASP . 38.2 tt0 -72.78 -36.22 67.57 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.234 -0.916 . . . . 0.0 109.821 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.48 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 68.6 m-20 -156.93 55.36 0.53 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.219 -0.925 . . . . 0.0 109.582 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 63' ' ' ASP . . . -40.24 -27.82 0.15 Allowed Glycine 0 N--CA 1.494 2.519 0 N-CA-C 109.973 -1.251 . . . . 0.0 109.973 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 63' ' ' ASP . 11.8 t0 -91.87 40.91 1.05 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.147 -1.208 . . . . 0.0 109.444 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.471 ' O ' ' HG2' ' A' ' 28' ' ' LYS . . . -108.06 171.95 16.63 Favored Glycine 0 N--CA 1.487 2.085 0 N-CA-C 109.606 -1.398 . . . . 0.0 109.606 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -106.57 128.63 54.28 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.13 -1.218 . . . . 0.0 109.712 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 87.1 m -105.65 171.49 7.3 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.276 -0.89 . . . . 0.0 109.575 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' A' ' 69' ' ' ASP . 1.5 m-20 -108.53 -177.33 3.29 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.259 -0.901 . . . . 0.0 109.428 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.58 ' CE1' ' HG3' ' A' ' 71' ' ' GLN . 6.6 p90 -79.56 -35.0 40.46 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.124 -0.985 . . . . 0.0 109.214 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.58 ' HG3' ' CE1' ' A' ' 70' ' ' PHE . 1.1 mt-30 -78.58 -26.48 45.52 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.247 -0.908 . . . . 0.0 109.068 179.444 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.482 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -78.13 -50.91 11.09 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.313 -0.867 . . . . 0.0 108.979 179.786 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.577 ' CD2' HD11 ' A' ' 32' ' ' LEU . 5.2 t80 -62.17 -22.15 65.65 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.386 -0.821 . . . . 0.0 108.985 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.497 ' HB2' ' O ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -80.25 -55.45 4.9 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.301 -0.874 . . . . 0.0 109.801 -179.794 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.501 ' O ' ' CG ' ' A' ' 79' ' ' MET . . . -66.26 -16.56 64.12 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.34 -0.85 . . . . 0.0 109.087 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.575 ' CZ ' HG11 ' A' ' 56' ' ' VAL . 0.1 OUTLIER -77.17 -39.25 49.69 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.332 -0.855 . . . . 0.0 109.246 179.514 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.466 ' O ' ' OG1' ' A' ' 81' ' ' THR . 84.1 t -70.67 -27.61 31.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.389 -0.819 . . . . 0.0 109.847 -179.64 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.455 ' O ' ' OG1' ' A' ' 82' ' ' THR . 77.5 p -77.05 -42.63 37.61 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.122 -0.987 . . . . 0.0 110.515 -179.295 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.501 ' CG ' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -57.73 -46.05 84.95 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.926 -1.109 . . . . 0.0 110.201 -179.555 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.536 ' CG1' HG22 ' A' ' 56' ' ' VAL . 25.5 m -70.45 -45.08 76.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 O-C-N 121.183 -0.948 . . . . 0.0 110.623 -179.007 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.466 ' OG1' ' O ' ' A' ' 77' ' ' VAL . 1.9 m -66.56 -8.61 28.0 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.801 -1.187 . . . . 0.0 109.624 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.506 ' CG2' ' HG3' ' B' ' 74' ' ' MET . 61.0 p -129.73 13.55 5.88 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.248 -0.907 . . . . 0.0 109.361 179.661 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.525 ' O ' ' CB ' ' A' ' 84' ' ' CYS . . . -44.89 -63.69 0.86 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.265 -0.897 . . . . 0.0 109.235 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.525 ' CB ' ' O ' ' A' ' 83' ' ' ALA . 0.7 OUTLIER 161.76 -170.53 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.403 -0.811 . . . . 0.0 109.728 179.746 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.556 ' CD2' ' HB2' ' A' ' 48' ' ' LYS . 0.1 OUTLIER 66.54 -83.8 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.478 -0.764 . . . . 0.0 109.358 -179.563 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.402 ' OE1' ' HB2' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -68.68 86.34 0.32 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.03 -1.043 . . . . 0.0 108.701 179.451 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.647 ' CZ ' ' CE2' ' A' ' 88' ' ' PHE . 9.5 t80 -114.98 101.38 8.97 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.342 -0.849 . . . . 0.0 109.486 -179.455 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.647 ' CE2' ' CZ ' ' A' ' 87' ' ' PHE . 3.7 m-85 41.75 67.1 0.6 Allowed 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.441 -0.787 . . . . 0.0 109.494 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.468 ' O ' ' HB3' ' A' ' 90' ' ' HIS . 1.7 tp10 -100.81 31.29 3.61 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.322 -0.861 . . . . 0.0 109.935 -179.505 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.607 ' CG ' ' O ' ' A' ' 90' ' ' HIS . 20.5 t60 61.78 11.24 3.91 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.272 -0.892 . . . . 0.0 109.712 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 . . . . . 0 N--CA 1.49 1.568 0 O-C-N 120.893 -1.13 . . . . 0.0 109.504 179.693 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.406 ' O ' ' HB2' ' B' ' 5' ' ' LYS . 89.1 p -117.99 -160.96 0.8 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.226 -0.921 . . . . 0.0 109.505 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.548 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 1.0 OUTLIER -77.95 -67.26 0.75 Allowed 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.3 -0.875 . . . . 0.0 109.637 -179.863 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.504 ' HB3' ' CB ' ' A' ' 39' ' ' GLU . 15.8 tp -56.84 -56.84 16.47 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.272 -0.893 . . . . 0.0 109.851 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.532 ' O ' ' CG2' ' B' ' 8' ' ' VAL . 5.3 tm-20 -43.76 -33.54 1.3 Allowed 'General case' 0 C--N 1.297 -1.706 0 O-C-N 121.394 -0.816 . . . . 0.0 110.119 -179.125 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' B' ' 1' ' ' SER . 0.0 OUTLIER -80.7 -39.99 26.17 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.986 -1.071 . . . . 0.0 110.203 -179.727 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . 0.519 ' HB3' ' CB ' ' A' ' 9' ' ' ALA . . . -79.78 -65.66 0.97 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.158 -0.964 . . . . 0.0 110.02 -179.396 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' MET . . . . . 0.534 ' HG2' ' CD1' ' A' ' 40' ' ' LEU . 8.1 tpt -45.56 -52.09 10.98 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.403 -0.811 . . . . 0.0 109.826 -179.691 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . 0.554 HG23 ' CE1' ' A' ' 43' ' ' PHE . 25.8 t -64.01 -39.13 84.33 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.548 0 O-C-N 121.349 -0.844 . . . . 0.0 109.915 -179.442 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . 0.486 ' CB ' ' HB3' ' A' ' 6' ' ' ALA . . . -55.1 -39.75 69.68 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.154 -0.966 . . . . 0.0 109.43 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.457 HD11 ' HE2' ' B' ' 74' ' ' MET . 0.2 OUTLIER -58.22 -48.25 80.96 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.143 -0.973 . . . . 0.0 109.108 179.809 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.504 HG21 ' CE1' ' A' ' 88' ' ' PHE . 1.8 mp -51.57 -31.75 12.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.215 -0.928 . . . . 0.0 108.544 179.419 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -60.84 -58.34 8.87 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.529 -0.732 . . . . 0.0 109.739 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . 0.534 ' CG2' ' HB3' ' A' ' 2' ' ' GLU . 53.6 t -47.1 -41.33 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.383 -0.823 . . . . 0.0 109.955 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.57 ' CE2' ' HA ' ' B' ' 70' ' ' PHE . 18.7 t80 -60.94 -54.49 44.33 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.157 -0.965 . . . . 0.0 110.147 -179.246 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -69.5 -4.84 20.53 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.182 -0.949 . . . . 0.0 109.959 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -91.08 -41.69 10.91 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.11 -0.993 . . . . 0.0 109.67 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.487 ' CE2' ' CD2' ' B' ' 35' ' ' LEU . 23.6 m-85 -78.48 -54.97 5.59 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.288 -0.882 . . . . 0.0 110.027 -179.504 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.462 ' O ' ' HA ' ' B' ' 24' ' ' LYS . 3.2 t -87.04 19.91 2.89 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.143 -0.973 . . . . 0.0 109.826 -179.631 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -123.78 29.74 5.07 Favored Glycine 0 N--CA 1.486 2.011 0 N-CA-C 109.281 -1.528 . . . . 0.0 109.281 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.422 ' HG3' ' N ' ' B' ' 21' ' ' GLU . 1.3 ptt85 -157.23 -31.93 0.08 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.285 -1.126 . . . . 0.0 110.3 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.422 ' N ' ' HG3' ' B' ' 20' ' ' ARG . 2.0 pt-20 -101.67 -99.41 0.27 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.044 -1.035 . . . . 0.0 110.081 -179.619 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . 0.439 ' O ' ' O ' ' B' ' 23' ' ' ASP . . . -68.57 -175.93 10.97 Favored Glycine 0 N--CA 1.494 2.527 0 N-CA-C 109.863 -1.295 . . . . 0.0 109.863 -179.615 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.439 ' O ' ' O ' ' B' ' 22' ' ' GLY . 0.8 OUTLIER -51.72 -177.21 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.446 -1.032 . . . . 0.0 109.331 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.501 ' O ' ' HB3' ' B' ' 25' ' ' HIS . 10.4 mttm -111.81 -177.32 3.15 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.176 -0.952 . . . . 0.0 109.324 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . 0.602 ' CG ' ' O ' ' B' ' 25' ' ' HIS . 12.5 t60 63.94 6.5 2.82 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.418 -0.801 . . . . 0.0 110.283 179.452 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -150.47 146.5 26.67 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.648 -1.283 . . . . 0.0 109.957 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.454 HD13 ' HB2' ' B' ' 18' ' ' SER . 1.4 tp -128.29 -154.1 0.61 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.418 -0.801 . . . . 0.0 109.022 179.43 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.472 ' HG2' ' O ' ' B' ' 66' ' ' GLY . 8.6 mtpt -146.5 160.93 41.48 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.239 -0.913 . . . . 0.0 109.574 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.499 ' O ' ' CD2' ' B' ' 60' ' ' LEU . 6.2 mtpp -76.76 -18.83 58.22 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.322 -0.861 . . . . 0.0 109.06 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.6 t -80.59 -45.39 17.42 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.365 -0.834 . . . . 0.0 108.986 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.474 ' O ' ' HB2' ' B' ' 35' ' ' LEU . 0.8 OUTLIER -78.42 -20.71 50.51 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 179.103 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.578 HD11 ' CD2' ' B' ' 73' ' ' PHE . 2.6 tp -78.33 -44.06 26.18 Favored 'General case' 0 N--CA 1.487 1.384 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 178.428 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.548 ' HB2' ' CD2' ' B' ' 60' ' ' LEU . 0.1 OUTLIER -61.67 -43.08 99.54 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 178.314 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.414 ' O ' ' HB2' ' B' ' 38' ' ' ASN . 0.3 OUTLIER -68.66 -33.31 73.77 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 179.585 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.487 ' CD2' ' CE2' ' B' ' 17' ' ' TYR . 0.1 OUTLIER -58.37 -40.19 81.62 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 179.304 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.523 ' O ' ' HB3' ' B' ' 40' ' ' LEU . 0.5 OUTLIER -81.26 -59.24 3.0 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.445 -0.784 . . . . 0.0 110.351 -179.848 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -61.12 -3.81 0.94 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.183 -0.948 . . . . 0.0 111.695 -178.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.414 ' HB2' ' O ' ' B' ' 34' ' ' GLU . 0.2 OUTLIER -111.56 -56.5 2.37 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.666 -1.271 . . . . 0.0 110.182 -179.588 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.508 ' CB ' ' HB3' ' A' ' 3' ' ' LEU . 0.8 OUTLIER -99.02 23.83 8.52 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.093 -1.004 . . . . 0.0 110.659 -178.917 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.523 ' HB3' ' O ' ' B' ' 36' ' ' ILE . 1.1 tt -141.72 -50.7 0.41 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.882 -1.136 . . . . 0.0 109.904 179.418 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.461 ' O ' ' C ' ' B' ' 42' ' ' HIS . 0.1 OUTLIER -46.53 -22.62 0.29 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.333 -0.854 . . . . 0.0 110.161 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . 0.461 ' C ' ' O ' ' B' ' 41' ' ' SER . 0.3 OUTLIER -37.12 -32.26 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.508 -0.745 . . . . 0.0 110.366 -179.672 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . 0.574 ' O ' ' CG ' ' B' ' 43' ' ' PHE . 15.5 p90 -135.8 116.92 14.4 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.036 -1.04 . . . . 0.0 109.535 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.489 HD11 ' O ' ' B' ' 43' ' ' PHE . 5.1 tp 173.18 -79.29 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.451 -0.78 . . . . 0.0 109.477 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' B' ' 44' ' ' LEU . 5.0 mt-10 42.13 26.32 0.05 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.07 -1.019 . . . . 0.0 110.03 179.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' B' ' 44' ' ' LEU . 1.7 mt-10 -143.3 -82.59 0.17 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.9 -1.125 . . . . 0.0 109.841 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.465 HD12 HD21 ' B' ' 44' ' ' LEU . 7.3 mt 58.63 105.67 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.165 -0.959 . . . . 0.0 109.226 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.557 ' HB2' ' CD2' ' B' ' 85' ' ' HIS . 8.4 tptp -106.67 -20.14 13.45 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.215 -0.928 . . . . 0.0 109.412 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.476 ' HB3' ' HB ' ' B' ' 52' ' ' VAL . 8.0 mm-40 -83.14 69.77 9.95 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.193 -0.942 . . . . 0.0 108.989 179.563 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . 0.555 ' O ' ' CB ' ' B' ' 54' ' ' ASP . 49.2 tt0 -49.09 -22.54 0.95 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.314 -0.866 . . . . 0.0 109.718 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.17 -42.2 21.22 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.118 -0.989 . . . . 0.0 110.605 -179.426 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.476 ' HB ' ' HB3' ' B' ' 49' ' ' GLU . 54.7 t -70.96 -40.35 76.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 120.981 -1.074 . . . . 0.0 110.159 -179.134 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.473 ' O ' ' HB2' ' B' ' 57' ' ' MET . 36.6 t -80.61 -28.67 11.66 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.509 0 O-C-N 121.096 -1.003 . . . . 0.0 109.755 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . 0.555 ' CB ' ' O ' ' B' ' 50' ' ' GLN . 28.8 t70 -81.78 -21.57 37.67 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 120.984 -1.073 . . . . 0.0 108.745 179.559 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.434 ' HD3' ' C ' ' B' ' 55' ' ' LYS . 0.0 OUTLIER -75.37 -44.7 43.59 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.228 -0.92 . . . . 0.0 109.221 179.82 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.581 ' HA ' ' CZ ' ' B' ' 76' ' ' PHE . 2.2 m -80.3 -35.45 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 121.092 -1.005 . . . . 0.0 108.582 179.33 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.473 ' HB2' ' O ' ' B' ' 53' ' ' VAL . 0.0 OUTLIER -72.28 -24.98 61.42 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 179.452 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . 0.526 ' CG ' ' O ' ' B' ' 54' ' ' ASP . 1.2 mm-40 -74.08 -51.57 15.33 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.241 -0.912 . . . . 0.0 108.929 179.579 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 4.9 m -65.44 -24.21 67.12 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 179.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.548 ' CD2' ' HB2' ' B' ' 33' ' ' LYS . 10.8 mt -70.02 -52.9 20.33 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-O 121.474 0.654 . . . . 0.0 109.5 179.636 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.39 -11.51 59.91 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.529 -0.732 . . . . 0.0 109.654 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.446 ' O ' ' OD1' ' B' ' 63' ' ' ASP . 38.2 tt0 -72.78 -36.23 67.59 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.29 -0.881 . . . . 0.0 109.732 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.481 ' O ' ' HD3' ' B' ' 29' ' ' LYS . 68.6 m-20 -156.88 55.38 0.53 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.215 -0.928 . . . . 0.0 109.616 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' B' ' 63' ' ' ASP . . . -40.34 -27.75 0.16 Allowed Glycine 0 N--CA 1.493 2.495 0 N-CA-C 109.928 -1.269 . . . . 0.0 109.928 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' B' ' 63' ' ' ASP . 11.9 t0 -91.82 40.84 1.05 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.205 -1.174 . . . . 0.0 109.444 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.472 ' O ' ' HG2' ' B' ' 28' ' ' LYS . . . -108.09 171.9 16.56 Favored Glycine 0 N--CA 1.488 2.146 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -106.51 128.59 54.22 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.175 -1.191 . . . . 0.0 109.739 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 86.8 m -105.76 171.49 7.31 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.187 -0.946 . . . . 0.0 109.501 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' B' ' 69' ' ' ASP . 1.5 m-20 -108.54 -177.37 3.3 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.194 -0.941 . . . . 0.0 109.457 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.579 ' CE1' ' HG3' ' B' ' 71' ' ' GLN . 6.5 p90 -79.64 -34.93 40.1 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.017 -1.052 . . . . 0.0 109.195 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . 0.579 ' HG3' ' CE1' ' B' ' 70' ' ' PHE . 1.1 mt-30 -78.63 -26.4 45.24 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.281 -0.887 . . . . 0.0 109.07 179.439 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.485 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 0.2 OUTLIER -78.19 -50.94 11.0 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.35 -0.844 . . . . 0.0 108.893 179.817 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.578 ' CD2' HD11 ' B' ' 32' ' ' LEU . 5.3 t80 -62.15 -22.2 65.67 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.305 -0.872 . . . . 0.0 108.886 179.439 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' MET . . . . . 0.506 ' HG3' ' CG2' ' A' ' 82' ' ' THR . 0.0 OUTLIER -80.27 -55.5 4.87 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.294 -0.879 . . . . 0.0 109.802 -179.723 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.499 ' O ' ' CG ' ' B' ' 79' ' ' MET . . . -66.26 -16.45 64.03 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.305 -0.872 . . . . 0.0 109.171 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.581 ' CZ ' ' HA ' ' B' ' 56' ' ' VAL . 0.1 OUTLIER -77.28 -39.18 49.02 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.386 -0.821 . . . . 0.0 109.262 179.495 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.469 ' O ' ' OG1' ' B' ' 81' ' ' THR . 84.3 t -70.64 -27.66 31.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.325 -0.859 . . . . 0.0 109.863 -179.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.454 ' O ' ' OG1' ' B' ' 82' ' ' THR . 77.1 p -76.97 -42.69 37.97 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.989 -1.069 . . . . 0.0 110.596 -179.307 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' MET . . . . . 0.499 ' CG ' ' O ' ' B' ' 75' ' ' ALA . 0.0 OUTLIER -57.76 -46.09 85.02 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.876 -1.14 . . . . 0.0 110.115 -179.507 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . 0.532 ' CG1' HG22 ' B' ' 56' ' ' VAL . 25.3 m -70.4 -44.97 76.85 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 O-C-N 121.222 -0.924 . . . . 0.0 110.675 -179.003 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.472 HG23 ' HG3' ' A' ' 7' ' ' MET . 1.9 m -66.63 -8.65 28.81 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.839 -1.163 . . . . 0.0 109.521 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.457 ' CG2' ' HG3' ' A' ' 74' ' ' MET . 59.9 p -129.74 13.6 5.88 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.142 -0.974 . . . . 0.0 109.326 179.699 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . 0.533 ' O ' ' CB ' ' B' ' 84' ' ' CYS . . . -44.9 -63.67 0.87 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.3 -0.875 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . 0.533 ' CB ' ' O ' ' B' ' 83' ' ' ALA . 0.7 OUTLIER 161.82 -170.47 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.321 -0.862 . . . . 0.0 109.726 179.735 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.557 ' CD2' ' HB2' ' B' ' 48' ' ' LYS . 0.1 OUTLIER 66.5 -83.79 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.544 -0.723 . . . . 0.0 109.387 -179.633 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.7 86.37 0.32 Allowed 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.968 -1.082 . . . . 0.0 108.7 179.414 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . 0.646 ' CZ ' ' CE2' ' B' ' 88' ' ' PHE . 9.4 t80 -114.95 101.38 8.97 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.315 -0.866 . . . . 0.0 109.469 -179.476 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.646 ' CE2' ' CZ ' ' B' ' 87' ' ' PHE . 3.6 m-85 41.84 67.03 0.61 Allowed 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.456 -0.778 . . . . 0.0 109.472 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.471 ' O ' ' HB3' ' B' ' 90' ' ' HIS . 1.7 tp10 -100.78 31.34 3.58 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.309 -0.869 . . . . 0.0 109.896 -179.509 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . 0.614 ' CG ' ' O ' ' B' ' 90' ' ' HIS . 20.6 t60 61.75 11.17 3.84 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.133 -0.979 . . . . 0.0 109.676 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 . . . . . 0 N--CA 1.49 1.54 0 O-C-N 120.861 -1.15 . . . . 0.0 109.579 179.719 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 2.5 mmt . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.7 p -78.8 -177.26 5.37 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.17 -0.956 . . . . 0.0 109.331 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.521 ' HB2' ' CG2' ' B' ' 13' ' ' VAL . 32.3 mm-40 -69.26 -38.72 78.56 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.266 -0.896 . . . . 0.0 109.677 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.508 ' CD1' HD22 ' B' ' 10' ' ' LEU . 7.6 tp -80.15 -50.05 10.82 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.337 -0.852 . . . . 0.0 109.979 -179.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.551 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 61.6 tt0 -57.37 -41.97 81.2 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.04 -1.038 . . . . 0.0 109.938 -179.395 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.451 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 8.6 tptt -78.39 -38.7 41.08 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.846 -1.159 . . . . 0.0 109.735 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.487 ' CB ' ' HB1' ' B' ' 9' ' ' ALA . . . -80.12 -70.44 0.52 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.167 -0.958 . . . . 0.0 109.727 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.465 ' HG2' HD13 ' B' ' 40' ' ' LEU . 8.3 tpt -40.58 -48.31 2.85 Favored 'General case' 0 N--CA 1.491 1.587 0 CA-C-O 121.664 0.745 . . . . 0.0 109.914 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.551 ' CG2' ' O ' ' A' ' 4' ' ' GLU . 21.2 t -70.55 -38.41 73.42 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.587 0 O-C-N 121.446 -0.784 . . . . 0.0 109.855 -179.257 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.508 ' HB1' ' CB ' ' B' ' 6' ' ' ALA . . . -53.24 -44.36 68.05 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.003 -1.061 . . . . 0.0 108.874 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.531 HD22 ' CD1' ' B' ' 3' ' ' LEU . 0.3 OUTLIER -54.31 -52.74 60.56 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 179.219 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.486 HG21 ' CE1' ' B' ' 88' ' ' PHE . 31.9 mm -49.7 -34.18 8.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 179.099 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -61.99 -45.47 93.5 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.549 -0.719 . . . . 0.0 109.3 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.51 ' CG2' ' HB2' ' B' ' 2' ' ' GLU . 53.3 t -46.84 -37.3 3.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.157 -0.964 . . . . 0.0 109.108 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.568 ' CE2' ' HA ' ' A' ' 70' ' ' PHE . 2.1 t80 -62.67 -45.5 92.52 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.119 -0.988 . . . . 0.0 109.321 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 28.3 t60 -67.95 -7.1 25.82 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.304 -0.872 . . . . 0.0 109.559 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -93.03 -58.65 2.26 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.228 -0.92 . . . . 0.0 109.638 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -74.43 -60.88 2.07 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.179 -0.951 . . . . 0.0 109.583 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.8 t -68.88 -7.44 34.75 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.211 -0.931 . . . . 0.0 109.543 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.86 6.48 66.1 Favored Glycine 0 N--CA 1.489 2.179 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -75.85 -100.36 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.233 -1.157 . . . . 0.0 109.449 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -162.08 -169.1 2.08 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.92 -1.112 . . . . 0.0 109.466 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.44 -90.39 0.23 Allowed Glycine 0 N--CA 1.489 2.222 0 N-CA-C 109.24 -1.544 . . . . 0.0 109.24 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.534 ' HB2' ' CG ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -105.81 97.63 7.43 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.233 -1.157 . . . . 0.0 109.316 179.728 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.454 ' O ' ' CB ' ' A' ' 25' ' ' HIS . 30.0 tttm -102.51 153.33 20.17 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.362 -0.836 . . . . 0.0 109.675 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.505 ' NE2' ' CE2' ' A' ' 70' ' ' PHE . 13.1 t-160 74.16 4.59 4.58 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.361 -0.837 . . . . 0.0 109.55 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.534 ' CG ' ' HB2' ' A' ' 23' ' ' ASP . 9.4 ptmt -138.19 142.19 40.03 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.181 -0.949 . . . . 0.0 109.477 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.564 ' CD2' ' CZ ' ' A' ' 14' ' ' PHE . 0.4 OUTLIER -104.82 -165.54 1.14 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.248 -0.907 . . . . 0.0 109.479 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.522 ' CG ' ' O ' ' A' ' 66' ' ' GLY . 1.6 tttt -149.67 164.17 35.93 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.242 -0.911 . . . . 0.0 109.154 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.496 ' HB2' ' HA2' ' A' ' 64' ' ' GLY . 3.6 mttp -76.65 -27.81 55.78 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.178 -0.951 . . . . 0.0 109.01 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.2 p -75.18 -38.07 60.97 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.446 -0.784 . . . . 0.0 109.319 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.47 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 16.7 tt0 -85.86 -19.32 30.77 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.136 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.501 ' O ' HG13 ' A' ' 36' ' ' ILE . 11.1 tp -79.99 -31.82 39.78 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 107.416 -1.327 . . . . 0.0 107.416 178.522 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.453 ' HG2' HD11 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -65.87 -43.53 88.07 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 179.076 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.528 ' HG3' ' N ' ' A' ' 35' ' ' LEU . 6.1 pt-20 -70.32 -41.95 72.6 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 179.144 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.528 ' N ' ' HG3' ' A' ' 34' ' ' GLU . 0.1 OUTLIER -45.44 -43.22 11.21 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 179.524 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -79.43 -57.71 4.85 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.129 -0.982 . . . . 0.0 109.976 -179.816 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.467 ' O ' ' HB2' ' A' ' 41' ' ' SER . 15.9 t-20 -75.54 -61.26 1.97 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.318 -0.864 . . . . 0.0 110.474 -178.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.49 ' HB3' ' O ' ' A' ' 34' ' ' GLU . 2.1 t30 -50.91 -28.7 10.23 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.187 -0.946 . . . . 0.0 110.297 -178.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.498 ' HG2' ' HB3' ' B' ' 3' ' ' LEU . 0.0 OUTLIER -101.83 -70.89 0.73 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.859 -1.151 . . . . 0.0 110.188 -179.634 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.479 HD13 ' HG2' ' B' ' 7' ' ' MET . 84.0 mt -71.56 -99.5 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.101 -1.0 . . . . 0.0 110.025 -179.248 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.467 ' HB2' ' O ' ' A' ' 37' ' ' ASN . 7.1 t 57.98 16.25 3.62 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.888 -1.132 . . . . 0.0 109.656 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -85.89 -60.48 2.0 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.168 -0.958 . . . . 0.0 109.399 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.448 ' O ' ' O ' ' A' ' 44' ' ' LEU . 26.1 m-85 -62.35 -108.79 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.195 -0.941 . . . . 0.0 108.893 179.512 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.448 ' O ' ' O ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER 39.85 92.73 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.023 -1.048 . . . . 0.0 110.114 179.536 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -114.15 -80.04 0.59 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.267 -0.896 . . . . 0.0 108.918 179.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.483 ' O ' ' HG3' ' A' ' 46' ' ' GLU . 1.8 tt0 -110.13 -17.77 13.48 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.328 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.475 ' HB ' ' O ' ' A' ' 46' ' ' GLU . 16.1 mt 74.53 99.96 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.531 -0.731 . . . . 0.0 109.861 179.511 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.588 ' HB2' ' CD2' ' A' ' 85' ' ' HIS . 2.6 tttp -89.38 -44.41 10.21 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.328 -0.857 . . . . 0.0 108.801 179.423 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.536 ' HB3' ' CG2' ' A' ' 52' ' ' VAL . 6.8 mm-40 -83.67 69.32 10.13 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 179.378 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.49 ' O ' ' HB2' ' A' ' 54' ' ' ASP . 0.8 OUTLIER -51.04 -23.79 3.31 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.238 -0.914 . . . . 0.0 109.553 -179.673 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.462 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 2.5 tt0 -80.24 -36.32 34.83 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.133 -0.979 . . . . 0.0 110.121 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.536 ' CG2' ' HB3' ' A' ' 49' ' ' GLU . 33.4 t -72.05 -42.27 67.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.052 -1.03 . . . . 0.0 109.738 -179.621 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 86.6 t -78.9 -33.84 16.53 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.169 -0.957 . . . . 0.0 109.635 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.531 ' O ' ' CG ' ' A' ' 58' ' ' GLU . 49.3 m-20 -78.84 -20.67 49.07 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.03 -1.044 . . . . 0.0 108.68 179.514 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.462 ' HB2' ' O ' ' A' ' 51' ' ' GLU . 23.9 tptp -80.53 -48.2 13.11 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.33 -0.856 . . . . 0.0 109.776 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.552 HG11 ' CE2' ' A' ' 76' ' ' PHE . 6.1 m -74.87 -37.89 42.75 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 O-C-N 121.015 -1.053 . . . . 0.0 109.391 -179.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 51.8 tpp -73.02 -23.13 60.57 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.465 -0.772 . . . . 0.0 109.288 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.531 ' CG ' ' O ' ' A' ' 54' ' ' ASP . 22.7 mt-10 -77.76 -47.1 19.81 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.927 -1.108 . . . . 0.0 108.885 179.448 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.2 m -66.57 -21.27 66.14 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 178.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.459 HD21 ' O ' ' A' ' 29' ' ' LYS . 12.4 mt -74.77 -58.84 3.03 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-O 121.627 0.727 . . . . 0.0 109.063 179.457 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.12 -4.83 46.46 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.544 -0.723 . . . . 0.0 109.527 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.45 ' CB ' ' O ' ' A' ' 58' ' ' GLU . 52.9 tt0 -80.41 -54.5 5.65 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.224 -0.922 . . . . 0.0 109.598 -179.72 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.486 ' O ' ' N ' ' A' ' 65' ' ' ASP . 1.1 t0 -128.03 47.59 2.39 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.434 -0.792 . . . . 0.0 109.965 -179.583 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.496 ' HA2' ' HB2' ' A' ' 29' ' ' LYS . . . -39.45 -29.26 0.13 Allowed Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.486 ' N ' ' O ' ' A' ' 63' ' ' ASP . 27.6 t70 -92.93 42.51 1.1 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.334 -1.098 . . . . 0.0 109.44 179.559 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.522 ' O ' ' CG ' ' A' ' 28' ' ' LYS . . . -120.4 175.29 15.93 Favored Glycine 0 N--CA 1.489 2.173 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -115.2 152.88 31.85 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.053 -1.263 . . . . 0.0 110.146 -179.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.92 -171.5 2.59 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.467 -0.771 . . . . 0.0 109.241 179.656 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -122.08 174.59 6.84 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.189 -0.944 . . . . 0.0 109.351 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.568 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 6.9 p90 -72.14 -32.14 66.64 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.293 -0.879 . . . . 0.0 109.272 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.502 ' HG3' ' N ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -80.09 -29.81 39.12 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.161 -0.962 . . . . 0.0 109.152 179.804 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.502 ' N ' ' HG3' ' A' ' 71' ' ' GLN . 0.6 OUTLIER -72.22 -58.54 3.33 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.275 -0.891 . . . . 0.0 108.665 179.491 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.406 ' CE1' ' HD2' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -57.55 -25.05 59.36 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 179.141 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.465 ' HE2' ' HB3' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -69.11 -54.74 13.44 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.591 -0.693 . . . . 0.0 109.531 -179.841 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.45 ' O ' ' HG3' ' A' ' 79' ' ' MET . . . -69.18 -16.08 63.55 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.331 -0.856 . . . . 0.0 109.096 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.552 ' CE2' HG11 ' A' ' 56' ' ' VAL . 1.4 m-85 -79.85 -37.81 34.15 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.408 -0.807 . . . . 0.0 109.225 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.479 ' O ' ' OG1' ' A' ' 81' ' ' THR . 69.6 t -72.8 -26.27 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.437 -0.79 . . . . 0.0 110.03 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 21.8 m -77.95 -49.88 13.27 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.215 -0.928 . . . . 0.0 110.572 -179.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.45 ' HG3' ' O ' ' A' ' 75' ' ' ALA . 0.5 OUTLIER -54.53 -46.64 73.6 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.011 -1.056 . . . . 0.0 110.545 -179.086 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 76' ' ' PHE . 3.3 m -63.01 -40.29 88.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.053 -1.029 . . . . 0.0 110.315 -179.111 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.479 ' OG1' ' O ' ' A' ' 77' ' ' VAL . 0.2 OUTLIER -69.42 -10.12 56.59 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.927 -1.108 . . . . 0.0 109.419 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -113.0 -0.11 14.87 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.228 -0.92 . . . . 0.0 109.653 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.406 ' HB3' ' HB ' ' A' ' 52' ' ' VAL . . . -87.09 30.0 0.79 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.172 -0.955 . . . . 0.0 109.629 179.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 5.5 m -127.62 -176.92 3.9 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.157 -0.964 . . . . 0.0 109.542 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.588 ' CD2' ' HB2' ' A' ' 48' ' ' LYS . 2.4 m80 -104.9 -44.5 4.8 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.121 -0.987 . . . . 0.0 109.709 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -103.15 81.24 1.93 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.202 -0.936 . . . . 0.0 109.631 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.493 ' O ' HG23 ' B' ' 11' ' ' ILE . 5.5 p90 -107.47 -6.75 16.87 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.158 -0.964 . . . . 0.0 109.669 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.527 ' CZ ' ' HB3' ' B' ' 14' ' ' PHE . 7.5 m-30 -97.09 -64.67 1.02 Allowed 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 179.283 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 178.3 -70.09 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.507 0 C-N-CA 119.969 -0.693 . . . . 0.0 109.751 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 8.8 p-80 -67.18 -164.38 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.296 -0.878 . . . . 0.0 109.776 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 117.965 -1.017 . . . . 0.0 109.504 -179.951 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 2.6 mmt . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 3.7 p -78.63 -177.22 5.25 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.221 -0.924 . . . . 0.0 109.372 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.51 ' HB2' ' CG2' ' A' ' 13' ' ' VAL . 32.5 mm-40 -69.32 -38.75 78.35 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.345 -0.847 . . . . 0.0 109.631 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.531 ' CD1' HD22 ' A' ' 10' ' ' LEU . 7.6 tp -80.09 -50.07 10.85 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.34 -0.85 . . . . 0.0 109.967 -179.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.549 ' O ' ' CG2' ' B' ' 8' ' ' VAL . 61.4 tt0 -57.35 -42.01 81.19 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.066 -1.021 . . . . 0.0 109.905 -179.42 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.447 ' O ' ' HB3' ' B' ' 9' ' ' ALA . 8.7 tptt -78.48 -38.46 40.9 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.77 -1.206 . . . . 0.0 109.763 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . 0.508 ' CB ' ' HB1' ' A' ' 9' ' ' ALA . . . -80.29 -70.46 0.52 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.31 -0.869 . . . . 0.0 109.684 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' MET . . . . . 0.479 ' HG2' HD13 ' A' ' 40' ' ' LEU . 8.2 tpt -40.56 -48.33 2.83 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 121.705 0.765 . . . . 0.0 109.891 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . 0.549 ' CG2' ' O ' ' B' ' 4' ' ' GLU . 21.0 t -70.47 -38.53 74.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.592 0 O-C-N 121.31 -0.869 . . . . 0.0 109.957 -179.369 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . 0.487 ' HB1' ' CB ' ' A' ' 6' ' ' ALA . . . -53.11 -44.34 67.57 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.968 -1.083 . . . . 0.0 108.927 179.591 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.508 HD22 ' CD1' ' A' ' 3' ' ' LEU . 0.3 OUTLIER -54.36 -52.8 60.49 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 179.209 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.493 HG23 ' O ' ' A' ' 87' ' ' PHE . 32.3 mm -49.61 -34.26 8.46 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 179.047 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -62.0 -45.35 94.01 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.398 -0.814 . . . . 0.0 109.335 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . 0.521 ' CG2' ' HB2' ' A' ' 2' ' ' GLU . 53.7 t -46.92 -37.35 3.65 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.223 -0.923 . . . . 0.0 109.009 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.568 ' CE2' ' HA ' ' B' ' 70' ' ' PHE . 2.1 t80 -62.53 -45.57 92.35 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.235 -0.916 . . . . 0.0 109.358 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 28.4 t60 -67.94 -7.22 26.7 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.249 -0.907 . . . . 0.0 109.568 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -92.88 -58.62 2.28 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.314 -0.866 . . . . 0.0 109.707 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -74.51 -60.86 2.08 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.274 -0.891 . . . . 0.0 109.53 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 3.8 t -68.81 -7.39 33.78 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.363 -0.836 . . . . 0.0 109.682 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.98 6.48 66.59 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.582 -1.407 . . . . 0.0 109.582 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -75.81 -100.36 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.212 -1.169 . . . . 0.0 109.36 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -161.98 -169.09 2.09 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.883 -1.135 . . . . 0.0 109.458 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.48 -90.34 0.23 Allowed Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.323 -1.511 . . . . 0.0 109.323 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.53 ' HB2' ' CG ' ' B' ' 26' ' ' LYS . 0.0 OUTLIER -105.85 97.67 7.46 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.25 -1.147 . . . . 0.0 109.296 179.681 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.467 ' O ' ' CB ' ' B' ' 25' ' ' HIS . 30.2 tttm -102.51 153.42 20.09 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.415 -0.803 . . . . 0.0 109.653 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . 0.515 ' NE2' ' CE2' ' B' ' 70' ' ' PHE . 13.1 t-160 74.23 4.4 4.53 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.204 -0.935 . . . . 0.0 109.601 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.53 ' CG ' ' HB2' ' B' ' 23' ' ' ASP . 9.5 ptmt -138.14 142.22 40.14 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.228 -0.92 . . . . 0.0 109.464 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.557 ' CD2' ' CZ ' ' B' ' 14' ' ' PHE . 0.4 OUTLIER -104.85 -165.62 1.15 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.204 -0.935 . . . . 0.0 109.455 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.524 ' CG ' ' O ' ' B' ' 66' ' ' GLY . 1.6 tttt -149.53 164.18 35.76 Favored 'General case' 0 N--CA 1.486 1.336 0 O-C-N 121.304 -0.873 . . . . 0.0 109.109 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.493 ' HB2' ' HA2' ' B' ' 64' ' ' GLY . 3.6 mttp -76.73 -27.74 55.54 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.128 -0.982 . . . . 0.0 108.957 179.682 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 6.2 p -75.13 -38.21 61.11 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.269 -0.894 . . . . 0.0 109.363 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.479 ' O ' ' HG2' ' B' ' 34' ' ' GLU . 16.6 tt0 -85.82 -19.27 30.92 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.169 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.506 ' O ' HG13 ' B' ' 36' ' ' ILE . 11.0 tp -79.97 -31.94 39.85 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 107.295 -1.372 . . . . 0.0 107.295 178.571 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.436 ' HG2' HD11 ' B' ' 60' ' ' LEU . 0.4 OUTLIER -65.88 -43.5 88.11 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.104 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.519 ' HG3' ' N ' ' B' ' 35' ' ' LEU . 6.1 pt-20 -70.45 -41.91 72.18 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 107.918 -1.142 . . . . 0.0 107.918 179.267 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.519 ' N ' ' HG3' ' B' ' 34' ' ' GLU . 0.1 OUTLIER -45.5 -43.22 11.5 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.49 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.506 HG13 ' O ' ' B' ' 32' ' ' LEU . 0.4 OUTLIER -79.36 -57.92 4.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.169 -0.957 . . . . 0.0 109.958 -179.862 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.468 ' O ' ' HB2' ' B' ' 41' ' ' SER . 15.7 t-20 -75.4 -61.27 1.96 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.285 -0.885 . . . . 0.0 110.623 -179.006 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.481 ' N ' ' O ' ' B' ' 34' ' ' GLU . 2.1 t30 -50.89 -28.63 10.02 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.117 -0.989 . . . . 0.0 110.303 -178.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.473 ' HG2' ' HB3' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -101.94 -70.84 0.74 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.944 -1.098 . . . . 0.0 110.21 -179.637 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.465 HD13 ' HG2' ' A' ' 7' ' ' MET . 83.7 mt -71.5 -99.62 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.134 -0.979 . . . . 0.0 109.967 -179.308 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.468 ' HB2' ' O ' ' B' ' 37' ' ' ASN . 7.2 t 58.01 16.27 3.66 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.997 -1.064 . . . . 0.0 109.692 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -86.05 -60.38 2.03 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.141 -0.974 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . 0.452 ' O ' ' O ' ' B' ' 44' ' ' LEU . 26.0 m-85 -62.35 -108.84 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.147 -0.97 . . . . 0.0 108.928 179.507 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.452 ' O ' ' O ' ' B' ' 43' ' ' PHE . 0.1 OUTLIER 39.86 92.66 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.085 -1.01 . . . . 0.0 110.225 179.52 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -114.15 -80.07 0.59 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.257 -0.902 . . . . 0.0 108.883 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.49 ' O ' ' HG3' ' B' ' 46' ' ' GLU . 1.8 tt0 -110.18 -17.82 13.45 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 179.347 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.477 ' HB ' ' O ' ' B' ' 46' ' ' GLU . 16.0 mt 74.54 100.04 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.478 -0.764 . . . . 0.0 109.888 179.485 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.573 ' HB2' ' CD2' ' B' ' 85' ' ' HIS . 2.5 tttp -89.45 -44.48 10.12 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.295 -0.878 . . . . 0.0 108.777 179.472 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.534 ' HB3' ' CG2' ' B' ' 52' ' ' VAL . 6.8 mm-40 -83.67 69.36 10.14 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 179.392 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . 0.488 ' O ' ' HB2' ' B' ' 54' ' ' ASP . 0.8 OUTLIER -51.01 -23.84 3.28 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.337 -0.852 . . . . 0.0 109.539 -179.687 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.47 ' O ' ' HB2' ' B' ' 55' ' ' LYS . 2.5 tt0 -80.11 -36.46 35.36 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.298 -0.876 . . . . 0.0 110.051 -179.549 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.534 ' CG2' ' HB3' ' B' ' 49' ' ' GLU . 33.0 t -72.08 -42.24 67.65 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.461 0 O-C-N 121.055 -1.028 . . . . 0.0 109.729 -179.505 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 87.2 t -78.85 -33.85 16.65 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.129 -0.982 . . . . 0.0 109.68 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . 0.535 ' O ' ' CG ' ' B' ' 58' ' ' GLU . 49.4 m-20 -78.8 -20.87 48.75 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.121 -0.987 . . . . 0.0 108.691 179.512 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.47 ' HB2' ' O ' ' B' ' 51' ' ' GLU . 23.9 tptp -80.32 -48.27 13.24 Favored 'General case' 0 N--CA 1.485 1.324 0 O-C-N 121.28 -0.888 . . . . 0.0 109.773 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.557 HG11 ' CE2' ' B' ' 76' ' ' PHE . 6.1 m -74.88 -37.85 42.59 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.363 0 O-C-N 120.999 -1.063 . . . . 0.0 109.431 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 52.1 tpp -73.11 -23.1 60.46 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.471 -0.768 . . . . 0.0 109.203 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . 0.535 ' CG ' ' O ' ' B' ' 54' ' ' ASP . 22.7 mt-10 -77.72 -47.2 19.67 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 119.218 -0.993 . . . . 0.0 108.895 179.437 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 4.2 m -66.47 -21.21 66.19 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 178.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.451 HD21 ' O ' ' B' ' 29' ' ' LYS . 12.4 mt -74.74 -58.98 2.94 Favored 'General case' 0 N--CA 1.487 1.424 0 CA-C-O 121.671 0.748 . . . . 0.0 109.101 179.414 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.02 -4.89 46.5 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.609 -0.682 . . . . 0.0 109.476 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.447 ' CB ' ' O ' ' B' ' 58' ' ' GLU . 52.9 tt0 -80.27 -54.51 5.66 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.286 -0.884 . . . . 0.0 109.689 -179.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' B' ' 65' ' ' ASP . 1.1 t0 -127.99 47.57 2.39 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.415 -0.803 . . . . 0.0 109.996 -179.661 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . 0.493 ' HA2' ' HB2' ' B' ' 29' ' ' LYS . . . -39.35 -29.31 0.12 Allowed Glycine 0 N--CA 1.492 2.42 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 179.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' B' ' 63' ' ' ASP . 27.6 t70 -92.97 42.46 1.1 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.343 -1.092 . . . . 0.0 109.396 179.587 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.524 ' O ' ' CG ' ' B' ' 28' ' ' LYS . . . -120.44 175.32 15.94 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -115.25 152.89 31.89 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.15 -1.206 . . . . 0.0 110.121 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.94 -171.52 2.59 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.382 -0.824 . . . . 0.0 109.189 179.697 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -121.99 174.56 6.83 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.183 -0.948 . . . . 0.0 109.238 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.568 ' HA ' ' CE2' ' B' ' 14' ' ' PHE . 6.8 p90 -72.22 -32.19 66.52 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.206 -0.934 . . . . 0.0 109.207 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . 0.502 ' HG3' ' N ' ' B' ' 72' ' ' GLU . 0.0 OUTLIER -79.87 -29.8 40.07 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.194 -0.941 . . . . 0.0 109.246 179.703 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.502 ' N ' ' HG3' ' B' ' 71' ' ' GLN . 0.6 OUTLIER -72.32 -58.44 3.4 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.299 -0.875 . . . . 0.0 108.728 179.508 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.408 ' CE1' ' HD2' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -57.58 -24.99 59.29 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 179.134 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' MET . . . . . 0.479 ' HE2' ' HB3' ' B' ' 10' ' ' LEU . 0.0 OUTLIER -69.22 -54.7 13.41 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.561 -0.712 . . . . 0.0 109.576 -179.809 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.444 ' O ' ' HG3' ' B' ' 79' ' ' MET . . . -69.15 -15.95 63.53 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.252 -0.905 . . . . 0.0 109.018 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.557 ' CE2' HG11 ' B' ' 56' ' ' VAL . 1.4 m-85 -80.0 -37.8 33.45 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.427 -0.796 . . . . 0.0 109.256 179.759 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.484 ' O ' ' OG1' ' B' ' 81' ' ' THR . 68.5 t -72.77 -26.25 23.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.384 -0.823 . . . . 0.0 109.905 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 21.5 m -77.97 -50.04 12.92 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.205 -0.935 . . . . 0.0 110.622 -179.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' MET . . . . . 0.448 ' HB3' ' CG1' ' B' ' 52' ' ' VAL . 0.5 OUTLIER -54.42 -46.47 73.19 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.067 -1.02 . . . . 0.0 110.552 -179.12 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . 0.478 HG23 ' O ' ' B' ' 76' ' ' PHE . 3.3 m -63.03 -40.46 89.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.104 -0.998 . . . . 0.0 110.38 -179.15 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.484 ' OG1' ' O ' ' B' ' 77' ' ' VAL . 0.2 OUTLIER -69.43 -10.07 56.38 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.911 -1.118 . . . . 0.0 109.356 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -113.03 -0.06 14.86 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.241 -0.912 . . . . 0.0 109.606 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . 0.413 ' HB3' ' HB ' ' B' ' 52' ' ' VAL . . . -87.28 30.11 0.81 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.136 -0.978 . . . . 0.0 109.61 179.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 5.4 m -127.56 -176.87 3.88 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.137 -0.977 . . . . 0.0 109.518 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.573 ' CD2' ' HB2' ' B' ' 48' ' ' LYS . 2.5 m80 -105.03 -44.5 4.78 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.118 -0.989 . . . . 0.0 109.555 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -103.06 81.02 1.92 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.314 -0.866 . . . . 0.0 109.615 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . 0.453 ' O ' HG23 ' A' ' 11' ' ' ILE . 5.6 p90 -107.34 -6.65 17.04 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.183 -0.948 . . . . 0.0 109.733 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.486 ' CE1' HG21 ' A' ' 11' ' ' ILE . 7.5 m-30 -97.21 -64.58 1.03 Allowed 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 108.172 -1.048 . . . . 0.0 108.172 179.302 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 178.18 -70.02 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.541 -0.725 . . . . 0.0 109.812 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 8.8 p-80 -67.32 -164.32 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.369 -0.832 . . . . 0.0 109.89 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 . . . . . 0 N--CA 1.489 1.52 0 CA-C-O 118.018 -0.991 . . . . 0.0 109.475 -179.886 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.608 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.473 ' OG ' ' HB3' ' A' ' 4' ' ' GLU . 93.4 p -135.93 172.29 13.23 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.247 -0.908 . . . . 0.0 109.69 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.566 ' HB2' ' CG2' ' B' ' 13' ' ' VAL . 46.6 mm-40 -80.44 -36.0 34.22 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.417 -0.802 . . . . 0.0 109.703 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.483 ' O ' ' HB3' ' A' ' 7' ' ' MET . 7.0 tp -76.84 -49.39 15.86 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.349 -0.844 . . . . 0.0 110.425 -178.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.539 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 2.6 tm-20 -57.76 -37.32 73.43 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 120.915 -1.115 . . . . 0.0 110.409 -178.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.78 -53.62 6.34 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.823 -1.173 . . . . 0.0 110.471 -179.213 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.45 ' HB3' ' HB2' ' B' ' 9' ' ' ALA . . . -67.11 -58.11 5.5 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.156 -0.965 . . . . 0.0 110.42 -179.032 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.51 ' CE ' ' HA ' ' B' ' 78' ' ' SER . 11.3 tpt -51.02 -55.7 16.15 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.334 -0.854 . . . . 0.0 110.112 -179.254 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.539 ' CG2' ' O ' ' A' ' 4' ' ' GLU . 21.6 t -61.29 -30.46 47.97 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.579 0 O-C-N 121.337 -0.852 . . . . 0.0 109.904 -179.175 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.443 ' HB2' ' HB3' ' B' ' 6' ' ' ALA . . . -61.09 -45.78 93.3 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.999 -1.063 . . . . 0.0 108.88 179.49 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.458 HD13 ' HA ' ' B' ' 7' ' ' MET . 0.2 OUTLIER -51.65 -41.0 61.01 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.304 -0.873 . . . . 0.0 108.691 179.589 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.538 ' CD1' ' N ' ' A' ' 11' ' ' ILE . 1.5 mp -58.22 -41.21 80.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 179.229 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -53.45 -53.05 56.94 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.415 -0.803 . . . . 0.0 109.036 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.562 ' CG2' ' HB2' ' B' ' 2' ' ' GLU . 52.9 t -45.76 -35.36 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.351 -0.843 . . . . 0.0 109.4 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.595 ' CE2' ' HA ' ' A' ' 70' ' ' PHE . 20.2 t80 -60.14 -50.27 74.35 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.246 -0.909 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -77.4 1.65 18.4 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.216 -0.928 . . . . 0.0 109.458 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.439 ' HB2' ' HA ' ' A' ' 13' ' ' VAL . 2.9 tp60 -76.41 -51.38 11.95 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 179.42 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.577 ' CZ ' HD23 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -137.43 67.01 1.44 Allowed 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.432 -0.792 . . . . 0.0 109.572 179.109 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.3 t -126.81 -35.81 2.27 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.252 -0.905 . . . . 0.0 108.999 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -96.92 -18.58 29.14 Favored Glycine 0 N--CA 1.488 2.115 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 46.8 mtp85 -77.73 -45.87 23.46 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.289 -1.124 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -81.11 -72.97 0.4 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.445 -0.784 . . . . 0.0 109.253 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.21 -127.39 0.09 OUTLIER Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.326 -1.51 . . . . 0.0 109.326 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.481 ' O ' ' CB ' ' A' ' 24' ' ' LYS . 27.1 t0 -113.9 -60.36 1.89 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.179 -1.189 . . . . 0.0 109.475 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.503 ' O ' ' HB3' ' A' ' 25' ' ' HIS . 28.1 ttpt 166.59 144.99 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.324 -0.86 . . . . 0.0 109.325 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.629 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 9.0 t-80 64.72 12.72 7.85 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.326 -0.859 . . . . 0.0 109.733 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.488 ' HG3' ' O ' ' A' ' 24' ' ' LYS . 7.8 mttt -140.03 168.95 18.63 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.575 -1.328 . . . . 0.0 109.906 179.434 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.572 HD21 ' CZ ' ' A' ' 14' ' ' PHE . 0.6 OUTLIER -131.91 -165.18 1.55 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.465 -0.772 . . . . 0.0 109.098 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.429 ' HA ' ' O ' ' A' ' 66' ' ' GLY . 0.0 OUTLIER -150.02 169.89 20.15 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.205 -0.935 . . . . 0.0 109.78 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.485 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 6.4 mmtt -79.58 -25.78 41.46 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.346 -0.846 . . . . 0.0 109.327 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.01 -38.06 32.87 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.256 -0.903 . . . . 0.0 109.505 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.469 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 10.6 tt0 -83.76 -20.07 34.0 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 179.284 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.498 ' O ' HG13 ' A' ' 36' ' ' ILE . 24.9 tp -80.98 -37.98 28.38 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 178.581 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.485 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 3.0 tttt -64.33 -34.24 77.68 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 179.443 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.513 ' CG ' ' N ' ' A' ' 35' ' ' LEU . 8.5 pt-20 -80.25 -42.24 23.55 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 179.511 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.584 ' HG ' ' CE1' ' A' ' 73' ' ' PHE . 0.1 OUTLIER -45.16 -50.83 11.09 Favored 'General case' 0 C--N 1.295 -1.798 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 179.687 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.592 ' CG2' ' CG2' ' A' ' 80' ' ' VAL . 0.2 OUTLIER -78.8 -49.86 19.7 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 O-C-N 121.412 -0.805 . . . . 0.0 109.915 -179.735 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.554 ' O ' ' CB ' ' A' ' 41' ' ' SER . 15.6 t-20 -72.61 -68.26 0.49 Allowed 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.299 -0.876 . . . . 0.0 110.085 -179.21 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.513 ' HB3' ' O ' ' A' ' 34' ' ' GLU . 0.7 OUTLIER -43.89 -23.2 0.08 Allowed 'General case' 0 C--N 1.3 -1.585 0 O-C-N 120.919 -1.113 . . . . 0.0 110.334 -179.478 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.47 ' HB2' ' O ' ' A' ' 35' ' ' LEU . 18.4 mm-40 -109.11 -76.39 0.61 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.722 -1.236 . . . . 0.0 111.72 -178.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.539 HD13 ' CG1' ' A' ' 77' ' ' VAL . 4.5 mt -66.85 -12.48 59.29 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.921 -1.112 . . . . 0.0 112.041 -177.627 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.554 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 47.2 t -55.92 -40.42 73.06 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.543 -1.348 . . . . 0.0 109.917 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.2 m170 -61.1 -28.28 68.97 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.042 -1.036 . . . . 0.0 109.8 -179.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.56 ' O ' ' CG ' ' A' ' 43' ' ' PHE . 18.1 t80 -102.79 1.85 34.76 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.286 -0.884 . . . . 0.0 109.897 -179.532 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.2 tt -113.57 128.56 56.48 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.07 -1.019 . . . . 0.0 109.757 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -165.73 24.42 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.303 -0.873 . . . . 0.0 109.676 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.458 ' OE1' ' HA ' ' A' ' 46' ' ' GLU . 5.1 mm-40 -133.82 -54.15 0.87 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.265 -0.897 . . . . 0.0 108.884 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.475 ' HA ' ' O ' ' A' ' 83' ' ' ALA . 5.9 mt 54.06 96.43 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.335 -0.853 . . . . 0.0 109.83 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.5 ' HG3' ' ND1' ' A' ' 85' ' ' HIS . 0.0 OUTLIER -95.26 -33.17 12.67 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.176 -0.952 . . . . 0.0 109.018 179.403 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.44 ' HB3' ' HB ' ' A' ' 52' ' ' VAL . 2.7 mm-40 -89.11 68.48 8.23 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.289 -0.882 . . . . 0.0 109.195 179.661 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.529 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 3.6 tp60 -43.78 -26.74 0.27 Allowed 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.247 -0.908 . . . . 0.0 109.536 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 49' ' ' GLU . 4.6 tt0 -76.13 -44.87 36.45 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.202 -0.936 . . . . 0.0 109.823 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.44 ' HB ' ' HB3' ' A' ' 49' ' ' GLU . 96.9 t -61.19 -55.25 25.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.225 -0.922 . . . . 0.0 109.736 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.425 HG23 HG12 ' A' ' 47' ' ' ILE . 74.5 t -66.88 -29.16 45.38 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.242 -0.911 . . . . 0.0 109.782 -179.645 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.529 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 14.2 t70 -75.89 -21.89 56.67 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.085 -1.009 . . . . 0.0 109.154 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -81.16 -51.64 8.22 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.134 -0.979 . . . . 0.0 109.649 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.579 ' HA ' ' CE2' ' A' ' 76' ' ' PHE . 35.8 m -69.17 -47.08 76.44 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.302 0 O-C-N 121.068 -1.02 . . . . 0.0 108.756 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.461 ' N ' HG22 ' A' ' 56' ' ' VAL . 28.8 tpp -62.95 -20.03 64.84 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 178.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.521 ' CG ' ' O ' ' A' ' 54' ' ' ASP . 2.7 mt-10 -72.46 -57.56 4.07 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.494 -0.754 . . . . 0.0 109.588 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.45 ' O ' ' HB3' ' A' ' 62' ' ' GLU . 0.2 OUTLIER -58.87 -38.71 79.42 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.465 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.46 HD11 ' HG3' ' A' ' 33' ' ' LYS . 12.0 mt -55.06 -55.38 31.67 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 179.239 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.81 -2.04 45.54 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.466 -0.771 . . . . 0.0 109.386 179.594 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.45 ' HB3' ' O ' ' A' ' 59' ' ' THR . 40.1 tt0 -68.2 -32.37 72.54 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.129 -0.982 . . . . 0.0 109.178 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -150.51 -48.66 0.13 Allowed 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.33 -0.857 . . . . 0.0 109.637 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.436 ' C ' ' HB2' ' A' ' 29' ' ' LYS . . . 88.23 -19.3 36.01 Favored Glycine 0 N--CA 1.489 2.224 0 N-CA-C 109.463 -1.455 . . . . 0.0 109.463 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -121.54 83.41 2.08 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.351 -1.088 . . . . 0.0 109.346 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.429 ' O ' ' HA ' ' A' ' 28' ' ' LYS . . . -143.39 -177.36 18.27 Favored Glycine 0 N--CA 1.488 2.111 0 N-CA-C 109.531 -1.428 . . . . 0.0 109.531 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -121.86 127.47 50.54 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.311 -1.111 . . . . 0.0 109.46 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 49.5 m -109.78 168.45 9.41 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.284 -0.885 . . . . 0.0 109.848 -179.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -99.25 -170.35 1.9 Allowed 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.232 -0.917 . . . . 0.0 109.001 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.595 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 3.4 p90 -84.47 -36.81 22.02 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.105 -0.997 . . . . 0.0 109.593 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.592 ' HG2' ' CD2' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -81.12 -13.78 58.34 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.867 -1.146 . . . . 0.0 108.978 179.077 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.463 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 1.5 mm-40 -78.35 -48.4 15.66 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.313 -0.867 . . . . 0.0 108.701 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.584 ' CE1' ' HG ' ' A' ' 35' ' ' LEU . 0.3 OUTLIER -68.73 -29.97 68.5 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.276 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.409 ' HE1' ' CD1' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -74.15 -45.78 46.55 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.366 -0.834 . . . . 0.0 109.528 -179.761 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.532 ' O ' ' CG ' ' A' ' 79' ' ' MET . . . -72.03 -18.39 61.96 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.416 -0.803 . . . . 0.0 108.957 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.579 ' CE2' ' HA ' ' A' ' 56' ' ' VAL . 0.2 OUTLIER -80.06 -37.94 32.86 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.421 -0.8 . . . . 0.0 109.609 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.539 ' CG1' HD13 ' A' ' 40' ' ' LEU . 98.6 t -70.19 -27.0 30.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.224 -0.923 . . . . 0.0 109.51 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.536 ' O ' ' CG2' ' A' ' 82' ' ' THR . 15.8 m -76.05 -26.09 56.24 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.188 -0.945 . . . . 0.0 109.671 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.532 ' CG ' ' O ' ' A' ' 75' ' ' ALA . 5.2 mtp -69.44 -50.61 44.09 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.276 -0.89 . . . . 0.0 109.142 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.592 ' CG2' ' CG2' ' A' ' 36' ' ' ILE . 12.0 m -70.54 -40.97 77.92 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.361 0 O-C-N 121.386 -0.822 . . . . 0.0 109.95 -179.614 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.507 ' OG1' ' CD1' ' A' ' 40' ' ' LEU . 22.1 m -67.43 -9.99 47.08 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.132 -0.98 . . . . 0.0 109.046 179.343 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.536 ' CG2' ' O ' ' A' ' 78' ' ' SER . 74.2 p -115.12 -11.79 12.0 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.376 -0.828 . . . . 0.0 109.353 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.475 ' O ' ' HA ' ' A' ' 47' ' ' ILE . . . -86.91 54.79 3.3 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.322 -0.861 . . . . 0.0 109.337 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 72.8 m -123.56 173.67 7.91 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.286 -0.884 . . . . 0.0 109.511 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.5 ' ND1' ' HG3' ' A' ' 48' ' ' LYS . 2.4 t60 -99.25 148.61 23.95 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.358 -0.839 . . . . 0.0 109.165 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.455 ' OE2' ' CD2' ' A' ' 85' ' ' HIS . 1.3 mt-10 51.72 66.32 1.23 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.196 -0.94 . . . . 0.0 109.331 -179.72 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.3 t80 46.74 -159.16 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.308 -0.87 . . . . 0.0 109.763 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.48 ' CE1' ' HA ' ' A' ' 82' ' ' THR . 0.1 OUTLIER -145.28 102.91 3.79 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.323 -0.86 . . . . 0.0 109.225 -179.685 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -149.07 -80.96 0.12 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.26 -0.9 . . . . 0.0 109.798 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -148.62 61.16 1.08 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.316 -0.865 . . . . 0.0 109.422 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 . . . . . 0 N--CA 1.488 1.44 0 CA-C-O 117.932 -1.032 . . . . 0.0 109.404 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.475 ' OG ' ' HB3' ' B' ' 4' ' ' GLU . 93.4 p -136.06 172.3 13.21 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.143 -0.973 . . . . 0.0 109.643 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.562 ' HB2' ' CG2' ' A' ' 13' ' ' VAL . 46.3 mm-40 -80.44 -36.01 34.2 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.399 -0.813 . . . . 0.0 109.792 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.49 ' O ' ' HB3' ' B' ' 7' ' ' MET . 7.0 tp -76.78 -49.41 15.97 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.371 -0.831 . . . . 0.0 110.416 -179.008 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.542 ' O ' ' CG2' ' B' ' 8' ' ' VAL . 2.6 tm-20 -57.74 -37.36 73.45 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 120.923 -1.111 . . . . 0.0 110.462 -178.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.75 -53.64 6.33 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.863 -1.148 . . . . 0.0 110.462 -179.247 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . 0.443 ' HB3' ' HB2' ' A' ' 9' ' ' ALA . . . -67.04 -58.21 5.36 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.078 -1.014 . . . . 0.0 110.487 -179.023 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' MET . . . . . 0.51 ' CE ' ' HA ' ' A' ' 78' ' ' SER . 11.4 tpt -50.89 -55.71 15.78 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.282 -0.887 . . . . 0.0 110.124 -179.312 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . 0.542 ' CG2' ' O ' ' B' ' 4' ' ' GLU . 21.6 t -61.32 -30.47 48.01 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 O-C-N 121.319 -0.863 . . . . 0.0 110.0 -179.195 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . 0.45 ' HB2' ' HB3' ' A' ' 6' ' ' ALA . . . -61.16 -45.73 93.45 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.888 -1.132 . . . . 0.0 108.934 179.414 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.466 HD13 ' HA ' ' A' ' 7' ' ' MET . 0.2 OUTLIER -51.58 -41.11 60.93 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.272 -0.892 . . . . 0.0 108.628 179.514 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.544 ' CD1' ' N ' ' B' ' 11' ' ' ILE . 1.5 mp -58.04 -41.41 80.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 N-CA-C 108.555 -0.905 . . . . 0.0 108.555 179.158 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -53.3 -53.01 57.12 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.471 -0.768 . . . . 0.0 109.066 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . 0.566 ' CG2' ' HB2' ' A' ' 2' ' ' GLU . 53.2 t -45.83 -35.4 2.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.339 -0.851 . . . . 0.0 109.399 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.592 ' CE2' ' HA ' ' B' ' 70' ' ' PHE . 20.3 t80 -60.11 -50.3 74.25 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.196 -0.94 . . . . 0.0 109.223 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -77.31 1.54 18.46 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.345 -0.847 . . . . 0.0 109.543 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.431 ' HB2' ' HA ' ' B' ' 13' ' ' VAL . 2.9 tp60 -76.4 -51.29 12.15 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 179.383 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.581 ' CZ ' HD23 ' B' ' 35' ' ' LEU . 0.1 OUTLIER -137.42 66.94 1.44 Allowed 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.433 -0.792 . . . . 0.0 109.506 179.177 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 8.4 t -126.79 -35.84 2.27 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.391 -0.818 . . . . 0.0 109.047 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -96.89 -18.58 29.19 Favored Glycine 0 N--CA 1.488 2.108 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 47.0 mtp85 -77.69 -45.81 23.79 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.269 -1.136 . . . . 0.0 109.422 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -81.22 -72.86 0.4 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.355 -0.841 . . . . 0.0 109.28 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.27 -127.38 0.09 OUTLIER Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.265 -1.534 . . . . 0.0 109.265 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.48 ' O ' ' HB2' ' B' ' 24' ' ' LYS . 27.2 t0 -113.91 -60.34 1.9 Allowed 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.2 -1.177 . . . . 0.0 109.507 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.507 ' O ' ' HB3' ' B' ' 25' ' ' HIS . 28.2 ttpt 166.62 144.99 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.388 -0.82 . . . . 0.0 109.28 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . 0.629 ' CG ' ' O ' ' B' ' 25' ' ' HIS . 9.0 t-80 64.68 12.76 7.84 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.394 -0.816 . . . . 0.0 109.723 179.707 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.499 ' HG3' ' O ' ' B' ' 24' ' ' LYS . 7.7 mttt -140.02 168.98 18.56 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.539 -1.35 . . . . 0.0 109.95 179.434 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.563 HD21 ' CZ ' ' B' ' 14' ' ' PHE . 0.6 OUTLIER -131.96 -165.2 1.55 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.491 -0.756 . . . . 0.0 109.153 179.891 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.43 ' HA ' ' O ' ' B' ' 66' ' ' GLY . 0.0 OUTLIER -149.99 169.97 19.94 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.113 -0.992 . . . . 0.0 109.788 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.477 ' O ' ' HB2' ' B' ' 33' ' ' LYS . 6.4 mmtt -79.66 -25.74 41.22 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.275 -0.891 . . . . 0.0 109.254 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.96 -38.15 32.88 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.362 -0.836 . . . . 0.0 109.519 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.474 ' O ' ' HG2' ' B' ' 34' ' ' GLU . 10.6 tt0 -83.75 -19.97 34.2 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 179.335 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.491 ' O ' HG13 ' B' ' 36' ' ' ILE . 24.7 tp -81.08 -38.02 28.01 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 178.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.477 ' HB2' ' O ' ' B' ' 29' ' ' LYS . 3.1 tttt -64.21 -34.19 77.53 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 179.5 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.526 ' HG3' ' N ' ' B' ' 35' ' ' LEU . 8.4 pt-20 -80.35 -42.32 23.13 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 179.561 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.581 HD23 ' CZ ' ' B' ' 17' ' ' TYR . 0.1 OUTLIER -45.05 -50.78 10.67 Favored 'General case' 0 C--N 1.295 -1.792 0 CA-C-O 121.432 0.634 . . . . 0.0 109.303 179.603 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.579 ' CG2' ' CG2' ' B' ' 80' ' ' VAL . 0.2 OUTLIER -78.88 -49.77 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.308 -0.87 . . . . 0.0 109.961 -179.764 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.557 ' O ' ' CB ' ' B' ' 41' ' ' SER . 15.7 t-20 -72.65 -68.39 0.48 Allowed 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.317 -0.865 . . . . 0.0 109.901 -179.167 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.51 ' HB3' ' O ' ' B' ' 34' ' ' GLU . 0.7 OUTLIER -43.8 -23.13 0.07 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.81 -1.181 . . . . 0.0 110.447 -179.46 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.472 ' HB2' ' O ' ' B' ' 35' ' ' LEU . 18.3 mm-40 -109.2 -76.37 0.61 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.735 -1.228 . . . . 0.0 111.709 -178.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.537 HD13 ' CG1' ' B' ' 77' ' ' VAL . 4.5 mt -66.89 -12.52 59.62 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.904 -1.122 . . . . 0.0 112.027 -177.606 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.557 ' CB ' ' O ' ' B' ' 37' ' ' ASN . 46.9 t -55.91 -40.38 72.98 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.652 -1.28 . . . . 0.0 109.881 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 1.3 m170 -61.1 -28.34 69.02 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.147 -0.971 . . . . 0.0 109.852 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . 0.565 ' O ' ' CG ' ' B' ' 43' ' ' PHE . 18.1 t80 -102.76 1.79 34.76 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.247 -0.908 . . . . 0.0 109.948 -179.457 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.2 tt -113.53 128.61 56.5 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.169 -0.957 . . . . 0.0 109.868 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -165.78 24.54 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.27 -0.894 . . . . 0.0 109.645 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.455 ' OE1' ' HA ' ' B' ' 46' ' ' GLU . 5.1 mm-40 -133.78 -53.96 0.87 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.208 -0.932 . . . . 0.0 109.016 179.729 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.479 ' HA ' ' O ' ' B' ' 83' ' ' ALA . 5.9 mt 53.92 96.38 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 O-C-N 121.361 -0.837 . . . . 0.0 109.92 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.499 ' HG3' ' ND1' ' B' ' 85' ' ' HIS . 0.0 OUTLIER -95.26 -33.09 12.7 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.293 -0.879 . . . . 0.0 108.994 179.484 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.454 ' HB3' ' HB ' ' B' ' 52' ' ' VAL . 2.7 mm-40 -89.17 68.59 8.18 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.33 -0.856 . . . . 0.0 109.123 179.693 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . 0.521 ' O ' ' CB ' ' B' ' 54' ' ' ASP . 3.6 tp60 -43.87 -26.65 0.28 Allowed 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.31 -0.869 . . . . 0.0 109.626 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' B' ' 49' ' ' GLU . 4.6 tt0 -76.14 -44.92 36.08 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.283 -0.886 . . . . 0.0 109.73 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.454 ' HB ' ' HB3' ' B' ' 49' ' ' GLU . 96.9 t -61.22 -55.24 25.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.133 -0.979 . . . . 0.0 109.707 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.42 HG23 HG12 ' B' ' 47' ' ' ILE . 75.1 t -66.94 -29.17 45.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.302 -0.874 . . . . 0.0 109.721 -179.617 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . 0.532 ' O ' ' CG ' ' B' ' 58' ' ' GLU . 14.3 t70 -75.89 -21.8 56.77 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.22 -0.925 . . . . 0.0 109.137 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -81.14 -51.68 8.19 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.309 -0.869 . . . . 0.0 109.74 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.577 ' HA ' ' CE2' ' B' ' 76' ' ' PHE . 35.8 m -69.09 -47.16 76.55 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.228 0 O-C-N 121.046 -1.034 . . . . 0.0 108.704 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.456 ' N ' HG22 ' B' ' 56' ' ' VAL . 28.8 tpp -63.01 -19.93 64.83 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . 0.532 ' CG ' ' O ' ' B' ' 54' ' ' ASP . 2.7 mt-10 -72.45 -57.51 4.12 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.429 -0.794 . . . . 0.0 109.572 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' THR . . . . . 0.443 ' O ' ' HB3' ' B' ' 62' ' ' GLU . 0.2 OUTLIER -58.96 -38.68 79.63 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 179.468 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.467 HD11 ' HG3' ' B' ' 33' ' ' LYS . 12.0 mt -55.08 -55.34 32.17 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 179.313 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.9 -1.96 45.56 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.444 -0.785 . . . . 0.0 109.394 179.641 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.443 ' HB3' ' O ' ' B' ' 59' ' ' THR . 40.1 tt0 -68.36 -32.28 72.27 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.093 -1.005 . . . . 0.0 109.127 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -150.51 -48.7 0.13 Allowed 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.35 -0.844 . . . . 0.0 109.662 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . 0.438 ' C ' ' HB2' ' B' ' 29' ' ' LYS . . . 88.3 -19.33 36.13 Favored Glycine 0 N--CA 1.489 2.208 0 N-CA-C 109.489 -1.445 . . . . 0.0 109.489 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -121.53 83.54 2.1 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.29 -1.123 . . . . 0.0 109.36 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.43 ' O ' ' HA ' ' B' ' 28' ' ' LYS . . . -143.49 -177.44 18.43 Favored Glycine 0 N--CA 1.486 1.981 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -121.74 127.62 50.87 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.159 -1.2 . . . . 0.0 109.453 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 48.7 m -109.97 168.46 9.41 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.339 -0.851 . . . . 0.0 109.806 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -99.25 -170.19 1.88 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.258 -0.901 . . . . 0.0 109.085 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.596 ' CD2' ' HG2' ' B' ' 71' ' ' GLN . 3.4 p90 -84.57 -36.8 21.86 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.06 -1.025 . . . . 0.0 109.536 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . 0.596 ' HG2' ' CD2' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -81.16 -13.87 58.2 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.864 -1.148 . . . . 0.0 109.002 179.048 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.467 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 1.6 mm-40 -78.23 -48.41 15.84 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.303 -0.873 . . . . 0.0 108.746 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.578 ' CE1' ' HG ' ' B' ' 35' ' ' LEU . 0.3 OUTLIER -68.7 -29.92 68.46 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 179.212 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' MET . . . . . 0.414 ' HE1' ' CD1' ' B' ' 10' ' ' LEU . 0.0 OUTLIER -74.2 -45.78 46.12 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.374 -0.829 . . . . 0.0 109.414 -179.759 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.52 ' O ' ' CG ' ' B' ' 79' ' ' MET . . . -72.25 -18.22 61.84 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.29 -0.881 . . . . 0.0 109.032 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.577 ' CE2' ' HA ' ' B' ' 56' ' ' VAL . 0.2 OUTLIER -80.09 -37.94 32.7 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.42 -0.8 . . . . 0.0 109.567 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.537 ' CG1' HD13 ' B' ' 40' ' ' LEU . 98.7 t -70.22 -26.91 30.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.247 -0.908 . . . . 0.0 109.597 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.53 ' O ' ' CG2' ' B' ' 82' ' ' THR . 15.9 m -76.13 -26.02 55.94 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.207 -0.933 . . . . 0.0 109.631 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' MET . . . . . 0.52 ' CG ' ' O ' ' B' ' 75' ' ' ALA . 5.2 mtp -69.49 -50.59 43.85 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.29 -0.881 . . . . 0.0 109.166 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . 0.579 ' CG2' ' CG2' ' B' ' 36' ' ' ILE . 11.9 m -70.57 -41.04 77.92 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.452 0 O-C-N 121.439 -0.788 . . . . 0.0 109.862 -179.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.523 ' OG1' ' CD1' ' B' ' 40' ' ' LEU . 22.3 m -67.41 -10.1 48.04 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.109 -0.994 . . . . 0.0 108.945 179.476 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.53 ' CG2' ' O ' ' B' ' 78' ' ' SER . 72.7 p -115.06 -11.77 12.05 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.333 -0.855 . . . . 0.0 109.371 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . 0.479 ' O ' ' HA ' ' B' ' 47' ' ' ILE . . . -86.85 54.71 3.27 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.286 -0.884 . . . . 0.0 109.393 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 72.8 m -123.51 173.69 7.87 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.402 -0.811 . . . . 0.0 109.486 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.499 ' ND1' ' HG3' ' B' ' 48' ' ' LYS . 2.4 t60 -99.15 148.66 23.86 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.302 -0.874 . . . . 0.0 109.046 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . 0.44 ' OE2' ' CD2' ' B' ' 85' ' ' HIS . 1.3 mt-10 51.6 66.38 1.21 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.279 -0.888 . . . . 0.0 109.465 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 1.3 t80 46.68 -159.13 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.32 -0.862 . . . . 0.0 109.782 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.481 ' CE1' ' HA ' ' B' ' 82' ' ' THR . 0.1 OUTLIER -145.39 102.9 3.77 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.468 -0.77 . . . . 0.0 109.174 -179.627 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -149.09 -80.97 0.12 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.161 -0.962 . . . . 0.0 109.778 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -148.62 61.23 1.08 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.261 -0.899 . . . . 0.0 109.499 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 . . . . . 0 N--CA 1.489 1.489 0 CA-C-O 117.982 -1.009 . . . . 0.0 109.389 179.983 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.437 ' O ' ' HB3' ' A' ' 5' ' ' LYS . 1.0 OUTLIER -102.87 -169.08 1.61 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.273 -0.892 . . . . 0.0 109.461 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.466 ' OE1' HG21 ' B' ' 13' ' ' VAL . 0.1 OUTLIER -80.24 -63.12 1.48 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.165 -0.959 . . . . 0.0 109.899 -179.844 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.499 ' CD1' HD22 ' B' ' 10' ' ' LEU . 6.2 tp -70.73 -50.83 32.03 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.324 -0.86 . . . . 0.0 109.829 -179.591 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.542 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 12.8 tm-20 -51.16 -36.97 43.73 Favored 'General case' 0 C--N 1.295 -1.776 0 O-C-N 121.283 -0.886 . . . . 0.0 110.313 -178.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.437 ' HB3' ' O ' ' A' ' 1' ' ' SER . 0.1 OUTLIER -81.07 -37.82 28.37 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.785 -1.197 . . . . 0.0 109.798 -179.73 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.501 ' HB3' ' CB ' ' B' ' 9' ' ' ALA . . . -80.42 -69.18 0.61 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.23 -0.918 . . . . 0.0 109.822 -179.682 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.484 ' HE1' ' OG1' ' B' ' 81' ' ' THR . 1.2 tpt -42.52 -51.99 4.88 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.267 -0.896 . . . . 0.0 109.585 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.542 ' CG2' ' O ' ' A' ' 4' ' ' GLU . 17.9 t -66.05 -36.2 76.9 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 O-C-N 121.418 -0.801 . . . . 0.0 109.245 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.505 ' CB ' ' HB3' ' B' ' 6' ' ' ALA . . . -52.64 -40.43 62.77 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.066 -1.021 . . . . 0.0 108.431 179.139 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.526 HD22 ' CD1' ' B' ' 3' ' ' LEU . 0.8 OUTLIER -56.12 -45.61 79.47 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 178.858 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.453 ' HB ' ' O ' ' A' ' 8' ' ' VAL . 1.2 mt -52.47 -36.24 21.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 178.791 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -58.65 -56.32 23.65 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.403 -0.811 . . . . 0.0 109.808 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.466 HG21 ' OE1' ' B' ' 2' ' ' GLU . 76.9 t -46.42 -32.11 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.169 -0.957 . . . . 0.0 109.636 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.56 ' CE2' HD22 ' A' ' 27' ' ' LEU . 32.2 t80 -62.65 -47.69 82.6 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.118 -0.989 . . . . 0.0 109.696 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.445 ' O ' ' CG ' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -75.31 -2.76 29.77 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.189 -0.945 . . . . 0.0 109.262 -179.761 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.86 -32.05 12.29 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.237 -0.914 . . . . 0.0 109.143 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.48 ' CD2' ' CD2' ' A' ' 35' ' ' LEU . 3.4 m-30 -102.9 -57.1 2.1 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.375 -0.828 . . . . 0.0 109.243 179.691 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.519 ' HB2' ' CD2' ' A' ' 27' ' ' LEU . 2.8 t -42.76 -33.93 0.83 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.312 -0.868 . . . . 0.0 109.212 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.469 ' HA2' ' HG2' ' A' ' 24' ' ' LYS . . . -73.84 -112.62 0.07 OUTLIER Glycine 0 N--CA 1.487 2.053 0 N-CA-C 109.453 -1.459 . . . . 0.0 109.453 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 48.94 22.28 0.55 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.281 -1.129 . . . . 0.0 109.493 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -162.4 -71.41 0.05 Allowed 'General case' 0 C--N 1.306 -1.312 0 O-C-N 121.252 -0.905 . . . . 0.0 109.323 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 174.4 -43.31 0.14 Allowed Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.886 -1.286 . . . . 0.0 109.886 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -49.54 -64.93 0.66 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.265 -1.138 . . . . 0.0 109.632 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.469 ' HG2' ' HA2' ' A' ' 19' ' ' GLY . 40.0 mtpt 58.86 23.55 11.46 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.174 -0.954 . . . . 0.0 109.799 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.416 ' CD2' ' O ' ' A' ' 24' ' ' LYS . 19.9 m170 -142.31 8.84 1.83 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.064 -1.022 . . . . 0.0 109.914 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.62 136.26 18.12 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.195 -0.941 . . . . 0.0 109.143 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.56 HD22 ' CE2' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -98.42 -167.89 1.57 Allowed 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.094 -1.003 . . . . 0.0 109.558 179.931 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -150.51 129.13 12.28 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 179.706 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.532 ' O ' ' CD2' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -43.5 -24.18 0.1 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.108 -0.995 . . . . 0.0 110.188 -179.393 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 28' ' ' LYS . 1.6 m -77.67 -45.29 25.36 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.897 -1.127 . . . . 0.0 109.841 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.48 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 1.1 tp10 -74.28 -14.98 60.98 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.079 -1.013 . . . . 0.0 108.72 179.671 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.49 ' O ' HG13 ' A' ' 36' ' ' ILE . 20.1 tp -81.54 -47.84 12.58 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 178.398 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.2 ttmt -50.82 -42.38 58.35 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 178.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.539 ' HG3' ' N ' ' A' ' 35' ' ' LEU . 5.6 pt-20 -74.65 -44.2 51.54 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.457 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.539 ' N ' ' HG3' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -43.63 -41.36 4.61 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 179.471 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.49 HG13 ' O ' ' A' ' 32' ' ' LEU . 0.7 OUTLIER -80.47 -63.79 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 121.338 -0.851 . . . . 0.0 109.951 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.479 ' HA ' ' HB2' ' A' ' 41' ' ' SER . 38.3 t-20 -66.36 -61.87 1.78 Allowed 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.067 -1.021 . . . . 0.0 110.137 -179.188 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.479 ' HB3' ' O ' ' A' ' 34' ' ' GLU . 10.4 t30 -43.48 -44.52 5.97 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.306 -0.871 . . . . 0.0 110.321 -179.519 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.453 ' HG2' ' HB3' ' B' ' 3' ' ' LEU . 0.5 OUTLIER -92.43 -75.7 0.48 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.998 -1.064 . . . . 0.0 110.856 -179.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.482 ' HB2' ' O ' ' A' ' 36' ' ' ILE . 54.5 mt -56.58 -95.19 0.0 OUTLIER 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.088 -1.007 . . . . 0.0 110.036 -178.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.479 ' HB2' ' HA ' ' A' ' 37' ' ' ASN . 39.4 t 42.2 74.14 0.12 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.19 -0.944 . . . . 0.0 109.721 -179.734 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -149.04 -46.31 0.14 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.024 -1.048 . . . . 0.0 109.916 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -98.11 90.89 5.03 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.128 -0.983 . . . . 0.0 109.218 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.64 69.76 1.29 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.317 -0.865 . . . . 0.0 109.472 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -130.09 -51.24 1.12 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.174 -0.953 . . . . 0.0 109.581 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 51.5 mp0 -119.3 68.05 0.8 Allowed 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.395 -0.815 . . . . 0.0 109.478 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.6 mt -64.56 127.79 25.94 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.22 -0.925 . . . . 0.0 109.685 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -98.58 -37.45 9.53 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.208 -0.932 . . . . 0.0 109.282 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.491 ' HB3' ' HB ' ' A' ' 52' ' ' VAL . 15.1 mm-40 -94.78 61.86 2.64 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.234 -0.916 . . . . 0.0 109.344 179.677 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.487 ' O ' ' HB2' ' A' ' 54' ' ' ASP . 14.7 tt0 -53.63 -25.73 19.02 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.182 -0.949 . . . . 0.0 109.404 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.453 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 0.7 OUTLIER -74.9 -35.77 62.23 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.287 -0.883 . . . . 0.0 109.707 -179.869 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.528 ' CG1' ' HB3' ' A' ' 83' ' ' ALA . 54.6 t -65.55 -56.35 15.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.222 -0.924 . . . . 0.0 109.729 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 76.9 t -67.44 -27.98 40.55 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.317 -0.864 . . . . 0.0 109.757 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.521 ' O ' ' CG ' ' A' ' 58' ' ' GLU . 29.4 m-20 -76.79 -24.14 52.87 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.122 -0.986 . . . . 0.0 109.343 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.453 ' HB2' ' O ' ' A' ' 51' ' ' GLU . 2.1 tmtt? -80.53 -48.29 12.97 Favored 'General case' 0 C--N 1.306 -1.299 0 O-C-N 121.262 -0.899 . . . . 0.0 109.775 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.3 m -71.45 -41.45 73.02 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 O-C-N 121.055 -1.028 . . . . 0.0 109.351 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 60.5 tpp -68.87 -24.37 64.33 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.518 -0.739 . . . . 0.0 109.089 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.521 ' CG ' ' O ' ' A' ' 54' ' ' ASP . 15.8 mt-10 -77.24 -53.57 7.56 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.255 -0.903 . . . . 0.0 109.644 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.471 ' HA ' ' HB2' ' A' ' 62' ' ' GLU . 48.9 m -63.04 -31.62 72.8 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.376 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.532 ' CD2' ' O ' ' A' ' 29' ' ' LYS . 9.7 mt -63.82 -54.01 41.83 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.505 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -80.59 -2.52 46.67 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.387 -0.821 . . . . 0.0 109.628 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.471 ' HB2' ' HA ' ' A' ' 59' ' ' THR . 3.5 tt0 -72.57 -45.59 58.49 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.182 -0.949 . . . . 0.0 109.794 -179.673 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.516 ' HB3' ' CE ' ' A' ' 29' ' ' LYS . 58.1 t0 -113.67 -56.08 2.44 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.335 -0.853 . . . . 0.0 109.616 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.76 -45.1 3.45 Favored Glycine 0 N--CA 1.489 2.22 0 N-CA-C 109.434 -1.466 . . . . 0.0 109.434 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -108.17 72.65 0.85 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.315 -1.109 . . . . 0.0 109.33 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -134.01 162.86 24.54 Favored Glycine 0 N--CA 1.486 1.992 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -93.43 133.13 37.02 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.226 -1.161 . . . . 0.0 109.7 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.455 ' HB3' ' CD ' ' A' ' 72' ' ' GLU . 74.1 m -119.9 161.39 20.94 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.327 -0.858 . . . . 0.0 109.005 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -98.83 -177.52 3.67 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.149 -0.97 . . . . 0.0 109.084 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.495 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 0.9 OUTLIER -83.64 -28.71 28.23 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.325 -0.86 . . . . 0.0 109.331 179.75 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.537 ' HG3' ' N ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -81.35 -27.52 34.88 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.302 -0.874 . . . . 0.0 110.125 -179.778 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.553 ' HG3' ' N ' ' A' ' 73' ' ' PHE . 3.2 pt-20 -73.83 -47.19 40.23 Favored 'General case' 0 C--N 1.308 -1.225 0 O-C-N 120.859 -1.15 . . . . 0.0 108.749 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.553 ' N ' ' HG3' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -65.41 -26.96 68.21 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 107.915 -1.142 . . . . 0.0 107.915 178.777 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.445 ' N ' ' CD1' ' A' ' 73' ' ' PHE . 0.3 OUTLIER -66.6 -52.89 40.29 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.599 -0.688 . . . . 0.0 109.706 -179.757 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.461 ' O ' ' HG3' ' A' ' 79' ' ' MET . . . -71.07 -20.7 62.33 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.23 -0.919 . . . . 0.0 109.193 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.454 ' O ' HG23 ' A' ' 80' ' ' VAL . 1.5 m-85 -76.57 -30.79 57.19 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.242 -0.911 . . . . 0.0 109.309 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.459 HG11 ' O ' ' A' ' 77' ' ' VAL . 87.3 t -74.76 -26.87 19.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.147 -0.971 . . . . 0.0 109.501 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.457 ' HA ' ' HE2' ' B' ' 7' ' ' MET . 0.1 OUTLIER -79.87 -48.85 12.81 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.217 -0.927 . . . . 0.0 110.055 -179.738 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.461 ' HG3' ' O ' ' A' ' 75' ' ' ALA . 0.4 OUTLIER -52.74 -45.98 67.26 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.205 -0.935 . . . . 0.0 110.38 -179.473 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.471 HG22 HG22 ' A' ' 36' ' ' ILE . 7.3 m -71.2 -40.49 74.56 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.465 0 O-C-N 121.127 -0.983 . . . . 0.0 110.629 -179.152 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.48 ' OG1' ' HE1' ' B' ' 7' ' ' MET . 4.2 m -74.35 -1.99 23.32 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.908 -1.12 . . . . 0.0 109.487 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 73.4 p -124.78 -8.78 7.29 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.276 -0.89 . . . . 0.0 109.528 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.528 ' HB3' ' CG1' ' A' ' 52' ' ' VAL . . . -82.3 -26.47 33.06 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.196 -0.94 . . . . 0.0 109.439 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.475 ' O ' ' O ' ' A' ' 83' ' ' ALA . 59.0 m -56.38 -160.61 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.292 -0.88 . . . . 0.0 109.585 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.487 ' CD2' ' N ' ' A' ' 86' ' ' GLU . 1.4 p-80 -63.34 -136.85 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.232 -0.918 . . . . 0.0 108.991 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.53 ' O ' ' CB ' ' A' ' 87' ' ' PHE . 48.6 mt-10 -75.62 -94.66 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.803 -1.186 . . . . 0.0 109.493 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.685 ' CZ ' ' CE2' ' A' ' 88' ' ' PHE . 0.0 OUTLIER 162.82 -104.59 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.39 -0.819 . . . . 0.0 109.39 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.685 ' CE2' ' CZ ' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -46.3 92.12 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.141 -0.974 . . . . 0.0 108.947 -179.893 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.558 ' N ' ' O ' ' A' ' 87' ' ' PHE . 10.0 tp10 -133.03 3.06 3.68 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.245 -0.91 . . . . 0.0 110.077 -178.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -49.97 102.76 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.256 -0.903 . . . . 0.0 109.515 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 117.945 -1.026 . . . . 0.0 109.515 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.489 1.494 0 CA-C-O 121.29 0.566 . . . . 0.0 109.537 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.43 ' O ' ' HB3' ' B' ' 5' ' ' LYS . 1.0 OUTLIER -102.9 -169.07 1.6 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.12 -0.987 . . . . 0.0 109.446 179.886 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.466 ' OE1' HG21 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -80.31 -63.23 1.46 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.256 -0.903 . . . . 0.0 109.862 -179.781 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.526 ' CD1' HD22 ' A' ' 10' ' ' LEU . 6.2 tp -70.72 -50.76 32.84 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.403 -0.811 . . . . 0.0 109.787 -179.583 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.539 ' O ' ' CG2' ' B' ' 8' ' ' VAL . 12.8 tm-20 -51.17 -36.9 43.39 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 121.326 -0.859 . . . . 0.0 110.404 -178.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.43 ' HB3' ' O ' ' B' ' 1' ' ' SER . 0.1 OUTLIER -81.17 -37.94 27.93 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.765 -1.209 . . . . 0.0 109.707 -179.758 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . 0.505 ' HB3' ' CB ' ' A' ' 9' ' ' ALA . . . -80.36 -69.25 0.61 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.28 -0.888 . . . . 0.0 109.848 -179.661 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' MET . . . . . 0.48 ' HE1' ' OG1' ' A' ' 81' ' ' THR . 1.1 tpt -42.47 -51.93 4.85 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.316 -0.865 . . . . 0.0 109.542 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . 0.539 ' CG2' ' O ' ' B' ' 4' ' ' GLU . 18.1 t -66.07 -36.21 76.9 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.601 0 O-C-N 121.37 -0.832 . . . . 0.0 109.314 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . 0.501 ' CB ' ' HB3' ' A' ' 6' ' ' ALA . . . -52.61 -40.51 62.79 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.978 -1.076 . . . . 0.0 108.374 179.071 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.499 HD22 ' CD1' ' A' ' 3' ' ' LEU . 0.8 OUTLIER -56.01 -45.72 78.99 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 178.9 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.465 ' HB ' ' O ' ' B' ' 8' ' ' VAL . 1.2 mt -52.51 -36.19 21.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 178.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -58.56 -56.35 23.32 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.407 -0.808 . . . . 0.0 109.818 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . 0.466 HG21 ' OE1' ' A' ' 2' ' ' GLU . 76.4 t -46.41 -32.17 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.143 -0.973 . . . . 0.0 109.68 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.556 ' CE2' HD22 ' B' ' 27' ' ' LEU . 32.1 t80 -62.65 -47.58 83.1 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.227 -0.921 . . . . 0.0 109.718 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . 0.433 ' O ' ' CG ' ' B' ' 15' ' ' HIS . 0.0 OUTLIER -75.38 -2.72 29.78 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.172 -0.955 . . . . 0.0 109.271 -179.779 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.92 -32.15 12.2 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.168 -0.958 . . . . 0.0 109.141 179.708 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.477 ' CD2' ' CD2' ' B' ' 35' ' ' LEU . 3.4 m-30 -102.92 -57.13 2.1 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.39 -0.819 . . . . 0.0 109.166 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.526 ' HB2' ' CD2' ' B' ' 27' ' ' LEU . 2.8 t -42.77 -34.03 0.85 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.323 -0.86 . . . . 0.0 109.098 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . 0.472 ' HA2' ' HG2' ' B' ' 24' ' ' LYS . . . -73.78 -112.59 0.07 OUTLIER Glycine 0 N--CA 1.489 2.187 0 N-CA-C 109.529 -1.428 . . . . 0.0 109.529 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 48.92 22.23 0.54 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.249 -1.148 . . . . 0.0 109.501 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -162.32 -71.45 0.05 Allowed 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.275 -0.891 . . . . 0.0 109.35 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 174.45 -43.34 0.14 Allowed Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.849 -1.3 . . . . 0.0 109.849 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -49.53 -64.99 0.64 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.29 -1.124 . . . . 0.0 109.647 -179.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.472 ' HG2' ' HA2' ' B' ' 19' ' ' GLY . 39.9 mtpt 58.85 23.71 11.61 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.222 -0.924 . . . . 0.0 109.816 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . 0.425 ' CD2' ' O ' ' B' ' 24' ' ' LYS . 19.5 m170 -142.37 8.83 1.81 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.081 -1.012 . . . . 0.0 109.869 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.55 136.31 18.24 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.199 -0.938 . . . . 0.0 109.165 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.556 HD22 ' CE2' ' B' ' 14' ' ' PHE . 0.3 OUTLIER -98.63 -167.87 1.56 Allowed 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.209 -0.932 . . . . 0.0 109.573 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' B' ' 30' ' ' SER . 0.0 OUTLIER -150.43 129.17 12.37 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 179.767 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.534 ' O ' ' CD2' ' B' ' 60' ' ' LEU . 0.0 OUTLIER -43.52 -24.15 0.1 Allowed 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.077 -1.015 . . . . 0.0 110.166 -179.348 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.433 ' N ' ' O ' ' B' ' 28' ' ' LYS . 1.6 m -77.74 -45.19 25.42 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.859 -1.15 . . . . 0.0 109.894 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.485 ' O ' ' HG2' ' B' ' 34' ' ' GLU . 1.1 tp10 -74.36 -14.97 60.95 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.089 -1.007 . . . . 0.0 108.701 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.497 ' O ' HG13 ' B' ' 36' ' ' ILE . 20.3 tp -81.51 -47.94 12.48 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 107.334 -1.358 . . . . 0.0 107.334 178.373 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 18.2 ttmt -50.82 -42.37 58.3 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 178.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.536 ' HG3' ' N ' ' B' ' 35' ' ' LEU . 5.5 pt-20 -74.71 -44.12 51.61 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 179.495 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.536 ' N ' ' HG3' ' B' ' 34' ' ' GLU . 0.2 OUTLIER -43.81 -41.2 4.87 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 179.525 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.497 HG13 ' O ' ' B' ' 32' ' ' LEU . 0.7 OUTLIER -80.52 -63.96 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.285 -0.884 . . . . 0.0 109.888 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.481 ' HA ' ' HB2' ' B' ' 41' ' ' SER . 38.2 t-20 -66.26 -61.87 1.78 Allowed 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.106 -0.996 . . . . 0.0 110.072 -179.181 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.482 ' HB3' ' O ' ' B' ' 34' ' ' GLU . 10.4 t30 -43.61 -44.43 6.27 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.221 -0.924 . . . . 0.0 110.298 -179.41 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.418 ' HG2' ' HB3' ' A' ' 3' ' ' LEU . 0.5 OUTLIER -92.45 -75.79 0.48 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.982 -1.074 . . . . 0.0 110.814 -179.041 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.472 ' HB2' ' O ' ' B' ' 36' ' ' ILE . 54.4 mt -56.61 -95.17 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.357 0 O-C-N 121.131 -0.981 . . . . 0.0 110.069 -178.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.481 ' HB2' ' HA ' ' B' ' 37' ' ' ASN . 39.1 t 42.31 74.1 0.12 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.196 -0.94 . . . . 0.0 109.667 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -148.98 -46.35 0.14 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.093 -1.004 . . . . 0.0 109.867 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -98.19 91.12 5.1 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.134 -0.979 . . . . 0.0 109.235 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.78 69.68 1.29 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.319 -0.863 . . . . 0.0 109.46 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -130.05 -51.31 1.12 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.225 -0.922 . . . . 0.0 109.584 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 51.4 mp0 -119.29 68.07 0.8 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.418 -0.801 . . . . 0.0 109.433 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 3.6 mt -64.62 127.9 26.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.2 -0.937 . . . . 0.0 109.55 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -98.64 -37.51 9.48 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.236 -0.915 . . . . 0.0 109.231 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.482 ' HB3' ' HB ' ' B' ' 52' ' ' VAL . 15.0 mm-40 -94.82 61.93 2.63 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.28 -0.887 . . . . 0.0 109.292 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . 0.472 ' O ' ' HB2' ' B' ' 54' ' ' ASP . 14.8 tt0 -53.71 -25.59 19.14 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.246 -0.909 . . . . 0.0 109.402 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.468 ' O ' ' HB2' ' B' ' 55' ' ' LYS . 0.7 OUTLIER -74.97 -35.75 62.08 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.31 -0.869 . . . . 0.0 109.719 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.531 ' CG1' ' HB3' ' B' ' 83' ' ' ALA . 54.5 t -65.45 -56.46 15.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.094 -1.004 . . . . 0.0 109.713 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 77.4 t -67.59 -27.83 39.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.253 -0.904 . . . . 0.0 109.664 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . 0.525 ' O ' ' CG ' ' B' ' 58' ' ' GLU . 29.6 m-20 -76.93 -24.14 52.42 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.285 -0.884 . . . . 0.0 109.163 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.468 ' HB2' ' O ' ' B' ' 51' ' ' GLU . 2.1 tmtt? -80.56 -48.34 12.87 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.239 -0.913 . . . . 0.0 109.739 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 21.4 m -71.42 -41.33 73.34 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 O-C-N 121.025 -1.047 . . . . 0.0 109.414 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 60.5 tpp -69.1 -24.32 64.12 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.418 -0.801 . . . . 0.0 109.008 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . 0.525 ' CG ' ' O ' ' B' ' 54' ' ' ASP . 15.7 mt-10 -77.24 -53.54 7.59 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.297 -0.877 . . . . 0.0 109.597 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' THR . . . . . 0.476 ' HA ' ' HB2' ' B' ' 62' ' ' GLU . 49.5 m -63.11 -31.56 72.73 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 179.412 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.534 ' CD2' ' O ' ' B' ' 29' ' ' LYS . 9.6 mt -63.91 -53.92 42.87 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 179.545 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -80.56 -2.59 46.89 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.387 -0.821 . . . . 0.0 109.685 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.476 ' HB2' ' HA ' ' B' ' 59' ' ' THR . 3.5 tt0 -72.52 -45.55 58.83 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.202 -0.937 . . . . 0.0 109.744 -179.638 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.51 ' HB3' ' CD ' ' B' ' 29' ' ' LYS . 58.3 t0 -113.75 -56.04 2.44 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.244 -0.91 . . . . 0.0 109.65 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.86 -45.33 3.5 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -108.07 72.62 0.85 Allowed 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.202 -1.175 . . . . 0.0 109.366 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -133.95 162.81 24.52 Favored Glycine 0 N--CA 1.486 2.008 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -93.48 133.17 37.04 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.181 -1.188 . . . . 0.0 109.728 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.455 ' SG ' ' OE2' ' B' ' 72' ' ' GLU . 73.9 m -119.83 161.45 20.78 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.337 -0.852 . . . . 0.0 108.971 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -98.86 -177.55 3.68 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.207 -0.933 . . . . 0.0 109.139 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.498 ' HA ' ' CE2' ' B' ' 14' ' ' PHE . 0.9 OUTLIER -83.57 -28.59 28.44 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.405 -0.809 . . . . 0.0 109.316 179.771 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . 0.538 ' HG3' ' N ' ' B' ' 72' ' ' GLU . 0.0 OUTLIER -81.42 -27.56 34.67 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.309 -0.87 . . . . 0.0 110.166 -179.781 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.559 ' HG3' ' N ' ' B' ' 73' ' ' PHE . 3.2 pt-20 -74.01 -46.96 40.32 Favored 'General case' 0 C--N 1.307 -1.25 0 O-C-N 120.909 -1.119 . . . . 0.0 108.727 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.559 ' N ' ' HG3' ' B' ' 72' ' ' GLU . 0.0 OUTLIER -65.47 -27.12 68.27 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 178.724 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' MET . . . . . 0.442 ' N ' ' CD1' ' B' ' 73' ' ' PHE . 0.3 OUTLIER -66.53 -52.94 40.4 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.587 -0.696 . . . . 0.0 109.687 -179.749 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.45 ' O ' ' HG3' ' B' ' 79' ' ' MET . . . -71.11 -20.61 62.31 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.205 -0.934 . . . . 0.0 109.229 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.455 ' O ' HG23 ' B' ' 80' ' ' VAL . 1.5 m-85 -76.61 -30.81 57.08 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.314 -0.866 . . . . 0.0 109.259 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.452 ' O ' HG11 ' B' ' 77' ' ' VAL . 87.8 t -74.77 -26.82 19.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.274 -0.891 . . . . 0.0 109.484 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.46 ' HA ' ' HE2' ' A' ' 7' ' ' MET . 0.1 OUTLIER -79.96 -48.87 12.7 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.215 -0.928 . . . . 0.0 110.087 -179.732 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' MET . . . . . 0.45 ' HG3' ' O ' ' B' ' 75' ' ' ALA . 0.4 OUTLIER -52.75 -46.05 67.31 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.211 -0.931 . . . . 0.0 110.282 -179.469 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . 0.476 HG22 HG22 ' B' ' 36' ' ' ILE . 7.4 m -71.11 -40.6 75.48 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 O-C-N 121.131 -0.981 . . . . 0.0 110.632 -179.137 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.484 ' OG1' ' HE1' ' A' ' 7' ' ' MET . 4.2 m -74.29 -2.02 23.26 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.914 -1.116 . . . . 0.0 109.49 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 72.9 p -124.79 -8.68 7.29 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.247 -0.908 . . . . 0.0 109.619 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . 0.531 ' HB3' ' CG1' ' B' ' 52' ' ' VAL . . . -82.39 -26.43 32.85 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.154 -0.966 . . . . 0.0 109.448 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . 0.468 ' O ' ' O ' ' B' ' 83' ' ' ALA . 59.1 m -56.42 -160.68 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.309 -0.87 . . . . 0.0 109.548 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.478 ' CD2' ' N ' ' B' ' 86' ' ' GLU . 1.4 p-80 -63.29 -136.74 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.301 -0.874 . . . . 0.0 109.05 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . 0.532 ' O ' ' CB ' ' B' ' 87' ' ' PHE . 48.6 mt-10 -75.73 -94.7 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.805 -1.184 . . . . 0.0 109.437 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . 0.681 ' CZ ' ' CE2' ' B' ' 88' ' ' PHE . 0.0 OUTLIER 162.86 -104.63 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.279 -0.888 . . . . 0.0 109.466 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.681 ' CE2' ' CZ ' ' B' ' 87' ' ' PHE . 0.0 OUTLIER -46.19 92.07 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.143 -0.973 . . . . 0.0 108.911 -179.905 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.56 ' N ' ' O ' ' B' ' 87' ' ' PHE . 10.0 tp10 -133.05 3.16 3.69 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.235 -0.916 . . . . 0.0 110.058 -178.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -49.97 102.76 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.146 -0.971 . . . . 0.0 109.399 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 117.912 -1.042 . . . . 0.0 109.502 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' MET . . . . . 0.416 ' O ' ' HG2' ' A' ' 0' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.448 ' CB ' ' OE1' ' B' ' 39' ' ' GLU . 33.1 p -128.68 176.44 7.8 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.148 -0.97 . . . . 0.0 109.587 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.542 ' O ' ' CB ' ' A' ' 6' ' ' ALA . 10.4 mm-40 -73.0 -37.4 66.99 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.425 -0.797 . . . . 0.0 109.567 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.536 ' O ' ' CB ' ' A' ' 7' ' ' MET . 4.7 tp -68.84 -41.64 78.23 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.154 -0.966 . . . . 0.0 110.281 -179.581 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.474 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 1.6 tm-20 -71.99 -62.67 1.34 Allowed 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.081 -1.012 . . . . 0.0 110.601 -178.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.467 ' O ' ' HB1' ' A' ' 9' ' ' ALA . 10.9 ptmt -60.67 -37.13 80.55 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.033 -1.042 . . . . 0.0 110.698 -178.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.542 ' CB ' ' O ' ' A' ' 2' ' ' GLU . . . -80.05 -60.4 2.35 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.904 -1.123 . . . . 0.0 110.275 -179.186 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.536 ' CB ' ' O ' ' A' ' 3' ' ' LEU . 10.6 tpt -51.74 -56.36 14.26 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.07 -1.019 . . . . 0.0 109.188 -179.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.474 ' CG2' ' O ' ' A' ' 4' ' ' GLU . 8.3 t -60.02 -27.1 37.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.371 -0.831 . . . . 0.0 109.029 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.471 ' HB1' ' O ' ' A' ' 6' ' ' ALA . . . -64.01 -43.94 94.12 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.456 -0.777 . . . . 0.0 109.346 179.61 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.456 HD22 HD13 ' B' ' 3' ' ' LEU . 0.1 OUTLIER -56.69 -35.13 68.12 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.331 -0.856 . . . . 0.0 108.953 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.592 HG21 ' CE2' ' B' ' 88' ' ' PHE . 1.5 mp -65.1 -33.22 62.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.315 -0.866 . . . . 0.0 108.957 179.493 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -67.73 -54.78 16.62 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.361 -0.837 . . . . 0.0 109.428 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.541 ' CG2' ' HB2' ' B' ' 2' ' ' GLU . 0.6 OUTLIER -53.36 -55.08 14.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.282 -0.886 . . . . 0.0 109.06 179.837 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.589 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 93.9 t80 -43.73 -34.06 1.42 Allowed 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.62 -0.675 . . . . 0.0 110.094 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.518 ' O ' ' N ' ' A' ' 19' ' ' GLY . 1.3 t-80 -81.15 -36.4 30.27 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.052 -1.03 . . . . 0.0 109.89 -179.47 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.87 -49.87 75.74 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.102 -0.999 . . . . 0.0 109.854 -179.721 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.581 ' CE2' HD23 ' A' ' 35' ' ' LEU . 57.6 m-85 -63.35 -40.58 97.66 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.176 -0.952 . . . . 0.0 109.726 -179.627 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.8 t -95.47 11.15 33.94 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.128 -0.983 . . . . 0.0 109.456 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 15' ' ' HIS . . . -93.61 -46.04 3.3 Favored Glycine 0 N--CA 1.489 2.169 0 N-CA-C 109.667 -1.373 . . . . 0.0 109.667 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.488 ' HG3' ' N ' ' A' ' 21' ' ' GLU . 16.7 ptm180 -51.42 -43.02 61.89 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.353 -1.087 . . . . 0.0 109.454 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.488 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -140.3 -163.1 1.45 Allowed 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.342 -0.849 . . . . 0.0 109.532 -179.904 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.54 -147.31 40.24 Favored Glycine 0 N--CA 1.488 2.123 0 N-CA-C 109.409 -1.477 . . . . 0.0 109.409 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.73 18.41 12.64 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.327 -1.102 . . . . 0.0 109.308 179.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.443 ' HG3' ' HA2' ' A' ' 19' ' ' GLY . 0.3 OUTLIER 61.71 12.67 4.78 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.349 -0.844 . . . . 0.0 109.729 179.911 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.5 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 51.8 t-80 -142.32 9.86 1.87 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.169 -0.957 . . . . 0.0 109.635 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.2 pttp -149.04 146.19 27.63 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.036 -1.04 . . . . 0.0 109.741 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 mt -117.72 -162.4 0.87 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.342 -0.849 . . . . 0.0 109.128 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -137.33 139.95 41.18 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.2 -0.938 . . . . 0.0 109.354 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.531 ' O ' ' CD2' ' A' ' 60' ' ' LEU . 0.8 OUTLIER -57.44 -23.14 47.86 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.159 -0.963 . . . . 0.0 109.757 -179.709 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.87 -38.04 33.58 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.984 -1.073 . . . . 0.0 109.52 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.476 ' O ' ' HB2' ' A' ' 35' ' ' LEU . 2.6 tt0 -75.89 -20.35 58.12 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.126 -0.984 . . . . 0.0 108.783 179.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.468 ' O ' HG13 ' A' ' 36' ' ' ILE . 29.0 tp -80.26 -41.83 24.3 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 178.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.488 ' HG3' HD11 ' A' ' 60' ' ' LEU . 15.2 tttt -57.69 -38.3 74.93 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 178.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.567 ' HG3' ' N ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -80.46 -31.82 37.33 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 179.648 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.581 HD23 ' CE2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -56.78 -43.18 80.62 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.771 -0.581 . . . . 0.0 109.877 -179.921 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.53 ' CG2' HG22 ' A' ' 80' ' ' VAL . 0.4 OUTLIER -80.14 -50.64 17.28 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.122 -0.986 . . . . 0.0 110.012 -179.271 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.466 ' O ' ' HB2' ' A' ' 41' ' ' SER . 18.0 t30 -69.49 -3.38 14.36 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.259 -0.901 . . . . 0.0 110.465 -179.123 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 66.3 t30 -106.61 -67.3 0.95 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.957 -1.09 . . . . 0.0 109.743 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.458 ' HB3' ' HB3' ' B' ' 3' ' ' LEU . 5.7 mm-40 -58.62 -65.6 0.63 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.18 -0.95 . . . . 0.0 109.679 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 41' ' ' SER . 28.8 mt -66.92 -93.39 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.187 -0.945 . . . . 0.0 109.622 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.466 ' HB2' ' O ' ' A' ' 37' ' ' ASN . 36.7 t 44.44 39.74 3.37 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.957 -1.089 . . . . 0.0 109.874 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -136.48 16.17 3.16 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.19 -0.944 . . . . 0.0 109.419 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -138.48 39.43 2.24 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.341 -0.849 . . . . 0.0 109.358 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.13 60.28 0.77 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.207 -0.933 . . . . 0.0 109.707 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -87.25 -72.66 0.5 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.227 -0.921 . . . . 0.0 109.45 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.47 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 0.2 OUTLIER -126.58 -33.0 2.58 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.257 -0.902 . . . . 0.0 108.974 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.47 ' HB ' ' O ' ' A' ' 46' ' ' GLU . 14.4 mt 64.99 125.07 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.313 -0.867 . . . . 0.0 109.544 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.35 -28.06 13.47 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.258 -0.901 . . . . 0.0 109.245 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.533 ' HB3' ' CG2' ' A' ' 52' ' ' VAL . 5.7 mm-40 -99.06 68.65 1.7 Allowed 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.31 -0.869 . . . . 0.0 109.362 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.543 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 10.8 tt0 -56.84 -23.63 45.39 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.255 -0.903 . . . . 0.0 109.331 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.453 ' O ' ' CB ' ' A' ' 55' ' ' LYS . 2.5 tt0 -80.11 -32.28 39.1 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.22 -0.925 . . . . 0.0 109.947 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.533 ' CG2' ' HB3' ' A' ' 49' ' ' GLU . 61.4 t -70.87 -47.79 60.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.067 -1.021 . . . . 0.0 109.617 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.419 ' O ' ' CB ' ' A' ' 57' ' ' MET . 63.4 t -76.52 -31.3 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.209 -0.932 . . . . 0.0 109.16 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.543 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 27.6 t70 -79.5 -17.69 53.58 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 179.185 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.453 ' CB ' ' O ' ' A' ' 51' ' ' GLU . 0.9 OUTLIER -80.2 -49.25 11.91 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.372 -0.83 . . . . 0.0 109.073 179.637 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.554 HG13 ' CE2' ' A' ' 76' ' ' PHE . 2.4 m -74.58 -35.07 36.97 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 O-C-N 121.084 -1.01 . . . . 0.0 108.592 179.43 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.419 ' CB ' ' O ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -72.12 -22.52 61.32 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 179.244 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.473 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 10.2 mt-10 -75.31 -55.12 6.02 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.451 -0.781 . . . . 0.0 109.165 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.1 m -60.75 -37.33 81.45 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 107.729 -1.212 . . . . 0.0 107.729 179.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.531 ' CD2' ' O ' ' A' ' 29' ' ' LYS . 14.3 mt -55.69 -57.0 13.8 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -80.4 -1.21 40.39 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.571 -0.706 . . . . 0.0 109.677 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.9 -31.85 68.62 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.105 -0.997 . . . . 0.0 109.585 -179.694 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -132.55 -59.87 0.9 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.226 -0.921 . . . . 0.0 109.686 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 77.9 -5.46 53.27 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.866 -1.294 . . . . 0.0 109.866 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -132.5 37.98 3.47 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.044 -1.268 . . . . 0.0 109.548 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -120.78 -173.31 14.79 Favored Glycine 0 N--CA 1.486 2.024 0 N-CA-C 109.612 -1.395 . . . . 0.0 109.612 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -116.58 158.49 23.6 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.25 -1.147 . . . . 0.0 109.487 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 56.6 m -127.97 179.61 5.48 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.339 -0.851 . . . . 0.0 109.108 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -117.9 174.43 6.2 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.136 -0.978 . . . . 0.0 109.344 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.573 ' CE2' ' HG2' ' A' ' 71' ' ' GLN . 44.8 p90 -74.11 -30.62 62.42 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.326 -0.859 . . . . 0.0 109.14 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.573 ' HG2' ' CE2' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -79.28 -22.97 43.92 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.387 -0.821 . . . . 0.0 108.901 179.341 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.434 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -78.54 -50.34 11.74 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.396 -0.815 . . . . 0.0 109.206 179.85 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.589 ' CE1' ' HB2' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -66.05 -24.21 66.69 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.387 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.485 ' HB2' ' O ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -75.32 -52.22 11.34 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.536 -0.727 . . . . 0.0 109.365 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.466 ' O ' ' HG3' ' A' ' 79' ' ' MET . . . -70.8 -16.21 62.72 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.177 -0.952 . . . . 0.0 108.731 179.631 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.554 ' CE2' HG13 ' A' ' 56' ' ' VAL . 1.2 m-85 -80.59 -42.85 21.56 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.45 -0.781 . . . . 0.0 109.543 179.674 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.467 ' O ' ' OG1' ' A' ' 81' ' ' THR . 97.1 t -67.49 -29.14 44.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.271 -0.893 . . . . 0.0 109.741 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.474 ' O ' ' OG1' ' A' ' 82' ' ' THR . 5.9 m -76.19 -39.09 55.6 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.119 -0.988 . . . . 0.0 109.783 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.527 ' HB3' ' CG1' ' A' ' 52' ' ' VAL . 0.1 OUTLIER -60.98 -50.73 72.2 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.277 -0.889 . . . . 0.0 110.036 -179.708 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.53 HG22 ' CG2' ' A' ' 36' ' ' ILE . 2.5 m -69.36 -39.32 78.73 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.394 0 O-C-N 121.149 -0.969 . . . . 0.0 110.11 -179.276 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.467 ' OG1' ' O ' ' A' ' 77' ' ' VAL . 25.5 m -67.2 -14.08 62.57 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.073 -1.017 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.474 ' OG1' ' O ' ' A' ' 78' ' ' SER . 2.2 p -103.94 -13.21 16.43 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.287 -0.883 . . . . 0.0 109.329 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -84.11 43.89 0.97 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.249 -0.907 . . . . 0.0 109.636 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 30.3 m -79.23 -172.98 3.41 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.102 -0.999 . . . . 0.0 109.472 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.492 ' NE2' ' OE2' ' A' ' 86' ' ' GLU . 25.8 t60 -83.49 -93.98 0.07 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.178 -0.951 . . . . 0.0 109.731 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.492 ' OE2' ' NE2' ' A' ' 85' ' ' HIS . 0.4 OUTLIER -72.51 -84.72 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.166 -0.959 . . . . 0.0 109.605 -179.72 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.499 ' CE2' ' CE2' ' A' ' 88' ' ' PHE . 3.5 t80 -166.24 84.65 0.3 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.143 -0.973 . . . . 0.0 109.852 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.598 ' CE2' HG21 ' B' ' 11' ' ' ILE . 5.7 m-85 63.83 34.22 12.04 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.22 -0.925 . . . . 0.0 109.688 179.424 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 91' ' ' GLU . 14.1 tt0 62.89 7.91 2.86 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.338 -0.851 . . . . 0.0 110.517 179.542 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.465 ' C ' ' O ' ' A' ' 89' ' ' GLU . 2.1 t60 37.64 29.16 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.283 -0.886 . . . . 0.0 110.338 179.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.508 ' N ' ' O ' ' A' ' 89' ' ' GLU . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 118.018 -0.992 . . . . 0.0 109.549 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 0' ' ' MET . . . . . 0.41 ' O ' ' HG2' ' B' ' 0' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.435 ' CB ' ' OE1' ' A' ' 39' ' ' GLU . 33.4 p -128.66 176.42 7.81 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.187 -0.945 . . . . 0.0 109.634 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.547 ' O ' ' CB ' ' B' ' 6' ' ' ALA . 10.4 mm-40 -73.0 -37.35 67.0 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.407 -0.808 . . . . 0.0 109.53 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.538 ' O ' ' CB ' ' B' ' 7' ' ' MET . 4.7 tp -68.89 -41.71 77.93 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.089 -1.007 . . . . 0.0 110.258 -179.578 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.469 ' O ' ' CG2' ' B' ' 8' ' ' VAL . 1.6 tm-20 -71.94 -62.58 1.37 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.226 -0.921 . . . . 0.0 110.62 -178.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.467 ' O ' ' HB1' ' B' ' 9' ' ' ALA . 11.0 ptmt -60.7 -37.2 80.86 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.024 -1.048 . . . . 0.0 110.753 -178.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . 0.547 ' CB ' ' O ' ' B' ' 2' ' ' GLU . . . -79.89 -60.43 2.34 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.927 -1.108 . . . . 0.0 110.365 -179.294 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' MET . . . . . 0.538 ' CB ' ' O ' ' B' ' 3' ' ' LEU . 10.6 tpt -51.64 -56.41 13.79 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.028 -1.045 . . . . 0.0 109.19 -179.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . 0.469 ' CG2' ' O ' ' B' ' 4' ' ' GLU . 8.5 t -60.12 -27.07 38.2 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.552 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . 0.473 ' HB1' ' O ' ' B' ' 6' ' ' ALA . . . -63.96 -43.96 94.22 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.417 -0.802 . . . . 0.0 109.293 179.635 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.45 HD22 ' CD1' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -56.68 -35.04 67.99 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.33 -0.856 . . . . 0.0 109.124 179.915 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.598 HG21 ' CE2' ' A' ' 88' ' ' PHE . 1.5 mp -65.16 -33.05 61.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.197 -0.939 . . . . 0.0 109.001 179.425 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -67.8 -54.79 16.33 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.355 -0.841 . . . . 0.0 109.466 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . 0.537 ' CG2' ' HB2' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -53.47 -54.95 15.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.351 -0.843 . . . . 0.0 109.091 179.855 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.589 ' HB2' ' CE1' ' B' ' 73' ' ' PHE . 93.7 t80 -43.62 -34.24 1.39 Allowed 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.589 -0.694 . . . . 0.0 110.15 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . 0.523 ' O ' ' N ' ' B' ' 19' ' ' GLY . 1.3 t-80 -81.11 -36.35 30.45 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.075 -1.015 . . . . 0.0 109.848 -179.397 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.79 -49.97 75.35 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.157 -0.965 . . . . 0.0 109.846 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.575 ' CZ ' HD23 ' B' ' 35' ' ' LEU . 57.9 m-85 -63.23 -40.64 98.01 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.142 -0.974 . . . . 0.0 109.8 -179.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 9.7 t -95.52 11.17 33.97 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.022 -1.048 . . . . 0.0 109.342 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' B' ' 15' ' ' HIS . . . -93.56 -46.16 3.28 Favored Glycine 0 N--CA 1.487 2.072 0 N-CA-C 109.691 -1.364 . . . . 0.0 109.691 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.486 ' HG3' ' N ' ' B' ' 21' ' ' GLU . 16.8 ptm180 -51.31 -43.15 61.61 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.23 -1.159 . . . . 0.0 109.391 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.486 ' N ' ' HG3' ' B' ' 20' ' ' ARG . 0.2 OUTLIER -140.27 -163.06 1.44 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.317 -0.864 . . . . 0.0 109.604 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.5 -147.42 40.49 Favored Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.437 -1.465 . . . . 0.0 109.437 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.63 18.35 12.72 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.181 -1.188 . . . . 0.0 109.281 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.443 ' HG3' ' HA2' ' B' ' 19' ' ' GLY . 0.3 OUTLIER 61.73 12.49 4.68 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.4 -0.812 . . . . 0.0 109.775 179.892 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . 0.501 ' CG ' ' O ' ' B' ' 25' ' ' HIS . 51.8 t-80 -142.14 9.85 1.91 Allowed 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.153 -0.967 . . . . 0.0 109.677 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 3.2 pttp -149.03 146.25 27.67 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.136 -0.977 . . . . 0.0 109.645 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 3.9 mt -117.79 -162.44 0.88 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.231 -0.918 . . . . 0.0 109.084 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -137.36 140.0 41.15 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.151 -0.968 . . . . 0.0 109.269 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.536 ' O ' ' CD2' ' B' ' 60' ' ' LEU . 0.8 OUTLIER -57.44 -23.19 48.2 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.124 -0.985 . . . . 0.0 109.728 -179.725 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.84 -38.09 33.57 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.03 -1.044 . . . . 0.0 109.479 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.47 ' O ' ' HB2' ' B' ' 35' ' ' LEU . 2.6 tt0 -75.85 -20.24 58.27 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.199 -0.938 . . . . 0.0 108.853 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.459 ' O ' HG13 ' B' ' 36' ' ' ILE . 29.1 tp -80.29 -41.72 24.42 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 178.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.481 ' HA ' HD12 ' B' ' 60' ' ' LEU . 15.3 tttt -57.93 -38.14 75.39 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 178.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.566 ' HG3' ' N ' ' B' ' 35' ' ' LEU . 0.0 OUTLIER -80.41 -31.88 37.56 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.534 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.575 HD23 ' CZ ' ' B' ' 17' ' ' TYR . 0.0 OUTLIER -56.83 -43.15 80.78 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.793 -0.567 . . . . 0.0 109.858 -179.866 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.523 ' CG2' HG22 ' B' ' 80' ' ' VAL . 0.4 OUTLIER -80.1 -50.52 17.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.128 -0.982 . . . . 0.0 110.098 -179.309 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.468 ' O ' ' HB2' ' B' ' 41' ' ' SER . 18.1 t30 -69.57 -3.27 14.12 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.241 -0.912 . . . . 0.0 110.507 -179.158 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' B' ' 34' ' ' GLU . 66.3 t30 -106.72 -67.32 0.95 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.974 -1.079 . . . . 0.0 109.631 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.457 ' HB3' ' HB3' ' A' ' 3' ' ' LEU . 5.7 mm-40 -58.58 -65.62 0.63 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.206 -0.934 . . . . 0.0 109.662 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' B' ' 41' ' ' SER . 28.6 mt -66.82 -93.37 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.212 -0.93 . . . . 0.0 109.662 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.468 ' HB2' ' O ' ' B' ' 37' ' ' ASN . 36.6 t 44.45 39.71 3.37 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.047 -1.033 . . . . 0.0 109.829 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -136.54 16.19 3.15 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.128 -0.983 . . . . 0.0 109.322 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -138.41 39.4 2.26 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.366 -0.834 . . . . 0.0 109.439 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.11 60.22 0.77 Allowed 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.207 -0.933 . . . . 0.0 109.65 -179.721 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -87.24 -72.67 0.5 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.161 -0.962 . . . . 0.0 109.402 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.467 ' O ' ' HB ' ' B' ' 47' ' ' ILE . 0.2 OUTLIER -126.57 -33.03 2.58 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.333 -0.855 . . . . 0.0 108.945 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.467 ' HB ' ' O ' ' B' ' 46' ' ' GLU . 14.4 mt 65.07 125.09 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.301 -0.874 . . . . 0.0 109.473 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.37 -28.04 13.47 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.283 -0.885 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.534 ' HB3' ' CG2' ' B' ' 52' ' ' VAL . 5.8 mm-40 -99.05 68.7 1.71 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.295 -0.878 . . . . 0.0 109.387 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . 0.537 ' O ' ' CB ' ' B' ' 54' ' ' ASP . 10.8 tt0 -56.8 -23.65 45.04 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.265 -0.897 . . . . 0.0 109.38 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.45 ' O ' ' CB ' ' B' ' 55' ' ' LYS . 2.5 tt0 -80.15 -32.19 38.92 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.199 -0.938 . . . . 0.0 109.877 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.534 ' CG2' ' HB3' ' B' ' 49' ' ' GLU . 63.3 t -71.05 -47.79 59.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.138 -0.976 . . . . 0.0 109.468 -179.707 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.412 ' O ' ' CB ' ' B' ' 57' ' ' MET . 63.6 t -76.37 -31.39 20.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.258 -0.901 . . . . 0.0 109.186 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . 0.537 ' CB ' ' O ' ' B' ' 50' ' ' GLN . 27.5 t70 -79.55 -17.61 53.61 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 179.262 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.45 ' CB ' ' O ' ' B' ' 51' ' ' GLU . 0.9 OUTLIER -80.2 -49.3 11.83 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.354 -0.841 . . . . 0.0 109.094 179.626 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.558 HG13 ' CE2' ' B' ' 76' ' ' PHE . 2.5 m -74.48 -35.11 37.72 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 O-C-N 121.238 -0.914 . . . . 0.0 108.618 179.384 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.412 ' CB ' ' O ' ' B' ' 53' ' ' VAL . 0.0 OUTLIER -72.07 -22.51 61.36 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 179.268 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . 0.462 ' HB2' ' O ' ' B' ' 54' ' ' ASP . 10.1 mt-10 -75.37 -55.07 6.06 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.444 -0.785 . . . . 0.0 109.171 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 3.1 m -60.73 -37.37 81.54 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 179.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.536 ' CD2' ' O ' ' B' ' 29' ' ' LYS . 14.3 mt -55.72 -57.01 13.78 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 178.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -80.37 -1.25 40.45 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.629 -0.669 . . . . 0.0 109.612 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.92 -31.75 68.46 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.154 -0.966 . . . . 0.0 109.556 -179.601 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -132.62 -59.92 0.89 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.231 -0.918 . . . . 0.0 109.56 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 77.89 -5.5 52.98 Favored Glycine 0 N--CA 1.489 2.206 0 N-CA-C 109.889 -1.285 . . . . 0.0 109.889 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -132.39 37.88 3.49 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.094 -1.239 . . . . 0.0 109.569 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -120.81 -173.33 14.78 Favored Glycine 0 N--CA 1.488 2.12 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -116.53 158.43 23.64 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.21 -1.17 . . . . 0.0 109.508 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 56.7 m -127.95 179.58 5.49 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.328 -0.858 . . . . 0.0 109.122 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -117.89 174.46 6.18 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.136 -0.977 . . . . 0.0 109.3 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.576 ' CE2' ' HG2' ' B' ' 71' ' ' GLN . 44.8 p90 -74.16 -30.55 62.32 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.35 -0.844 . . . . 0.0 109.14 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . 0.576 ' HG2' ' CE2' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -79.42 -22.92 43.61 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.36 -0.838 . . . . 0.0 108.774 179.487 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.434 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 0.1 OUTLIER -78.54 -50.46 11.53 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.428 -0.795 . . . . 0.0 109.169 179.902 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.589 ' CE1' ' HB2' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -66.01 -24.12 66.7 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 179.35 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' MET . . . . . 0.477 ' HB2' ' O ' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -75.31 -52.24 11.31 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.53 -0.731 . . . . 0.0 109.407 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.461 ' O ' ' HG3' ' B' ' 79' ' ' MET . . . -70.65 -16.37 62.81 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.216 -0.927 . . . . 0.0 108.751 179.582 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.558 ' CE2' HG13 ' B' ' 56' ' ' VAL . 1.2 m-85 -80.5 -42.85 21.77 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.384 -0.823 . . . . 0.0 109.591 179.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.471 ' O ' ' OG1' ' B' ' 81' ' ' THR . 98.2 t -67.51 -29.13 44.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.299 -0.875 . . . . 0.0 109.689 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.466 ' O ' ' OG1' ' B' ' 82' ' ' THR . 5.9 m -76.2 -39.08 55.56 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.261 -0.899 . . . . 0.0 109.786 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' MET . . . . . 0.528 ' HB3' ' CG1' ' B' ' 52' ' ' VAL . 0.1 OUTLIER -60.86 -50.86 71.73 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.302 -0.874 . . . . 0.0 110.006 -179.74 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . 0.523 HG22 ' CG2' ' B' ' 36' ' ' ILE . 2.6 m -69.23 -39.36 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.178 -0.951 . . . . 0.0 110.188 -179.297 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.471 ' OG1' ' O ' ' B' ' 77' ' ' VAL . 25.5 m -67.19 -14.11 62.59 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.992 -1.067 . . . . 0.0 109.335 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.477 ' HB ' ' HG2' ' A' ' 71' ' ' GLN . 2.2 p -103.85 -13.28 16.46 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.285 -0.884 . . . . 0.0 109.286 179.66 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -84.04 43.84 0.96 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.217 -0.927 . . . . 0.0 109.702 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 30.4 m -79.18 -172.96 3.39 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.253 -0.905 . . . . 0.0 109.448 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.504 ' NE2' ' OE2' ' B' ' 86' ' ' GLU . 25.8 t60 -83.58 -94.04 0.07 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.213 -0.929 . . . . 0.0 109.722 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . 0.504 ' OE2' ' NE2' ' B' ' 85' ' ' HIS . 0.4 OUTLIER -72.32 -84.76 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.19 -0.944 . . . . 0.0 109.696 -179.801 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . 0.506 ' CE2' ' CE2' ' B' ' 88' ' ' PHE . 3.6 t80 -166.28 84.73 0.3 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.109 -0.995 . . . . 0.0 109.763 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.592 ' CE2' HG21 ' A' ' 11' ' ' ILE . 5.7 m-85 63.75 34.21 12.26 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.294 -0.879 . . . . 0.0 109.768 179.431 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.502 ' O ' ' N ' ' B' ' 91' ' ' GLU . 14.0 tt0 62.9 7.86 2.84 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.243 -0.911 . . . . 0.0 110.527 179.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . 0.46 ' C ' ' O ' ' B' ' 89' ' ' GLU . 2.1 t60 37.68 29.13 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.41 -0.806 . . . . 0.0 110.376 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' B' ' 89' ' ' GLU . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.589 0 O-C-N 121.085 -1.01 . . . . 0.0 109.459 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.8 t -143.06 152.98 42.47 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.272 -0.893 . . . . 0.0 109.421 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.543 ' HB2' ' CG2' ' B' ' 13' ' ' VAL . 55.4 mm-40 -73.99 -43.07 59.32 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.275 -0.89 . . . . 0.0 109.435 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.496 HD23 ' CD1' ' B' ' 35' ' ' LEU . 3.3 tp -65.56 -38.98 91.11 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.347 -0.845 . . . . 0.0 110.053 -179.548 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.531 ' O ' HG22 ' A' ' 8' ' ' VAL . 1.1 tm-20 -66.33 -56.28 11.89 Favored 'General case' 0 C--N 1.295 -1.766 0 O-C-N 120.939 -1.101 . . . . 0.0 110.32 -178.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.536 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 8.6 ptmt -62.06 -28.82 69.87 Favored 'General case' 0 C--N 1.297 -1.688 0 O-C-N 120.643 -1.286 . . . . 0.0 109.673 -179.484 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.547 ' HA ' ' HA ' ' B' ' 6' ' ' ALA . . . -81.33 -73.58 0.37 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.106 -0.996 . . . . 0.0 110.361 -179.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.543 ' HB3' ' OE2' ' B' ' 39' ' ' GLU . 9.6 tpp -49.5 -54.47 17.72 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.599 -0.688 . . . . 0.0 109.776 -179.519 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.531 HG22 ' O ' ' A' ' 4' ' ' GLU . 6.6 t -62.34 -29.8 47.54 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.576 0 O-C-N 121.405 -0.809 . . . . 0.0 110.231 -179.072 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.536 ' CB ' ' O ' ' A' ' 5' ' ' LYS . . . -64.86 -37.47 87.73 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.656 -1.278 . . . . 0.0 108.935 179.668 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.5 ' N ' ' HB3' ' B' ' 6' ' ' ALA . 0.2 OUTLIER -55.64 -50.51 70.02 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.301 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.59 HG22 ' CG ' ' B' ' 87' ' ' PHE . 28.0 mm -49.2 -34.34 7.01 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 178.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.441 ' HB3' ' O ' ' A' ' 9' ' ' ALA . 36.5 t0 -57.71 -53.63 56.0 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 179.294 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.526 ' CG2' ' HB2' ' B' ' 2' ' ' GLU . 67.4 t -48.25 -30.96 2.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.328 -0.857 . . . . 0.0 109.032 179.548 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.682 ' CE1' ' CD2' ' A' ' 73' ' ' PHE . 0.3 OUTLIER -61.31 -47.62 85.1 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.272 -0.893 . . . . 0.0 109.529 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.427 ' O ' ' HA3' ' A' ' 19' ' ' GLY . 6.1 m-70 -64.9 -10.75 31.1 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.248 -0.907 . . . . 0.0 109.545 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -93.93 -71.26 0.67 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.241 -0.912 . . . . 0.0 109.697 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.424 ' O ' ' HG2' ' A' ' 20' ' ' ARG . 58.0 m-85 -67.75 -51.93 43.32 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.327 -0.858 . . . . 0.0 109.729 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.483 ' HB2' ' HG ' ' A' ' 27' ' ' LEU . 8.3 t -84.03 -3.46 58.04 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.146 -0.971 . . . . 0.0 109.817 -179.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.427 ' HA3' ' O ' ' A' ' 15' ' ' HIS . . . -108.75 39.15 3.01 Favored Glycine 0 N--CA 1.488 2.136 0 N-CA-C 109.761 -1.335 . . . . 0.0 109.761 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.424 ' HG2' ' O ' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -132.92 0.24 3.48 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.231 -1.158 . . . . 0.0 109.84 -179.871 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.469 ' O ' ' O ' ' A' ' 22' ' ' GLY . 3.3 tt0 -170.14 -55.93 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.096 -1.002 . . . . 0.0 109.697 -179.723 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.469 ' O ' ' O ' ' A' ' 21' ' ' GLU . . . -55.73 -162.38 0.02 OUTLIER Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.654 -1.378 . . . . 0.0 109.654 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.61 24.68 1.64 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.188 -1.183 . . . . 0.0 109.81 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.5 mttm 61.05 18.74 9.26 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.123 -0.986 . . . . 0.0 109.476 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.51 ' CD2' ' CD2' ' B' ' 88' ' ' PHE . 30.4 m80 -153.58 18.88 0.54 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.254 -0.904 . . . . 0.0 109.538 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -150.04 129.61 13.1 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.249 -0.907 . . . . 0.0 109.258 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.547 ' CD2' ' HB3' ' A' ' 31' ' ' GLU . 0.2 OUTLIER -105.12 -157.1 0.6 Allowed 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.364 -0.835 . . . . 0.0 109.412 -179.781 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.521 ' O ' ' CB ' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -145.53 170.51 16.26 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.305 -0.872 . . . . 0.0 108.939 179.838 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.482 ' HD2' ' HA3' ' A' ' 66' ' ' GLY . 4.1 mtpm? -79.01 -28.35 43.34 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.169 -0.957 . . . . 0.0 109.097 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.5 t -79.41 -35.45 40.57 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.459 -0.775 . . . . 0.0 109.422 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.547 ' HB3' ' CD2' ' A' ' 27' ' ' LEU . 0.4 OUTLIER -86.85 -21.1 26.6 Favored 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 179.197 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.521 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 23.3 tp -78.77 -35.19 44.87 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 107.427 -1.324 . . . . 0.0 107.427 178.307 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.405 ' HA ' HD12 ' A' ' 60' ' ' LEU . 7.3 ttpp -62.37 -44.28 96.83 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 178.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.517 ' HG3' ' N ' ' A' ' 35' ' ' LEU . 5.9 pt-20 -68.42 -40.28 81.28 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 179.159 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.517 ' N ' ' HG3' ' A' ' 34' ' ' GLU . 0.1 OUTLIER -49.89 -50.91 44.25 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 179.154 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.541 ' CG2' HG22 ' A' ' 80' ' ' VAL . 0.7 OUTLIER -64.51 -56.92 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 CA-C-O 121.813 0.816 . . . . 0.0 109.196 179.66 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.492 ' ND2' ' O ' ' A' ' 37' ' ' ASN . 4.8 t30 -63.87 1.94 0.57 Allowed 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.441 -0.787 . . . . 0.0 110.615 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.429 ' H ' ' C ' ' A' ' 36' ' ' ILE . 4.4 t30 -87.01 -52.05 5.67 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.697 -1.252 . . . . 0.0 108.713 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.57 ' HG2' ' N ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -106.14 -49.68 3.32 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 179.352 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.614 ' CD2' ' CG2' ' A' ' 80' ' ' VAL . 9.2 mp -58.29 -44.61 88.59 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.596 -0.69 . . . . 0.0 109.945 -178.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.487 ' HB3' ' O ' ' A' ' 37' ' ' ASN . 2.1 t -41.63 -28.18 0.13 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.531 -0.731 . . . . 0.0 109.562 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.442 ' N ' ' O ' ' A' ' 40' ' ' LEU . 1.5 t-80 -58.41 -54.34 48.09 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.203 -0.936 . . . . 0.0 109.47 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.521 ' CD1' ' N ' ' A' ' 43' ' ' PHE . 0.8 OUTLIER -75.44 0.69 16.21 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.134 -0.979 . . . . 0.0 109.732 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.414 ' HB2' ' HA ' ' A' ' 41' ' ' SER . 2.6 tt -75.06 106.02 6.37 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.19 -0.944 . . . . 0.0 109.632 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.49 -45.1 0.11 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.403 -0.811 . . . . 0.0 109.245 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -123.41 -40.97 2.32 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.324 -0.86 . . . . 0.0 109.04 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 70.0 mt 60.16 85.77 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.479 -0.763 . . . . 0.0 109.811 179.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.7 tttm -61.57 -41.9 98.07 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.2 -0.938 . . . . 0.0 108.98 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.459 ' HB3' ' HB ' ' A' ' 52' ' ' VAL . 8.3 mm-40 -89.89 77.23 7.0 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.456 -0.778 . . . . 0.0 109.083 179.616 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.466 ' O ' ' HB2' ' A' ' 54' ' ' ASP . 4.9 tt0 -62.92 -26.72 68.94 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.266 -0.896 . . . . 0.0 109.694 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -76.41 -28.94 56.87 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.088 -1.008 . . . . 0.0 109.661 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.459 ' HB ' ' HB3' ' A' ' 49' ' ' GLU . 81.8 t -72.89 -51.29 27.68 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.126 -0.984 . . . . 0.0 109.609 -179.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.453 HG21 HG11 ' A' ' 80' ' ' VAL . 77.4 t -72.55 -28.0 27.09 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.176 -0.953 . . . . 0.0 109.309 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.471 ' O ' ' HG3' ' A' ' 58' ' ' GLU . 1.2 m-20 -77.29 -20.15 55.46 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.146 -0.971 . . . . 0.0 108.734 179.375 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.06 -53.72 6.72 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.328 -0.858 . . . . 0.0 109.023 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.518 ' CG1' ' SD ' ' A' ' 79' ' ' MET . 11.4 m -67.4 -41.0 85.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.098 -1.001 . . . . 0.0 108.84 179.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -66.86 -24.77 66.17 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' A' ' 54' ' ' ASP . 0.3 OUTLIER -72.41 -55.18 7.46 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.415 -0.803 . . . . 0.0 109.214 179.623 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.63 -27.33 68.59 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.075 -1.016 . . . . 0.0 108.362 179.356 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 33' ' ' LYS . 9.7 mt -65.77 -52.81 47.8 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.684 -0.635 . . . . 0.0 109.456 179.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.74 -14.87 61.2 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.538 -0.726 . . . . 0.0 110.001 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -66.1 -63.4 1.09 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.153 -0.967 . . . . 0.0 109.642 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.464 ' HB2' ' HE3' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -82.38 -68.91 0.66 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.348 -0.845 . . . . 0.0 109.623 -179.875 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 90.74 -39.88 3.05 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.531 -1.427 . . . . 0.0 109.531 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -124.36 49.45 1.8 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.232 -1.158 . . . . 0.0 109.335 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.482 ' HA3' ' HD2' ' A' ' 29' ' ' LYS . . . -108.94 -171.13 20.9 Favored Glycine 0 N--CA 1.486 1.991 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -124.78 142.18 51.59 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.252 -1.146 . . . . 0.0 109.586 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 56.1 m -113.42 162.68 15.82 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.257 -0.902 . . . . 0.0 109.372 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -92.68 172.29 8.45 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.218 -0.926 . . . . 0.0 109.455 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.615 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 24.8 p90 -70.13 -39.12 75.61 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.222 -0.924 . . . . 0.0 109.319 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.615 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -78.49 -29.31 46.63 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.274 -0.891 . . . . 0.0 109.381 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.87 -59.0 3.63 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.135 -0.978 . . . . 0.0 109.0 179.588 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.682 ' CD2' ' CE1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -51.23 -22.08 2.47 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.223 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.568 ' HA ' ' CE ' ' A' ' 74' ' ' MET . 0.6 OUTLIER -74.56 -64.45 1.03 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.373 -0.829 . . . . 0.0 109.794 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.496 ' O ' ' HG2' ' A' ' 79' ' ' MET . . . -58.99 -15.28 12.29 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.426 -0.796 . . . . 0.0 109.571 -179.365 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.501 ' O ' HG23 ' A' ' 80' ' ' VAL . 0.1 OUTLIER -79.64 -46.85 16.42 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.496 -0.753 . . . . 0.0 109.345 179.673 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.496 ' O ' ' OG1' ' A' ' 81' ' ' THR . 76.6 t -63.97 -27.93 43.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.368 -0.832 . . . . 0.0 110.225 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.44 ' HA ' ' HE2' ' B' ' 7' ' ' MET . 16.4 m -80.2 -45.76 17.49 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.115 -0.991 . . . . 0.0 111.341 -178.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.518 ' SD ' ' CG1' ' A' ' 56' ' ' VAL . 5.3 ptm -56.77 -38.23 72.2 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.91 -1.119 . . . . 0.0 111.15 -178.373 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.614 ' CG2' ' CD2' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -77.73 -33.36 18.82 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.026 -1.046 . . . . 0.0 110.823 -179.12 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.532 ' N ' HD22 ' A' ' 40' ' ' LEU . 1.7 m -65.31 -13.87 59.47 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 120.726 -1.234 . . . . 0.0 109.628 -179.547 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.468 ' CG2' ' HA ' ' B' ' 71' ' ' GLN . 1.5 p -105.1 -14.68 15.31 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.221 -0.924 . . . . 0.0 109.426 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.441 ' HB3' ' CG1' ' A' ' 52' ' ' VAL . . . -101.23 4.48 41.89 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.329 -0.857 . . . . 0.0 109.453 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.466 ' O ' ' CB ' ' A' ' 85' ' ' HIS . 36.1 m -94.13 -22.73 18.29 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.226 -0.921 . . . . 0.0 109.53 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.555 ' O ' ' CB ' ' A' ' 86' ' ' GLU . 0.2 OUTLIER 72.81 -153.13 0.07 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.347 -0.846 . . . . 0.0 109.266 -179.824 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.555 ' CB ' ' O ' ' A' ' 85' ' ' HIS . 0.5 OUTLIER 81.85 -68.29 0.09 Allowed 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 -179.633 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.568 ' CZ ' HG21 ' B' ' 11' ' ' ILE . 0.0 OUTLIER -61.32 -37.46 83.34 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.278 -0.889 . . . . 0.0 108.818 179.547 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.468 ' CE1' ' CD2' ' A' ' 87' ' ' PHE . 87.2 m-85 -71.23 -16.38 62.49 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.386 -0.821 . . . . 0.0 109.748 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.523 ' O ' ' CB ' ' A' ' 90' ' ' HIS . 1.7 mm-40 -79.38 -5.61 54.99 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.234 -0.916 . . . . 0.0 109.584 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.523 ' CB ' ' O ' ' A' ' 89' ' ' GLU . 1.9 t-80 78.49 -4.45 2.16 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.34 -0.85 . . . . 0.0 110.186 179.593 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 57.6 tt0 . . . . . 0 N--CA 1.491 1.621 0 O-C-N 121.027 -1.046 . . . . 0.0 109.379 179.734 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 1.8 t -143.06 152.84 42.32 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.231 -0.918 . . . . 0.0 109.475 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.526 ' HB2' ' CG2' ' A' ' 13' ' ' VAL . 55.6 mm-40 -73.88 -42.93 59.99 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.233 -0.917 . . . . 0.0 109.532 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.499 ' HG ' ' OE1' ' A' ' 39' ' ' GLU . 3.3 tp -65.61 -38.99 91.02 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.346 -0.847 . . . . 0.0 110.108 -179.608 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.522 ' O ' HG22 ' B' ' 8' ' ' VAL . 1.1 tm-20 -66.34 -56.25 12.01 Favored 'General case' 0 C--N 1.294 -1.826 0 O-C-N 120.973 -1.079 . . . . 0.0 110.31 -178.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.539 ' O ' ' CB ' ' B' ' 9' ' ' ALA . 8.6 ptmt -62.09 -28.77 69.85 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 120.704 -1.248 . . . . 0.0 109.694 -179.498 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . 0.547 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . . . -81.3 -73.54 0.37 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.119 -0.988 . . . . 0.0 110.33 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' MET . . . . . 0.565 ' HB3' ' OE2' ' A' ' 39' ' ' GLU . 9.5 tpp -49.62 -54.36 18.86 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.537 -0.727 . . . . 0.0 109.757 -179.417 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . 0.522 HG22 ' O ' ' B' ' 4' ' ' GLU . 6.7 t -62.52 -29.75 47.56 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.593 0 O-C-N 121.305 -0.872 . . . . 0.0 110.197 -179.028 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . 0.539 ' CB ' ' O ' ' B' ' 5' ' ' LYS . . . -64.85 -37.37 87.41 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.729 -1.232 . . . . 0.0 108.903 179.671 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.508 ' N ' ' HB3' ' A' ' 6' ' ' ALA . 0.2 OUTLIER -55.76 -50.58 70.01 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 179.263 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.568 HG21 ' CZ ' ' A' ' 87' ' ' PHE . 28.1 mm -49.07 -34.38 6.52 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 178.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . 0.437 ' HB3' ' O ' ' B' ' 9' ' ' ALA . 36.5 t0 -57.66 -53.62 56.1 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 179.262 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . 0.543 ' CG2' ' HB2' ' A' ' 2' ' ' GLU . 67.4 t -48.34 -30.93 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.375 -0.828 . . . . 0.0 108.954 179.63 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.681 ' CE1' ' CD2' ' B' ' 73' ' ' PHE . 0.3 OUTLIER -61.25 -47.73 84.69 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.215 -0.928 . . . . 0.0 109.39 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . 0.43 ' O ' ' HA3' ' B' ' 19' ' ' GLY . 6.1 m-70 -64.85 -10.77 30.84 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.198 -0.939 . . . . 0.0 109.557 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -93.9 -71.26 0.67 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.314 -0.866 . . . . 0.0 109.661 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.431 ' O ' ' HG2' ' B' ' 20' ' ' ARG . 57.8 m-85 -67.81 -51.88 43.46 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.306 -0.871 . . . . 0.0 109.858 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.482 ' HB2' ' HG ' ' B' ' 27' ' ' LEU . 8.4 t -83.98 -3.43 57.99 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.225 -0.922 . . . . 0.0 109.83 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . 0.43 ' HA3' ' O ' ' B' ' 15' ' ' HIS . . . -108.83 39.27 2.96 Favored Glycine 0 N--CA 1.488 2.106 0 N-CA-C 109.702 -1.359 . . . . 0.0 109.702 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.431 ' HG2' ' O ' ' B' ' 17' ' ' TYR . 0.0 OUTLIER -132.92 0.25 3.48 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.182 -1.187 . . . . 0.0 109.801 -179.9 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.477 ' O ' ' O ' ' B' ' 22' ' ' GLY . 3.3 tt0 -170.12 -56.02 0.02 OUTLIER 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.066 -1.021 . . . . 0.0 109.706 -179.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . 0.477 ' O ' ' O ' ' B' ' 21' ' ' GLU . . . -55.65 -162.36 0.02 OUTLIER Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.661 -1.376 . . . . 0.0 109.661 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.58 24.63 1.64 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.245 -1.15 . . . . 0.0 109.711 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 11.6 mttm 60.92 18.74 9.11 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.159 -0.963 . . . . 0.0 109.485 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . 0.433 ' CD2' ' CD2' ' A' ' 88' ' ' PHE . 30.4 m80 -153.45 18.87 0.55 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.25 -0.906 . . . . 0.0 109.62 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -150.03 129.56 13.06 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.305 -0.872 . . . . 0.0 109.192 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.537 ' CD2' ' HB3' ' B' ' 31' ' ' GLU . 0.2 OUTLIER -105.05 -157.13 0.6 Allowed 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.272 -0.893 . . . . 0.0 109.352 -179.77 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.521 ' O ' ' CB ' ' B' ' 32' ' ' LEU . 0.1 OUTLIER -145.51 170.54 16.2 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.815 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.489 ' HD2' ' HA3' ' B' ' 66' ' ' GLY . 4.1 mtpm? -79.03 -28.38 43.29 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.179 -0.95 . . . . 0.0 109.1 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 5.5 t -79.36 -35.32 41.06 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.333 -0.855 . . . . 0.0 109.504 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.537 ' HB3' ' CD2' ' B' ' 27' ' ' LEU . 0.4 OUTLIER -86.95 -21.05 26.46 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 179.179 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.521 ' CB ' ' O ' ' B' ' 28' ' ' LYS . 23.2 tp -78.81 -35.13 44.69 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 178.365 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 7.4 ttpp -62.42 -44.25 96.87 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 178.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.516 ' HG3' ' N ' ' B' ' 35' ' ' LEU . 5.9 pt-20 -68.41 -40.23 81.33 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 179.197 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.516 ' N ' ' HG3' ' B' ' 34' ' ' GLU . 0.1 OUTLIER -49.91 -51.1 43.37 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 179.145 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.543 ' CG2' HG22 ' B' ' 80' ' ' VAL . 0.7 OUTLIER -64.31 -56.89 13.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.413 -0.804 . . . . 0.0 109.252 179.654 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' B' ' 37' ' ' ASN . 4.9 t30 -63.92 1.96 0.58 Allowed 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.472 -0.768 . . . . 0.0 110.726 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.421 ' H ' ' C ' ' B' ' 36' ' ' ILE . 4.4 t30 -86.96 -51.96 5.73 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.752 -1.218 . . . . 0.0 108.778 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.566 ' HG2' ' N ' ' B' ' 40' ' ' LEU . 0.0 OUTLIER -106.16 -49.73 3.31 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.334 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.605 ' CD2' ' CG2' ' B' ' 80' ' ' VAL . 9.2 mp -58.31 -44.56 88.66 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.724 -0.61 . . . . 0.0 109.923 -178.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.483 ' HB2' ' HA ' ' B' ' 37' ' ' ASN . 2.1 t -41.59 -28.16 0.12 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.495 -0.753 . . . . 0.0 109.688 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . 0.441 ' N ' ' O ' ' B' ' 40' ' ' LEU . 1.5 t-80 -58.53 -54.21 49.6 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.158 -0.963 . . . . 0.0 109.471 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . 0.544 ' CD1' ' N ' ' B' ' 43' ' ' PHE . 0.8 OUTLIER -75.51 0.67 16.44 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.227 -0.92 . . . . 0.0 109.722 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.418 ' HB2' ' HA ' ' B' ' 41' ' ' SER . 2.5 tt -75.03 106.04 6.34 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.206 -0.934 . . . . 0.0 109.597 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.46 -45.14 0.11 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.368 -0.832 . . . . 0.0 109.182 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -123.37 -41.01 2.32 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.375 -0.828 . . . . 0.0 109.116 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 69.6 mt 60.11 85.82 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.284 -0.885 . . . . 0.0 109.864 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 6.7 tttm -61.53 -42.02 98.2 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.136 -0.978 . . . . 0.0 108.98 179.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.461 ' HB3' ' HB ' ' B' ' 52' ' ' VAL . 8.4 mm-40 -89.84 77.11 7.06 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.379 -0.825 . . . . 0.0 109.172 179.586 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . 0.469 ' O ' ' HB2' ' B' ' 54' ' ' ASP . 4.9 tt0 -62.82 -26.84 68.94 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.317 -0.865 . . . . 0.0 109.672 -179.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -76.21 -29.07 57.48 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.077 -1.014 . . . . 0.0 109.754 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.461 ' HB ' ' HB3' ' B' ' 49' ' ' GLU . 81.8 t -72.89 -51.18 28.15 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.263 -0.898 . . . . 0.0 109.668 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.456 HG21 HG11 ' B' ' 80' ' ' VAL . 78.1 t -72.62 -27.99 26.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.195 -0.941 . . . . 0.0 109.275 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . 0.474 ' O ' ' HG3' ' B' ' 58' ' ' GLU . 1.2 m-20 -77.32 -20.08 55.45 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.165 -0.959 . . . . 0.0 108.792 179.362 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.05 -53.63 6.82 Favored 'General case' 0 N--CA 1.486 1.331 0 O-C-N 121.248 -0.907 . . . . 0.0 109.066 179.684 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.52 ' CG1' ' SD ' ' B' ' 79' ' ' MET . 11.5 m -67.48 -41.0 85.54 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.144 -0.973 . . . . 0.0 108.89 179.464 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -66.78 -24.73 66.23 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 179.583 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . 0.474 ' HG3' ' O ' ' B' ' 54' ' ' ASP . 0.3 OUTLIER -72.46 -55.23 7.33 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.362 -0.836 . . . . 0.0 109.251 179.639 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.58 -27.36 68.58 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 179.395 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 9.7 mt -65.71 -52.92 47.5 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-O 121.5 0.667 . . . . 0.0 109.5 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.63 -14.94 61.26 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.456 -0.778 . . . . 0.0 109.941 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -66.07 -63.46 1.08 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.128 -0.983 . . . . 0.0 109.65 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.473 ' HB2' ' HE3' ' B' ' 29' ' ' LYS . 0.4 OUTLIER -82.45 -68.91 0.66 Allowed 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.323 -0.861 . . . . 0.0 109.564 -179.891 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 90.87 -39.93 3.04 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.431 -1.468 . . . . 0.0 109.431 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -124.41 49.51 1.79 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.356 -1.085 . . . . 0.0 109.376 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.489 ' HA3' ' HD2' ' B' ' 29' ' ' LYS . . . -109.03 -171.16 20.84 Favored Glycine 0 N--CA 1.487 2.1 0 N-CA-C 109.625 -1.39 . . . . 0.0 109.625 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -124.86 142.11 51.67 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.289 -1.124 . . . . 0.0 109.668 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 56.1 m -113.29 162.68 15.74 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.332 -0.855 . . . . 0.0 109.406 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -92.63 172.23 8.49 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.236 -0.915 . . . . 0.0 109.404 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.616 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 24.6 p90 -70.16 -39.14 75.49 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.213 -0.93 . . . . 0.0 109.276 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . 0.616 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -78.46 -29.26 46.79 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.231 -0.918 . . . . 0.0 109.393 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.87 -59.13 3.53 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.136 -0.978 . . . . 0.0 108.978 179.58 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.681 ' CD2' ' CE1' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -51.09 -22.14 2.28 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 179.236 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' MET . . . . . 0.566 ' HA ' ' CE ' ' B' ' 74' ' ' MET . 0.6 OUTLIER -74.6 -64.43 1.03 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.39 -0.819 . . . . 0.0 109.798 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.496 ' O ' ' HG2' ' B' ' 79' ' ' MET . . . -58.95 -15.26 12.05 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.508 -0.745 . . . . 0.0 109.51 -179.349 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.501 ' O ' HG23 ' B' ' 80' ' ' VAL . 0.1 OUTLIER -79.72 -46.91 16.18 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.431 -0.793 . . . . 0.0 109.332 179.726 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.494 ' O ' ' OG1' ' B' ' 81' ' ' THR . 76.4 t -64.01 -27.84 43.64 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 121.307 -0.87 . . . . 0.0 110.227 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.45 ' HA ' ' HE2' ' A' ' 7' ' ' MET . 16.3 m -80.19 -45.77 17.49 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.073 -1.017 . . . . 0.0 111.396 -178.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' MET . . . . . 0.52 ' SD ' ' CG1' ' B' ' 56' ' ' VAL . 5.3 ptm -56.72 -38.24 72.07 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.042 -1.037 . . . . 0.0 111.104 -178.401 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . 0.605 ' CG2' ' CD2' ' B' ' 40' ' ' LEU . 0.0 OUTLIER -77.74 -33.45 18.91 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 120.942 -1.099 . . . . 0.0 110.793 -179.027 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.546 ' N ' HD22 ' B' ' 40' ' ' LEU . 1.7 m -65.22 -13.93 59.47 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.627 -1.295 . . . . 0.0 109.638 -179.527 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.506 ' CG2' ' HA ' ' A' ' 71' ' ' GLN . 1.5 p -105.01 -14.74 15.32 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.133 -0.98 . . . . 0.0 109.481 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . 0.436 ' HB3' ' CG1' ' B' ' 52' ' ' VAL . . . -101.14 4.49 42.12 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.263 -0.898 . . . . 0.0 109.588 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . 0.46 ' O ' ' CB ' ' B' ' 85' ' ' HIS . 37.1 m -94.02 -22.87 18.27 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.228 -0.92 . . . . 0.0 109.568 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.56 ' O ' ' CB ' ' B' ' 86' ' ' GLU . 0.2 OUTLIER 72.81 -153.19 0.07 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.228 -0.92 . . . . 0.0 109.244 -179.778 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . 0.56 ' CB ' ' O ' ' B' ' 85' ' ' HIS . 0.5 OUTLIER 81.89 -68.12 0.09 Allowed 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.597 -0.689 . . . . 0.0 109.148 -179.653 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . 0.59 ' CG ' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -61.55 -37.37 83.54 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.334 -0.854 . . . . 0.0 108.876 179.546 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.51 ' CD2' ' CD2' ' A' ' 25' ' ' HIS . 87.2 m-85 -71.08 -16.55 62.59 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.296 -0.878 . . . . 0.0 109.734 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.526 ' O ' ' CB ' ' B' ' 90' ' ' HIS . 1.7 mm-40 -79.34 -5.55 54.77 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.254 -0.904 . . . . 0.0 109.626 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . 0.526 ' CB ' ' O ' ' B' ' 89' ' ' GLU . 1.9 t-80 78.37 -4.39 2.18 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.354 -0.841 . . . . 0.0 110.173 179.575 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 57.9 tt0 . . . . . 0 N--CA 1.492 1.648 0 O-C-N 120.966 -1.084 . . . . 0.0 109.368 179.703 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 12.7 ttp . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 121.185 0.517 . . . . 0.0 109.626 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.42 ' OG ' ' HB2' ' A' ' 4' ' ' GLU . 53.1 p -105.44 -172.54 2.11 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.222 -0.924 . . . . 0.0 109.452 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.499 ' HB2' ' CG2' ' B' ' 13' ' ' VAL . 36.5 mm-40 -80.39 -43.75 20.52 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.189 -0.944 . . . . 0.0 109.677 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.523 HD13 ' CD2' ' B' ' 10' ' ' LEU . 3.4 tp -70.14 -33.85 72.31 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.229 -0.919 . . . . 0.0 109.657 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.52 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 1.6 mt-10 -69.79 -62.56 1.33 Allowed 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.415 -0.803 . . . . 0.0 110.165 -179.399 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.535 ' HD3' ' N ' ' A' ' 6' ' ' ALA . 0.1 OUTLIER -58.73 -33.92 70.77 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.219 -0.926 . . . . 0.0 109.698 -179.218 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.535 ' N ' ' HD3' ' A' ' 5' ' ' LYS . . . -80.75 -71.1 0.48 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.034 -1.041 . . . . 0.0 110.135 -179.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.475 ' HB3' ' O ' ' A' ' 3' ' ' LEU . 6.7 tpt -47.64 -55.01 10.3 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.421 -0.799 . . . . 0.0 109.676 -179.634 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.52 ' CG2' ' O ' ' A' ' 4' ' ' GLU . 6.1 t -60.31 -34.4 57.36 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 O-C-N 121.47 -0.769 . . . . 0.0 109.367 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.525 ' CB ' ' O ' ' A' ' 5' ' ' LYS . . . -59.87 -34.51 73.23 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.136 -0.977 . . . . 0.0 108.643 179.272 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.529 HD21 ' CE ' ' A' ' 74' ' ' MET . 0.4 OUTLIER -57.43 -41.33 80.24 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.314 -0.866 . . . . 0.0 108.777 179.458 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.553 ' CD1' ' N ' ' A' ' 11' ' ' ILE . 1.4 mp -58.84 -35.06 54.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 179.422 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 13' ' ' VAL . 11.8 t0 -62.49 -52.18 64.53 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.418 -0.801 . . . . 0.0 109.429 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.499 ' CG2' ' HB2' ' B' ' 2' ' ' GLU . 54.5 t -43.68 -36.76 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.375 -0.828 . . . . 0.0 109.498 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.485 ' CE1' ' HG ' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -62.72 -47.21 84.57 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.214 -0.929 . . . . 0.0 109.623 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -73.05 -2.0 19.51 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.219 -0.926 . . . . 0.0 109.692 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.84 -44.85 8.27 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.083 -1.011 . . . . 0.0 109.584 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -87.94 -57.38 2.96 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.197 -0.94 . . . . 0.0 109.617 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.9 t -64.03 -25.85 68.3 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.184 -0.948 . . . . 0.0 109.748 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.413 ' HA2' ' CD ' ' A' ' 24' ' ' LYS . . . -56.53 -26.63 52.75 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.655 -1.378 . . . . 0.0 109.655 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.412 ' O ' ' O ' ' A' ' 21' ' ' GLU . 49.6 mtp180 -47.75 -78.46 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.223 -1.163 . . . . 0.0 109.677 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.412 ' O ' ' O ' ' A' ' 20' ' ' ARG . 0.8 OUTLIER -55.65 -168.27 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.277 -0.89 . . . . 0.0 109.861 -179.798 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.466 ' O ' ' HG3' ' A' ' 24' ' ' LYS . . . -90.53 -33.27 8.67 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.844 -1.302 . . . . 0.0 109.844 -179.636 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.2 -62.74 1.37 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.287 -1.126 . . . . 0.0 109.661 -179.731 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.466 ' HG3' ' O ' ' A' ' 22' ' ' GLY . 25.4 mtmm 56.24 22.81 6.5 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.118 -0.989 . . . . 0.0 109.84 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 36.0 m80 -142.35 10.43 1.89 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.178 -0.951 . . . . 0.0 109.584 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.53 130.24 13.19 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.167 -0.958 . . . . 0.0 109.168 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.485 ' HG ' ' CE1' ' A' ' 14' ' ' PHE . 1.1 mt -102.0 -156.96 0.58 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.168 -0.958 . . . . 0.0 109.22 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -150.74 169.32 21.93 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.092 -1.005 . . . . 0.0 109.351 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.531 ' HE2' ' CB ' ' A' ' 63' ' ' ASP . 1.1 ptmt -78.01 -19.93 53.47 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.109 -0.994 . . . . 0.0 109.363 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.9 -44.32 20.61 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.241 -0.912 . . . . 0.0 109.029 179.566 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.482 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 7.7 tt0 -78.56 -16.87 56.94 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 179.009 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.477 ' O ' HG13 ' A' ' 36' ' ' ILE . 30.3 tp -80.31 -41.24 25.26 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 178.508 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -56.71 -44.24 81.35 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.503 ' HG3' ' N ' ' A' ' 35' ' ' LEU . 9.9 pt-20 -71.5 -39.49 70.78 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 179.233 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.503 ' N ' ' HG3' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -48.67 -42.94 36.21 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 179.625 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.477 HG13 ' O ' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -80.64 -58.32 3.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.254 -0.904 . . . . 0.0 110.114 -179.649 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.514 ' O ' ' CB ' ' A' ' 41' ' ' SER . 43.7 t-20 -68.61 -62.75 1.25 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.239 -0.913 . . . . 0.0 109.986 -179.239 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.468 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 0.3 OUTLIER -43.41 -52.22 6.09 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.139 -0.975 . . . . 0.0 110.242 -179.589 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.479 ' HB2' ' O ' ' A' ' 35' ' ' LEU . 24.4 mm-40 -79.23 -79.58 0.13 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.107 -0.996 . . . . 0.0 110.361 -179.258 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.449 ' HB2' ' O ' ' A' ' 36' ' ' ILE . 45.9 mt -58.5 -94.24 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.091 -1.005 . . . . 0.0 110.058 -179.03 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.514 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 4.3 t 52.49 20.27 1.41 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.07 -1.019 . . . . 0.0 109.536 -179.711 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -96.42 -26.13 15.44 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.151 -0.968 . . . . 0.0 109.425 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -117.2 56.14 0.83 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.322 -0.861 . . . . 0.0 109.432 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.09 54.53 1.95 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.176 -0.952 . . . . 0.0 109.591 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -99.17 -72.82 0.65 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.249 -0.907 . . . . 0.0 109.365 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.429 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 48.3 mt-10 -97.74 -24.59 15.41 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.266 -0.896 . . . . 0.0 109.397 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.429 ' HB ' ' O ' ' A' ' 46' ' ' GLU . 23.0 mt 61.04 111.51 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.252 -0.905 . . . . 0.0 109.73 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.404 ' HB2' ' HA ' ' A' ' 85' ' ' HIS . 0.1 OUTLIER -91.18 -43.96 9.54 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.274 -0.891 . . . . 0.0 109.326 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.465 ' HB3' ' HB ' ' A' ' 52' ' ' VAL . 7.4 mm-40 -85.2 64.61 8.77 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.251 -0.905 . . . . 0.0 109.077 179.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.552 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 0.9 OUTLIER -46.88 -24.82 0.65 Allowed 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.19 -0.944 . . . . 0.0 110.08 -179.609 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -80.58 -41.3 24.26 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.002 -1.061 . . . . 0.0 110.424 -179.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.512 ' CG1' ' HB2' ' A' ' 79' ' ' MET . 98.2 t -69.12 -46.29 78.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.025 -1.047 . . . . 0.0 109.9 -179.41 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.402 ' CG2' ' HB2' ' A' ' 83' ' ' ALA . 59.3 t -75.14 -29.99 22.53 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 O-C-N 121.178 -0.951 . . . . 0.0 109.747 -179.679 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.552 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 33.8 t70 -80.47 -20.42 43.75 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.02 -1.05 . . . . 0.0 109.096 179.685 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.417 ' C ' ' CD ' ' A' ' 55' ' ' LYS . 0.5 OUTLIER -77.27 -43.15 34.33 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 121.197 -0.94 . . . . 0.0 109.104 179.85 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.532 HG13 ' CD2' ' A' ' 76' ' ' PHE . 7.5 m -78.16 -37.12 22.12 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 O-C-N 121.096 -1.002 . . . . 0.0 108.884 179.382 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 36.3 tpp -71.36 -23.77 61.96 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 179.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.482 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 3.9 mt-10 -75.46 -51.5 12.88 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.238 -0.914 . . . . 0.0 109.364 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.4 m -64.82 -33.1 75.19 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 179.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.519 ' CD2' ' O ' ' A' ' 29' ' ' LYS . 9.7 mt -61.52 -53.11 60.71 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 179.384 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.37 -6.95 58.83 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.46 -0.775 . . . . 0.0 109.557 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.471 ' HB2' ' O ' ' A' ' 58' ' ' GLU . 3.8 tt0 -66.97 -40.86 87.56 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.106 -0.996 . . . . 0.0 109.691 -179.706 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.531 ' CB ' ' HE2' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -125.14 -55.72 1.56 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.268 -0.895 . . . . 0.0 109.802 -179.753 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.529 ' CA ' ' HG3' ' A' ' 29' ' ' LYS . . . 89.73 -52.41 3.64 Favored Glycine 0 N--CA 1.49 2.3 0 N-CA-C 109.365 -1.494 . . . . 0.0 109.365 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -105.26 89.32 3.09 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.28 -1.13 . . . . 0.0 109.361 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.516 ' N ' ' HD3' ' A' ' 29' ' ' LYS . . . -147.25 175.71 26.48 Favored Glycine 0 N--CA 1.488 2.134 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -110.45 125.09 52.91 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.289 -1.124 . . . . 0.0 109.702 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.2 m -106.96 173.83 6.15 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.354 -0.841 . . . . 0.0 109.104 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -115.18 -176.23 2.87 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.203 -0.935 . . . . 0.0 109.198 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.468 ' CE1' ' SD ' ' A' ' 74' ' ' MET . 10.2 t80 -74.39 -49.04 24.22 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.092 -1.005 . . . . 0.0 109.277 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.449 ' CD ' ' HB ' ' B' ' 82' ' ' THR . 0.0 OUTLIER -61.86 -23.04 66.02 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.243 -0.911 . . . . 0.0 109.333 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.454 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 0.5 OUTLIER -79.28 -54.32 6.07 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.215 -0.928 . . . . 0.0 109.086 179.721 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.448 ' O ' HG21 ' A' ' 77' ' ' VAL . 0.1 OUTLIER -60.32 -21.44 62.03 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 179.261 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.529 ' CE ' HD21 ' A' ' 10' ' ' LEU . 0.7 OUTLIER -77.98 -60.1 2.51 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.376 -0.828 . . . . 0.0 109.334 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.517 ' O ' ' HG2' ' A' ' 79' ' ' MET . . . -62.49 -17.0 58.64 Favored 'General case' 0 C--N 1.302 -1.499 0 C-N-CA 119.676 -0.809 . . . . 0.0 109.48 -179.622 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.532 ' CD2' HG13 ' A' ' 56' ' ' VAL . 0.3 OUTLIER -81.47 -43.44 18.84 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.313 -0.867 . . . . 0.0 109.789 179.867 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.459 ' O ' ' OG1' ' A' ' 81' ' ' THR . 53.4 t -71.96 -25.33 23.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.339 -0.85 . . . . 0.0 110.341 -179.28 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.478 ' O ' ' OG1' ' A' ' 82' ' ' THR . 57.3 p -76.27 -52.63 9.6 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.144 -0.973 . . . . 0.0 110.758 -178.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.529 ' SD ' ' CG1' ' A' ' 56' ' ' VAL . 13.8 ptp -58.1 -42.45 85.68 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.945 -1.097 . . . . 0.0 110.281 -179.131 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 76' ' ' PHE . 9.1 m -65.2 -41.45 91.67 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 O-C-N 121.004 -1.06 . . . . 0.0 110.037 -179.705 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.459 ' OG1' ' O ' ' A' ' 77' ' ' VAL . 5.3 m -70.42 -13.21 62.04 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.998 -1.064 . . . . 0.0 109.417 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.522 ' CG2' ' HG2' ' B' ' 74' ' ' MET . 0.1 OUTLIER -100.33 1.27 41.4 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.22 -0.925 . . . . 0.0 109.61 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.406 ' HB3' ' HB2' ' A' ' 49' ' ' GLU . . . -101.33 25.55 8.16 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.161 -0.962 . . . . 0.0 109.191 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 85' ' ' HIS . 21.8 p -60.37 134.38 57.01 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.271 -0.893 . . . . 0.0 109.417 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.445 ' C ' ' O ' ' A' ' 84' ' ' CYS . 0.0 OUTLIER -39.76 -88.91 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.637 -0.664 . . . . 0.0 109.918 -179.589 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -67.07 -177.97 0.72 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.156 -0.965 . . . . 0.0 109.933 -179.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -113.82 105.64 13.51 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.431 -0.793 . . . . 0.0 109.025 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.428 ' CE2' HG21 ' B' ' 11' ' ' ILE . 18.1 m-85 53.84 69.09 0.75 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.144 -0.972 . . . . 0.0 109.134 -179.507 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.457 ' O ' ' HB3' ' A' ' 90' ' ' HIS . 0.4 OUTLIER -152.65 -57.9 0.14 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.054 -1.029 . . . . 0.0 109.923 -179.667 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.572 ' CG ' ' O ' ' A' ' 90' ' ' HIS . 20.7 t-80 61.77 13.88 5.75 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.324 -0.86 . . . . 0.0 109.527 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 . . . . . 0 N--CA 1.491 1.589 0 O-C-N 121.07 -1.018 . . . . 0.0 109.512 179.836 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 12.7 ttp . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.431 ' OG ' ' HB2' ' B' ' 4' ' ' GLU . 53.1 p -105.53 -172.5 2.1 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.225 -0.922 . . . . 0.0 109.41 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.499 ' HB2' ' CG2' ' A' ' 13' ' ' VAL . 36.4 mm-40 -80.46 -43.72 20.41 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.232 -0.917 . . . . 0.0 109.694 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.524 HD13 ' CD2' ' A' ' 10' ' ' LEU . 3.4 tp -70.08 -33.89 72.48 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.279 -0.888 . . . . 0.0 109.617 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.512 ' O ' ' CG2' ' B' ' 8' ' ' VAL . 1.6 mt-10 -69.85 -62.54 1.34 Allowed 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.312 -0.867 . . . . 0.0 110.122 -179.309 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.544 ' HD3' ' N ' ' B' ' 6' ' ' ALA . 0.1 OUTLIER -58.81 -33.93 70.93 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.224 -0.923 . . . . 0.0 109.595 -179.14 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . 0.544 ' N ' ' HD3' ' B' ' 5' ' ' LYS . . . -80.8 -71.06 0.48 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.992 -1.068 . . . . 0.0 110.141 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' MET . . . . . 0.476 ' HB3' ' O ' ' B' ' 3' ' ' LEU . 6.6 tpt -47.63 -54.94 10.48 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-O 121.721 0.772 . . . . 0.0 109.628 -179.627 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . 0.512 ' CG2' ' O ' ' B' ' 4' ' ' GLU . 6.1 t -60.35 -34.36 57.34 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.579 0 C-N-CA 119.822 -0.751 . . . . 0.0 109.347 -179.697 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . 0.536 ' CB ' ' O ' ' B' ' 5' ' ' LYS . . . -59.97 -34.55 73.44 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.13 -0.981 . . . . 0.0 108.615 179.288 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.523 ' CD2' HD13 ' A' ' 3' ' ' LEU . 0.4 OUTLIER -57.29 -41.39 79.73 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.373 -0.83 . . . . 0.0 108.791 179.412 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.557 ' CD1' ' N ' ' B' ' 11' ' ' ILE . 1.4 mp -58.83 -35.15 54.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.344 -0.848 . . . . 0.0 108.778 179.417 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' B' ' 13' ' ' VAL . 11.7 t0 -62.42 -52.11 64.85 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.365 -0.835 . . . . 0.0 109.463 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . 0.499 ' CG2' ' HB2' ' A' ' 2' ' ' GLU . 54.4 t -43.68 -36.82 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.348 -0.845 . . . . 0.0 109.529 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.476 ' CE1' ' HG ' ' B' ' 27' ' ' LEU . 0.6 OUTLIER -62.66 -47.34 84.13 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.241 -0.912 . . . . 0.0 109.574 -179.898 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -72.9 -2.06 19.34 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.112 -0.993 . . . . 0.0 109.694 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.9 -44.84 8.26 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.204 -0.935 . . . . 0.0 109.603 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -87.91 -57.33 2.98 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.273 -0.892 . . . . 0.0 109.69 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 4.9 t -64.1 -25.75 68.24 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.343 -0.848 . . . . 0.0 109.796 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . 0.402 ' HA2' ' CD ' ' B' ' 24' ' ' LYS . . . -56.66 -26.56 53.46 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.651 -1.38 . . . . 0.0 109.651 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.418 ' O ' ' O ' ' B' ' 21' ' ' GLU . 49.8 mtp180 -47.71 -78.48 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.259 -1.141 . . . . 0.0 109.654 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.418 ' O ' ' O ' ' B' ' 20' ' ' ARG . 0.8 OUTLIER -55.61 -168.27 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.373 -0.83 . . . . 0.0 109.889 -179.735 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . 0.474 ' O ' ' HG3' ' B' ' 24' ' ' LYS . . . -90.45 -33.4 8.64 Favored Glycine 0 N--CA 1.49 2.235 0 N-CA-C 109.885 -1.286 . . . . 0.0 109.885 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.08 -62.82 1.32 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.265 -1.138 . . . . 0.0 109.707 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.474 ' HG3' ' O ' ' B' ' 22' ' ' GLY . 25.5 mtmm 56.3 22.87 6.65 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.117 -0.989 . . . . 0.0 109.871 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -142.4 10.4 1.88 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.045 -1.035 . . . . 0.0 109.591 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.53 130.23 13.17 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.217 -0.927 . . . . 0.0 109.206 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.476 ' HG ' ' CE1' ' B' ' 14' ' ' PHE . 1.1 mt -102.07 -156.98 0.58 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.283 -0.886 . . . . 0.0 109.182 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -150.72 169.34 21.85 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.09 -1.006 . . . . 0.0 109.373 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.537 ' HE2' ' CB ' ' B' ' 63' ' ' ASP . 1.1 ptmt -78.05 -19.98 53.27 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.081 -1.012 . . . . 0.0 109.259 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.83 -44.3 20.79 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.236 -0.915 . . . . 0.0 109.051 179.568 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.479 ' O ' ' HG2' ' B' ' 34' ' ' GLU . 7.7 tt0 -78.63 -16.88 56.84 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 179.016 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.481 ' O ' HG13 ' B' ' 36' ' ' ILE . 30.3 tp -80.27 -41.3 25.27 Favored 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 178.493 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -56.81 -44.18 81.72 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 178.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.505 ' HG3' ' N ' ' B' ' 35' ' ' LEU . 9.9 pt-20 -71.49 -39.51 70.82 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.214 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.505 ' N ' ' HG3' ' B' ' 34' ' ' GLU . 0.2 OUTLIER -48.66 -43.03 36.31 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 179.646 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.481 HG13 ' O ' ' B' ' 32' ' ' LEU . 0.4 OUTLIER -80.6 -58.32 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.248 -0.908 . . . . 0.0 110.149 -179.693 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.532 ' O ' ' CB ' ' B' ' 41' ' ' SER . 43.7 t-20 -68.69 -62.73 1.26 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.276 -0.89 . . . . 0.0 109.901 -179.183 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.464 ' CB ' ' O ' ' B' ' 34' ' ' GLU . 0.3 OUTLIER -43.45 -52.18 6.18 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.123 -0.985 . . . . 0.0 110.221 -179.573 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.472 ' HB2' ' O ' ' B' ' 35' ' ' LEU . 24.4 mm-40 -79.3 -79.57 0.13 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.15 -0.968 . . . . 0.0 110.372 -179.254 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.45 ' HB2' ' O ' ' B' ' 36' ' ' ILE . 46.1 mt -58.46 -94.19 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.339 0 O-C-N 121.118 -0.989 . . . . 0.0 110.166 -179.114 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.532 ' CB ' ' O ' ' B' ' 37' ' ' ASN . 4.3 t 52.5 20.27 1.42 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.096 -1.003 . . . . 0.0 109.498 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -96.45 -26.24 15.38 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.248 -0.907 . . . . 0.0 109.43 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -117.05 56.09 0.82 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.251 -0.905 . . . . 0.0 109.477 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.11 54.53 1.95 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.281 -0.887 . . . . 0.0 109.557 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -99.2 -72.75 0.65 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.327 -0.858 . . . . 0.0 109.385 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.432 ' O ' ' HB ' ' B' ' 47' ' ' ILE . 48.5 mt-10 -97.85 -24.49 15.41 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.339 -0.851 . . . . 0.0 109.379 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.432 ' HB ' ' O ' ' B' ' 46' ' ' GLU . 23.1 mt 60.97 111.61 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.328 -0.857 . . . . 0.0 109.708 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.26 -43.89 9.54 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.261 -0.899 . . . . 0.0 109.398 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.453 ' HB3' ' HB ' ' B' ' 52' ' ' VAL . 7.5 mm-40 -85.2 64.58 8.76 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.258 -0.901 . . . . 0.0 109.078 179.594 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . 0.554 ' O ' ' CB ' ' B' ' 54' ' ' ASP . 0.9 OUTLIER -47.0 -24.85 0.68 Allowed 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.266 -0.896 . . . . 0.0 110.022 -179.503 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -80.51 -41.18 24.7 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.988 -1.07 . . . . 0.0 110.466 -179.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.508 ' CG1' ' HB2' ' B' ' 79' ' ' MET . 97.1 t -69.2 -46.39 77.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 120.984 -1.072 . . . . 0.0 109.907 -179.473 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 58.8 t -75.12 -29.89 22.47 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.259 -0.9 . . . . 0.0 109.773 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . 0.554 ' CB ' ' O ' ' B' ' 50' ' ' GLN . 33.8 t70 -80.47 -20.46 43.67 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.025 -1.047 . . . . 0.0 109.014 179.656 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.415 ' C ' ' CD ' ' B' ' 55' ' ' LYS . 0.5 OUTLIER -77.26 -43.13 34.47 Favored 'General case' 0 C--N 1.306 -1.312 0 O-C-N 121.113 -0.992 . . . . 0.0 109.079 179.871 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.547 HG13 ' CD2' ' B' ' 76' ' ' PHE . 7.7 m -78.12 -37.11 22.21 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.353 0 O-C-N 121.116 -0.99 . . . . 0.0 108.954 179.373 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 36.4 tpp -71.42 -23.9 61.94 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . 0.492 ' HB2' ' O ' ' B' ' 54' ' ' ASP . 3.9 mt-10 -75.28 -51.62 12.81 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.308 -0.87 . . . . 0.0 109.326 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 1.4 m -64.77 -33.13 75.25 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 179.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.523 ' CD2' ' O ' ' B' ' 29' ' ' LYS . 9.6 mt -61.65 -52.89 62.48 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 179.414 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.44 -6.88 58.78 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.433 -0.792 . . . . 0.0 109.597 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.469 ' HB2' ' O ' ' B' ' 58' ' ' GLU . 3.8 tt0 -67.01 -40.9 87.4 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.224 -0.923 . . . . 0.0 109.664 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.537 ' CB ' ' HE2' ' B' ' 29' ' ' LYS . 0.1 OUTLIER -125.12 -55.8 1.56 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.238 -0.914 . . . . 0.0 109.829 -179.745 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . 0.517 ' CA ' ' HG3' ' B' ' 29' ' ' LYS . . . 89.76 -52.34 3.62 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.427 -1.469 . . . . 0.0 109.427 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -105.21 89.36 3.1 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.294 -1.121 . . . . 0.0 109.321 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.514 ' N ' ' HD3' ' B' ' 29' ' ' LYS . . . -147.26 175.67 26.51 Favored Glycine 0 N--CA 1.488 2.106 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -110.5 125.08 52.94 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.301 -1.117 . . . . 0.0 109.666 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 3.1 m -107.02 173.83 6.15 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.33 -0.856 . . . . 0.0 109.031 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -115.1 -176.33 2.88 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.312 -0.867 . . . . 0.0 109.254 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.47 ' CE1' ' SD ' ' B' ' 74' ' ' MET . 10.3 t80 -74.34 -49.01 24.61 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.085 -1.009 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . 0.438 ' CD ' ' HB ' ' A' ' 82' ' ' THR . 0.0 OUTLIER -61.86 -23.01 66.01 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.166 -0.959 . . . . 0.0 109.346 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.462 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 0.5 OUTLIER -79.44 -54.23 6.13 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.202 -0.936 . . . . 0.0 109.095 179.757 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.446 ' O ' HG21 ' B' ' 77' ' ' VAL . 0.1 OUTLIER -60.27 -21.5 62.0 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.168 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' MET . . . . . 0.522 ' HG2' ' CG2' ' A' ' 82' ' ' THR . 0.7 OUTLIER -77.93 -60.16 2.48 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.412 -0.805 . . . . 0.0 109.4 179.862 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.517 ' O ' ' HG2' ' B' ' 79' ' ' MET . . . -62.39 -17.04 58.13 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.432 -0.793 . . . . 0.0 109.529 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.547 ' CD2' HG13 ' B' ' 56' ' ' VAL . 0.3 OUTLIER -81.51 -43.41 18.82 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.433 -0.792 . . . . 0.0 109.806 179.875 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.457 ' O ' ' OG1' ' B' ' 81' ' ' THR . 53.8 t -72.15 -25.11 23.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.301 -0.874 . . . . 0.0 110.235 -179.208 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.466 ' O ' ' OG1' ' B' ' 82' ' ' THR . 57.7 p -76.31 -52.74 9.34 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.126 -0.984 . . . . 0.0 110.737 -178.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' MET . . . . . 0.525 ' SD ' ' CG1' ' B' ' 56' ' ' VAL . 13.8 ptp -58.15 -42.39 85.83 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.868 -1.145 . . . . 0.0 110.269 -179.071 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . 0.46 HG23 ' O ' ' B' ' 76' ' ' PHE . 8.6 m -65.26 -41.45 91.53 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 O-C-N 120.97 -1.081 . . . . 0.0 109.964 -179.673 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.457 ' OG1' ' O ' ' B' ' 77' ' ' VAL . 5.2 m -70.42 -13.19 62.03 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.078 -1.014 . . . . 0.0 109.384 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.518 ' CG2' ' HG2' ' A' ' 74' ' ' MET . 0.1 OUTLIER -100.34 1.2 41.31 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.184 -0.948 . . . . 0.0 109.627 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . 0.412 ' HB3' ' HB2' ' B' ' 49' ' ' GLU . . . -101.33 25.49 8.23 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.193 -0.942 . . . . 0.0 109.194 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . 0.451 ' O ' ' C ' ' B' ' 85' ' ' HIS . 21.6 p -60.28 134.42 57.04 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.306 -0.871 . . . . 0.0 109.405 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.451 ' C ' ' O ' ' B' ' 84' ' ' CYS . 0.0 OUTLIER -39.72 -88.91 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.633 -0.667 . . . . 0.0 109.919 -179.608 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -67.12 -177.96 0.73 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.161 -0.962 . . . . 0.0 109.918 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -113.79 105.74 13.64 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.459 -0.776 . . . . 0.0 109.086 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.429 ' CE2' HG21 ' A' ' 11' ' ' ILE . 18.4 m-85 53.8 69.16 0.74 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.048 -1.032 . . . . 0.0 109.058 -179.544 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.455 ' O ' ' HB3' ' B' ' 90' ' ' HIS . 0.4 OUTLIER -152.64 -58.09 0.14 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.259 -0.9 . . . . 0.0 109.901 -179.644 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . 0.584 ' CG ' ' O ' ' B' ' 90' ' ' HIS . 20.7 t-80 61.9 13.82 5.85 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.282 -0.886 . . . . 0.0 109.581 -179.663 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 . . . . . 0 N--CA 1.49 1.575 0 CA-C-O 117.964 -1.017 . . . . 0.0 109.48 179.945 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.474 ' O ' ' CG ' ' A' ' 5' ' ' LYS . 0.9 OUTLIER -123.66 173.26 8.21 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.286 -0.884 . . . . 0.0 109.649 -179.923 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.467 ' HB3' HG21 ' B' ' 13' ' ' VAL . 0.8 OUTLIER -80.34 -45.33 17.97 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.327 -0.858 . . . . 0.0 109.644 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.545 ' CB ' ' CB ' ' B' ' 39' ' ' GLU . 9.0 tp -79.78 -43.85 21.75 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.241 -0.912 . . . . 0.0 109.949 -179.617 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.551 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 7.9 tt0 -61.75 -44.6 96.59 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.011 -1.055 . . . . 0.0 110.034 -179.277 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.474 ' CG ' ' O ' ' A' ' 1' ' ' SER . 1.7 pttt -70.82 -35.93 72.7 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.645 -1.284 . . . . 0.0 110.118 -179.441 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.469 ' HB3' ' HB1' ' B' ' 9' ' ' ALA . . . -80.56 -70.11 0.55 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.1 -1.0 . . . . 0.0 110.248 -179.394 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.532 ' CE ' ' HA ' ' B' ' 78' ' ' SER . 4.3 tpt -45.79 -51.45 12.74 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.467 -0.771 . . . . 0.0 110.194 -179.3 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.551 ' CG2' ' O ' ' A' ' 4' ' ' GLU . 23.1 t -61.36 -34.81 62.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.297 -0.877 . . . . 0.0 109.443 -179.324 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.465 ' HB1' ' HB3' ' B' ' 6' ' ' ALA . . . -55.71 -38.65 70.01 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.099 -1.0 . . . . 0.0 108.805 179.313 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.411 HD13 ' SD ' ' B' ' 7' ' ' MET . 0.5 OUTLIER -58.62 -52.39 65.88 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.28 -0.887 . . . . 0.0 108.724 179.432 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.579 HG21 ' CZ ' ' B' ' 88' ' ' PHE . 1.1 mp -48.98 -37.0 8.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.254 -0.904 . . . . 0.0 108.608 179.262 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -55.49 -50.85 68.83 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.287 -0.883 . . . . 0.0 109.512 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.453 ' HA ' ' HB2' ' A' ' 16' ' ' GLN . 46.4 t -49.51 -36.7 10.47 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.412 -0.805 . . . . 0.0 109.964 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.537 ' HB3' ' CE2' ' B' ' 88' ' ' PHE . 2.2 t80 -58.13 -44.43 87.79 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.213 -0.929 . . . . 0.0 109.657 -179.578 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -80.67 -7.51 59.34 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.144 -0.973 . . . . 0.0 109.564 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.453 ' HB2' ' HA ' ' A' ' 13' ' ' VAL . 0.6 OUTLIER -83.46 -26.45 30.28 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.236 -0.915 . . . . 0.0 109.456 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -106.66 -53.11 2.67 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.293 -0.879 . . . . 0.0 109.462 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.435 ' O ' ' O ' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -48.3 -56.61 7.62 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.22 -0.925 . . . . 0.0 109.463 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 18' ' ' SER . . . -45.16 -57.78 5.39 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.346 -1.501 . . . . 0.0 109.346 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -50.9 -91.34 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.301 -1.117 . . . . 0.0 109.459 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.435 ' O ' ' O ' ' A' ' 18' ' ' SER . 0.6 OUTLIER -107.96 -162.21 0.82 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.277 -0.889 . . . . 0.0 109.409 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 73.12 -149.62 42.85 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.607 -1.397 . . . . 0.0 109.607 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.415 ' HB2' ' HB2' ' A' ' 26' ' ' LYS . 0.5 OUTLIER -91.46 -172.85 3.39 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.359 -1.083 . . . . 0.0 109.444 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.517 ' O ' ' ND1' ' A' ' 25' ' ' HIS . 1.2 mmtt -76.88 -35.22 57.59 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.166 -0.959 . . . . 0.0 109.303 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.583 ' O ' ' CE1' ' A' ' 70' ' ' PHE . 23.6 m-70 -147.08 35.41 0.91 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.302 -0.874 . . . . 0.0 109.433 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.443 ' HG2' ' C ' ' A' ' 25' ' ' HIS . 6.7 mttm -137.22 145.57 43.79 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.237 -0.915 . . . . 0.0 109.122 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.52 ' O ' ' CB ' ' A' ' 68' ' ' CYS . 0.1 OUTLIER -115.93 137.1 52.42 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.14 -0.975 . . . . 0.0 108.932 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.486 ' CG ' ' O ' ' A' ' 66' ' ' GLY . 0.1 OUTLIER -88.58 174.22 8.19 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.002 -1.062 . . . . 0.0 110.014 -179.34 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.533 ' O ' ' CD2' ' A' ' 60' ' ' LEU . 6.4 ptpt -76.31 -15.81 59.9 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.349 -0.844 . . . . 0.0 109.733 -179.602 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.53 -44.09 19.67 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.032 -1.042 . . . . 0.0 108.583 179.189 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.461 ' O ' ' HB2' ' A' ' 35' ' ' LEU . 4.6 tt0 -80.46 -17.25 52.24 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 178.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.461 ' O ' HG13 ' A' ' 36' ' ' ILE . 19.1 tp -80.21 -41.87 24.36 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 178.672 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.467 ' HG3' ' HB3' ' A' ' 60' ' ' LEU . 10.6 tttt -59.32 -43.7 92.65 Favored 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 178.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.544 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 13.5 pt-20 -71.94 -36.81 70.03 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 179.45 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.461 ' HB2' ' O ' ' A' ' 31' ' ' GLU . 0.1 OUTLIER -50.9 -42.45 59.23 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 121.738 -0.601 . . . . 0.0 109.503 179.866 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -81.62 -57.21 4.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.202 -0.937 . . . . 0.0 110.336 -179.431 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -68.46 -0.72 5.32 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.278 -0.889 . . . . 0.0 111.174 -178.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.544 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 1.4 t30 -110.99 -77.08 0.59 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.76 -1.212 . . . . 0.0 109.533 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.555 ' CB ' ' CB ' ' B' ' 3' ' ' LEU . 0.9 OUTLIER -49.82 -49.4 49.07 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.175 -0.953 . . . . 0.0 108.901 179.839 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.529 ' O ' ' CB ' ' A' ' 41' ' ' SER . 13.3 mt -88.72 -103.6 0.09 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.128 -0.983 . . . . 0.0 108.743 179.417 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.529 ' CB ' ' O ' ' A' ' 40' ' ' LEU . 0.4 OUTLIER 81.23 -42.0 0.16 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.249 -0.907 . . . . 0.0 110.666 179.254 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -67.42 -14.81 63.26 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.957 -1.089 . . . . 0.0 109.91 -179.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -108.22 45.73 1.0 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.11 -0.994 . . . . 0.0 109.972 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.556 ' O ' ' CD1' ' A' ' 44' ' ' LEU . 2.8 tm? -127.35 -6.29 5.91 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.172 -0.955 . . . . 0.0 109.524 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.423 ' HG2' ' OE1' ' A' ' 46' ' ' GLU . 25.4 pt-20 -104.08 17.54 23.89 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.975 -1.078 . . . . 0.0 109.764 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.455 ' O ' ' HG2' ' A' ' 46' ' ' GLU . 2.5 pm0 -150.12 83.47 1.38 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.122 -0.986 . . . . 0.0 109.39 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.526 ' CG2' ' HB2' ' A' ' 83' ' ' ALA . 1.6 mp -151.48 138.57 13.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.372 -0.83 . . . . 0.0 109.387 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.522 ' N ' ' HB2' ' A' ' 85' ' ' HIS . 3.1 ttpt -99.28 -21.12 16.21 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.213 -0.929 . . . . 0.0 108.803 179.658 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.536 ' HB3' ' CG2' ' A' ' 52' ' ' VAL . 4.0 mm-40 -84.43 69.05 10.48 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.298 -0.876 . . . . 0.0 109.06 179.667 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.562 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 39.7 tt0 -53.38 -22.24 7.21 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.233 -0.917 . . . . 0.0 109.211 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.495 ' O ' ' CB ' ' A' ' 55' ' ' LYS . 2.4 mt-10 -80.11 -34.91 37.53 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.09 -1.006 . . . . 0.0 110.045 -179.721 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.536 ' CG2' ' HB3' ' A' ' 49' ' ' GLU . 61.1 t -69.22 -48.03 70.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 120.979 -1.076 . . . . 0.0 109.702 -179.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.46 HG12 ' CD2' ' A' ' 44' ' ' LEU . 44.5 t -76.87 -34.08 22.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.126 -0.984 . . . . 0.0 109.513 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.562 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 15.4 t70 -80.18 -14.5 58.41 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.242 -0.911 . . . . 0.0 109.145 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.495 ' CB ' ' O ' ' A' ' 51' ' ' GLU . 1.4 tmtm? -80.28 -38.24 31.22 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 120.971 -1.081 . . . . 0.0 108.564 179.507 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.564 HG13 ' CE2' ' A' ' 76' ' ' PHE . 2.5 m -81.45 -32.19 11.76 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 178.246 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.441 ' HA ' ' HE1' ' A' ' 57' ' ' MET . 0.0 OUTLIER -78.25 -23.69 47.22 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.625 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.519 ' HG3' ' N ' ' A' ' 59' ' ' THR . 23.1 pt-20 -80.37 -44.06 20.05 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.185 -0.947 . . . . 0.0 108.872 179.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.519 ' N ' ' HG3' ' A' ' 58' ' ' GLU . 0.2 OUTLIER -71.67 -28.57 63.83 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 178.94 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.533 ' CD2' ' O ' ' A' ' 29' ' ' LYS . 11.4 mt -69.71 -54.15 15.18 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.585 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -80.55 -8.73 59.69 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.62 -0.675 . . . . 0.0 109.929 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.481 ' HB2' ' O ' ' A' ' 58' ' ' GLU . 4.2 tt0 -71.43 -66.05 0.67 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.121 -0.987 . . . . 0.0 109.522 -179.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -84.07 -58.34 2.81 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.331 -0.856 . . . . 0.0 109.779 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.82 -16.22 38.07 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.726 -1.35 . . . . 0.0 109.726 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -133.12 74.8 1.58 Allowed 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.233 -1.157 . . . . 0.0 109.56 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.486 ' O ' ' CG ' ' A' ' 28' ' ' LYS . . . -139.84 161.25 26.28 Favored Glycine 0 N--CA 1.488 2.151 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.482 ' HA ' ' HG3' ' A' ' 28' ' ' LYS . 3.0 mp0 -97.84 148.61 23.23 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.228 -1.16 . . . . 0.0 109.935 -179.617 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.52 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 2.8 m -128.11 174.66 9.04 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.432 -0.792 . . . . 0.0 108.943 179.537 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -120.99 -151.99 0.5 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.136 -0.977 . . . . 0.0 110.118 -179.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.583 ' CE1' ' O ' ' A' ' 25' ' ' HIS . 69.8 m-85 -92.41 -50.56 5.57 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.425 -0.797 . . . . 0.0 110.051 -179.346 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.457 ' HG2' ' OG1' ' B' ' 82' ' ' THR . 14.0 mt-30 -67.83 -16.11 63.94 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.184 -0.947 . . . . 0.0 108.974 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.463 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 0.6 OUTLIER -81.77 -58.98 2.76 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.289 -0.882 . . . . 0.0 108.756 179.137 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -21.58 65.7 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 179.188 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.467 ' HB2' ' O ' ' A' ' 70' ' ' PHE . 20.9 mmm -80.75 -55.02 5.11 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.52 -0.738 . . . . 0.0 109.608 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.447 ' O ' ' CG ' ' A' ' 79' ' ' MET . . . -68.33 -12.94 61.87 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.286 -0.884 . . . . 0.0 108.717 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.564 ' CE2' HG13 ' A' ' 56' ' ' VAL . 0.7 OUTLIER -79.95 -44.68 19.86 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 179.311 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.463 ' O ' ' OG1' ' A' ' 81' ' ' THR . 55.8 t -63.22 -27.05 42.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.425 -0.797 . . . . 0.0 109.392 179.603 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.543 ' HA ' ' CE ' ' B' ' 7' ' ' MET . 0.0 OUTLIER -77.05 -49.42 15.39 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.241 -0.912 . . . . 0.0 110.411 -179.566 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.48 ' HB3' ' CG1' ' A' ' 52' ' ' VAL . 0.7 OUTLIER -50.14 -41.8 49.53 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.056 -1.027 . . . . 0.0 110.515 -179.285 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.467 HG12 HG22 ' A' ' 56' ' ' VAL . 2.5 m -80.38 -42.73 21.51 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.066 -1.021 . . . . 0.0 111.073 -178.72 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.467 ' OG1' ' HE1' ' B' ' 7' ' ' MET . 2.0 m -73.08 -6.0 42.72 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.813 -1.179 . . . . 0.0 109.844 -179.393 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.462 ' OG1' ' O ' ' A' ' 78' ' ' SER . 75.2 p -138.38 18.57 2.75 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.131 -0.981 . . . . 0.0 109.221 179.647 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.542 ' O ' ' CB ' ' A' ' 84' ' ' CYS . . . -49.71 -53.03 27.15 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.319 -0.863 . . . . 0.0 109.22 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.542 ' CB ' ' O ' ' A' ' 83' ' ' ALA . 0.7 OUTLIER 161.51 -173.14 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.194 -0.941 . . . . 0.0 110.32 179.608 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.522 ' HB2' ' N ' ' A' ' 48' ' ' LYS . 1.5 t-160 76.71 -158.39 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.56 -0.713 . . . . 0.0 109.667 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -84.11 85.36 7.36 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.296 -0.877 . . . . 0.0 108.894 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.468 ' CE2' ' CD1' ' A' ' 88' ' ' PHE . 22.6 p90 -112.88 19.31 17.44 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.255 -0.903 . . . . 0.0 109.331 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.596 ' CZ ' HG21 ' B' ' 11' ' ' ILE . 0.3 OUTLIER -130.34 -5.42 4.29 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.531 -0.731 . . . . 0.0 109.652 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 88' ' ' PHE . 37.2 tt0 41.98 53.24 4.22 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.284 -0.885 . . . . 0.0 109.72 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 31.6 p80 -76.11 -29.03 57.71 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.217 -0.927 . . . . 0.0 109.522 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 117.949 -1.024 . . . . 0.0 109.506 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.473 ' O ' ' CG ' ' B' ' 5' ' ' LYS . 0.9 OUTLIER -123.53 173.26 8.15 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.347 -0.845 . . . . 0.0 109.705 -179.88 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.445 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 0.8 OUTLIER -80.35 -45.24 18.11 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.353 -0.842 . . . . 0.0 109.638 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.555 ' CB ' ' CB ' ' A' ' 39' ' ' GLU . 9.0 tp -79.84 -43.85 21.61 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.146 -0.971 . . . . 0.0 109.988 -179.645 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.55 ' O ' ' CG2' ' B' ' 8' ' ' VAL . 7.9 tt0 -61.82 -44.46 96.8 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.002 -1.061 . . . . 0.0 110.126 -179.313 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.473 ' CG ' ' O ' ' B' ' 1' ' ' SER . 1.7 pttt -70.83 -35.99 72.71 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.711 -1.243 . . . . 0.0 110.091 -179.519 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . 0.465 ' HB3' ' HB1' ' A' ' 9' ' ' ALA . . . -80.55 -69.97 0.56 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.123 -0.986 . . . . 0.0 110.274 -179.371 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' MET . . . . . 0.543 ' CE ' ' HA ' ' A' ' 78' ' ' SER . 4.3 tpt -45.84 -51.54 12.78 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.447 -0.783 . . . . 0.0 110.197 -179.329 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . 0.55 ' CG2' ' O ' ' B' ' 4' ' ' GLU . 23.1 t -61.26 -34.89 62.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.212 -0.93 . . . . 0.0 109.407 -179.29 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . 0.469 ' HB1' ' HB3' ' A' ' 6' ' ' ALA . . . -55.62 -38.66 69.78 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.074 -1.016 . . . . 0.0 108.843 179.3 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.424 HD13 ' SD ' ' A' ' 7' ' ' MET . 0.5 OUTLIER -58.73 -52.3 66.3 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.279 -0.888 . . . . 0.0 108.712 179.427 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.596 HG21 ' CZ ' ' A' ' 88' ' ' PHE . 1.1 mp -49.06 -36.94 9.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 179.292 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -55.45 -50.99 68.4 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.401 -0.812 . . . . 0.0 109.507 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . 0.467 HG21 ' HB3' ' A' ' 2' ' ' GLU . 46.5 t -49.49 -36.62 10.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.39 -0.819 . . . . 0.0 109.942 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.485 ' HB3' ' CE2' ' A' ' 88' ' ' PHE . 2.2 t80 -58.1 -44.47 87.69 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.145 -0.972 . . . . 0.0 109.697 -179.65 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -80.7 -7.52 59.36 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.197 -0.939 . . . . 0.0 109.546 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.44 ' HB2' ' HA ' ' B' ' 13' ' ' VAL . 0.6 OUTLIER -83.35 -26.5 30.47 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.303 -0.873 . . . . 0.0 109.409 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -106.67 -53.04 2.68 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.294 -0.879 . . . . 0.0 109.537 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.441 ' O ' ' O ' ' B' ' 21' ' ' GLU . 0.2 OUTLIER -48.31 -56.7 7.39 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.21 -0.931 . . . . 0.0 109.365 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' B' ' 18' ' ' SER . . . -45.05 -57.91 5.25 Favored Glycine 0 N--CA 1.489 2.171 0 N-CA-C 109.407 -1.477 . . . . 0.0 109.407 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 42.8 mtp180 -50.77 -91.45 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.244 -1.15 . . . . 0.0 109.455 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.441 ' O ' ' O ' ' B' ' 18' ' ' SER . 0.6 OUTLIER -107.91 -162.24 0.82 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.269 -0.895 . . . . 0.0 109.428 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 73.2 -149.51 42.56 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.422 ' HB2' ' HB2' ' B' ' 26' ' ' LYS . 0.5 OUTLIER -91.59 -172.76 3.34 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.316 -1.108 . . . . 0.0 109.503 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.518 ' O ' ' ND1' ' B' ' 25' ' ' HIS . 1.2 mmtt -76.84 -35.27 57.63 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.21 -0.931 . . . . 0.0 109.41 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . 0.575 ' O ' ' CE1' ' B' ' 70' ' ' PHE . 23.4 m-70 -147.03 35.36 0.91 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.284 -0.885 . . . . 0.0 109.409 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.433 ' HG2' ' C ' ' B' ' 25' ' ' HIS . 6.7 mttm -137.16 145.45 43.78 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.265 -0.897 . . . . 0.0 109.165 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.512 ' O ' ' CB ' ' B' ' 68' ' ' CYS . 0.1 OUTLIER -115.75 137.09 52.43 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.156 -0.965 . . . . 0.0 109.007 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.495 ' HG3' ' HA ' ' B' ' 67' ' ' GLU . 0.1 OUTLIER -88.61 174.29 8.14 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.959 -1.088 . . . . 0.0 109.946 -179.311 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.523 ' O ' ' CD2' ' B' ' 60' ' ' LEU . 6.4 ptpt -76.35 -15.82 59.88 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.334 -0.854 . . . . 0.0 109.788 -179.642 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.46 -44.13 19.74 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.044 -1.035 . . . . 0.0 108.607 179.196 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.466 ' O ' ' HB2' ' B' ' 35' ' ' LEU . 4.5 tt0 -80.45 -17.29 52.14 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 178.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.451 ' O ' HG13 ' B' ' 36' ' ' ILE . 19.2 tp -80.14 -41.85 24.63 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 178.636 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.468 ' HG3' ' HB3' ' B' ' 60' ' ' LEU . 10.6 tttt -59.34 -43.69 92.72 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 178.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.541 ' O ' ' CB ' ' B' ' 38' ' ' ASN . 13.6 pt-20 -71.96 -36.73 69.95 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 179.423 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.469 ' N ' ' HG3' ' B' ' 34' ' ' GLU . 0.1 OUTLIER -50.9 -42.44 59.31 Favored 'General case' 0 C--N 1.297 -1.679 0 O-C-N 121.78 -0.575 . . . . 0.0 109.578 179.87 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.451 HG13 ' O ' ' B' ' 32' ' ' LEU . 0.3 OUTLIER -81.54 -57.23 4.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.268 -0.895 . . . . 0.0 110.324 -179.473 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -68.52 -0.7 5.37 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.196 -0.94 . . . . 0.0 111.161 -178.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.541 ' CB ' ' O ' ' B' ' 34' ' ' GLU . 1.4 t30 -111.01 -77.01 0.59 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.797 -1.189 . . . . 0.0 109.591 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.545 ' CB ' ' CB ' ' A' ' 3' ' ' LEU . 0.9 OUTLIER -49.73 -49.47 47.84 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.162 -0.961 . . . . 0.0 109.015 179.698 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.543 ' O ' ' CB ' ' B' ' 41' ' ' SER . 13.4 mt -88.66 -103.56 0.08 Allowed 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.098 -1.001 . . . . 0.0 108.855 179.324 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.543 ' CB ' ' O ' ' B' ' 40' ' ' LEU . 0.4 OUTLIER 81.21 -42.0 0.16 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.227 -0.921 . . . . 0.0 110.653 179.169 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 80.9 m-70 -67.41 -14.7 63.16 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.882 -1.136 . . . . 0.0 109.934 -179.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -108.47 45.85 1.0 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.176 -0.952 . . . . 0.0 109.808 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.553 ' O ' ' CD1' ' B' ' 44' ' ' LEU . 2.8 tm? -127.46 -6.22 5.85 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.3 -0.875 . . . . 0.0 109.399 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.429 ' HG2' ' OE1' ' B' ' 46' ' ' GLU . 25.4 pt-20 -104.07 17.53 23.91 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.943 -1.098 . . . . 0.0 109.748 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.465 ' O ' ' HG2' ' B' ' 46' ' ' GLU . 2.4 pm0 -150.12 83.35 1.38 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.305 -0.872 . . . . 0.0 109.308 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.523 ' CG2' ' HB2' ' B' ' 83' ' ' ALA . 1.6 mp -151.43 138.36 13.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.292 -0.88 . . . . 0.0 109.389 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.528 ' N ' ' HB2' ' B' ' 85' ' ' HIS . 3.1 ttpt -99.1 -21.12 16.33 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.226 -0.921 . . . . 0.0 108.893 179.581 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.536 ' HB3' ' CG2' ' B' ' 52' ' ' VAL . 4.0 mm-40 -84.45 69.03 10.48 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.285 -0.885 . . . . 0.0 109.074 179.684 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . 0.551 ' O ' ' CB ' ' B' ' 54' ' ' ASP . 39.4 tt0 -53.44 -22.1 7.2 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.262 -0.899 . . . . 0.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.493 ' O ' ' CB ' ' B' ' 55' ' ' LYS . 2.4 mt-10 -80.17 -34.9 37.18 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.161 -0.962 . . . . 0.0 110.02 -179.763 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.536 ' CG2' ' HB3' ' B' ' 49' ' ' GLU . 61.1 t -69.3 -47.86 71.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.019 -1.051 . . . . 0.0 109.66 -179.687 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.456 HG12 ' CD2' ' B' ' 44' ' ' LEU . 44.1 t -77.02 -34.03 21.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.136 -0.978 . . . . 0.0 109.415 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . 0.551 ' CB ' ' O ' ' B' ' 50' ' ' GLN . 15.4 t70 -80.1 -14.61 58.37 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.202 -0.936 . . . . 0.0 109.213 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.506 ' O ' ' HG2' ' B' ' 58' ' ' GLU . 1.4 tmtm? -80.19 -38.24 31.62 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.959 -1.088 . . . . 0.0 108.568 179.503 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.567 HG13 ' CE2' ' B' ' 76' ' ' PHE . 2.5 m -81.49 -32.23 11.71 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 178.343 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.443 ' HA ' ' HE1' ' B' ' 57' ' ' MET . 0.0 OUTLIER -78.19 -23.77 47.44 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.705 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . 0.523 ' HG3' ' N ' ' B' ' 59' ' ' THR . 23.0 pt-20 -80.28 -44.06 20.26 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.151 -0.968 . . . . 0.0 108.979 179.683 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' THR . . . . . 0.523 ' N ' ' HG3' ' B' ' 58' ' ' GLU . 0.2 OUTLIER -71.63 -28.62 63.9 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 178.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.523 ' CD2' ' O ' ' B' ' 29' ' ' LYS . 11.4 mt -69.62 -54.15 15.36 Favored 'General case' 0 C--N 1.303 -1.419 0 CA-C-O 121.536 0.684 . . . . 0.0 109.33 179.598 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -80.52 -8.75 59.69 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.561 -0.712 . . . . 0.0 109.843 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.481 ' HB2' ' O ' ' B' ' 58' ' ' GLU . 4.2 tt0 -71.46 -66.05 0.67 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.131 -0.981 . . . . 0.0 109.611 -179.627 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -84.0 -58.34 2.82 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.264 -0.898 . . . . 0.0 109.664 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.78 -16.23 37.79 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -133.07 74.81 1.59 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.197 -1.178 . . . . 0.0 109.579 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.492 ' O ' ' CG ' ' B' ' 28' ' ' LYS . . . -139.97 161.21 26.33 Favored Glycine 0 N--CA 1.489 2.192 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.495 ' HA ' ' HG3' ' B' ' 28' ' ' LYS . 2.9 mp0 -97.7 148.64 23.13 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.261 -1.141 . . . . 0.0 110.04 -179.606 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.512 ' CB ' ' O ' ' B' ' 27' ' ' LEU . 2.8 m -128.12 174.65 9.06 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.39 -0.819 . . . . 0.0 108.865 179.612 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -121.0 -151.98 0.5 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.153 -0.967 . . . . 0.0 110.103 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.575 ' CE1' ' O ' ' B' ' 25' ' ' HIS . 69.9 m-85 -92.38 -50.56 5.58 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.328 -0.858 . . . . 0.0 110.047 -179.348 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . 0.444 ' HG2' ' OG1' ' A' ' 82' ' ' THR . 13.9 mt-30 -67.83 -16.14 63.96 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.105 -0.997 . . . . 0.0 108.854 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.463 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 0.6 OUTLIER -81.81 -58.97 2.76 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 179.201 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -62.54 -21.65 65.71 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 179.237 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' MET . . . . . 0.462 ' HB2' ' O ' ' B' ' 70' ' ' PHE . 20.9 mmm -80.71 -55.06 5.09 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.472 -0.767 . . . . 0.0 109.601 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.447 ' O ' ' CG ' ' B' ' 79' ' ' MET . . . -68.23 -12.93 61.8 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.567 ' CE2' HG13 ' B' ' 56' ' ' VAL . 0.7 OUTLIER -79.96 -44.65 19.89 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.426 -0.796 . . . . 0.0 108.958 179.287 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.465 HG11 ' O ' ' B' ' 77' ' ' VAL . 55.7 t -63.23 -27.07 42.38 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.287 -0.883 . . . . 0.0 109.453 179.533 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.532 ' HA ' ' CE ' ' A' ' 7' ' ' MET . 0.0 OUTLIER -76.96 -49.59 15.16 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.216 -0.928 . . . . 0.0 110.285 -179.549 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' MET . . . . . 0.48 ' HB3' ' CG1' ' B' ' 52' ' ' VAL . 0.7 OUTLIER -50.19 -41.68 49.92 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.139 -0.975 . . . . 0.0 110.543 -179.155 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . 0.47 HG12 HG22 ' B' ' 56' ' ' VAL . 2.5 m -80.37 -42.76 21.55 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 120.984 -1.073 . . . . 0.0 111.117 -178.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.478 ' OG1' ' HE1' ' A' ' 7' ' ' MET . 1.9 m -73.12 -6.09 43.38 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.755 -1.215 . . . . 0.0 109.909 -179.376 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.468 ' OG1' ' O ' ' B' ' 78' ' ' SER . 75.0 p -138.24 18.57 2.77 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.226 -0.921 . . . . 0.0 109.278 179.56 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . 0.549 ' O ' ' CB ' ' B' ' 84' ' ' CYS . . . -49.68 -52.95 27.39 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.274 -0.891 . . . . 0.0 109.193 179.762 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . 0.549 ' CB ' ' O ' ' B' ' 83' ' ' ALA . 0.7 OUTLIER 161.46 -173.16 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.227 -0.921 . . . . 0.0 110.346 179.646 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.528 ' HB2' ' N ' ' B' ' 48' ' ' LYS . 1.5 t-160 76.62 -158.22 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.508 -0.745 . . . . 0.0 109.774 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -84.28 85.44 7.37 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.412 -0.805 . . . . 0.0 108.86 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . 0.465 ' CE2' ' CD1' ' B' ' 88' ' ' PHE . 22.4 p90 -112.88 19.22 17.52 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.228 -0.92 . . . . 0.0 109.358 -179.73 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.579 ' CZ ' HG21 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -130.34 -5.46 4.29 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.393 -0.817 . . . . 0.0 109.712 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' B' ' 88' ' ' PHE . 37.0 tt0 42.0 53.2 4.26 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.2 -0.938 . . . . 0.0 109.783 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 31.6 p80 -76.05 -29.01 57.88 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.245 -0.909 . . . . 0.0 109.545 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 117.933 -1.032 . . . . 0.0 109.414 -179.874 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' MET . . . . . 0.493 ' N ' ' OE1' ' A' ' 4' ' ' GLU . 2.2 ptt? . . . . . 0 N--CA 1.488 1.471 0 CA-C-O 121.258 0.552 . . . . 0.0 109.571 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.469 ' OG ' ' HB3' ' A' ' 4' ' ' GLU . 21.2 p -94.74 -172.27 2.69 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.268 -0.895 . . . . 0.0 109.551 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.526 ' HB2' ' CG2' ' B' ' 13' ' ' VAL . 30.0 mm-40 -80.09 -42.48 23.53 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.206 -0.934 . . . . 0.0 109.659 -179.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.523 HD23 ' CD1' ' B' ' 35' ' ' LEU . 5.8 tp -80.0 -48.05 13.97 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.193 -0.942 . . . . 0.0 110.15 -179.566 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.548 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 8.0 tt0 -63.39 -38.69 92.14 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.053 -1.029 . . . . 0.0 110.137 -179.187 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.464 ' HD3' ' HA ' ' A' ' 0' ' ' MET . 25.1 tptt -80.34 -38.27 30.89 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.855 -1.153 . . . . 0.0 109.837 -179.647 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.466 ' HB3' ' HB1' ' B' ' 9' ' ' ALA . . . -80.26 -65.86 0.95 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.206 -0.934 . . . . 0.0 109.861 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.515 ' HE3' ' CG1' ' B' ' 77' ' ' VAL . 9.9 tpt -46.59 -52.81 12.74 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.468 -0.77 . . . . 0.0 110.033 -179.695 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.548 ' CG2' ' O ' ' A' ' 4' ' ' GLU . 22.3 t -62.74 -32.63 56.34 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.537 0 O-C-N 121.311 -0.868 . . . . 0.0 109.552 -179.53 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.467 ' HB1' ' HB3' ' B' ' 6' ' ' ALA . . . -58.76 -43.9 90.43 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.185 -0.947 . . . . 0.0 108.45 179.209 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.462 ' CD2' HD13 ' B' ' 3' ' ' LEU . 0.3 OUTLIER -50.64 -45.79 57.94 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 179.043 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.441 HG12 ' HB2' ' B' ' 87' ' ' PHE . 0.1 OUTLIER -52.51 -42.69 40.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 178.938 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -52.71 -50.17 63.9 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.413 -0.804 . . . . 0.0 109.259 179.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.518 ' CG2' ' HB2' ' B' ' 2' ' ' GLU . 94.4 t -47.93 -35.26 4.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.374 -0.828 . . . . 0.0 109.59 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.561 ' HB3' ' CZ ' ' B' ' 88' ' ' PHE . 1.1 t80 -59.99 -44.71 94.34 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.063 -1.023 . . . . 0.0 109.723 -179.787 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 20.1 t-80 -65.32 -14.89 61.83 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.185 -0.947 . . . . 0.0 109.811 -179.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.0 tp60 -89.84 -61.82 1.61 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.1 -1.0 . . . . 0.0 109.959 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.472 ' O ' ' HB2' ' A' ' 20' ' ' ARG . 44.9 m-85 -69.06 -57.62 5.18 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.25 -0.906 . . . . 0.0 110.22 -179.399 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.466 ' O ' ' O ' ' A' ' 23' ' ' ASP . 4.9 t -65.25 -36.07 83.0 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.029 -1.044 . . . . 0.0 109.869 -179.567 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.27 -5.52 49.25 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.982 -1.247 . . . . 0.0 109.982 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.472 ' HB2' ' O ' ' A' ' 17' ' ' TYR . 9.6 mtt-85 -48.88 -39.34 25.5 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.126 -1.22 . . . . 0.0 109.72 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -136.45 -160.38 1.05 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.247 -0.908 . . . . 0.0 109.955 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.513 ' O ' ' N ' ' A' ' 24' ' ' LYS . . . -54.95 -34.4 57.73 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.714 -1.354 . . . . 0.0 109.714 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.466 ' O ' ' O ' ' A' ' 18' ' ' SER . 28.5 m-20 -47.07 93.74 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.297 -1.119 . . . . 0.0 109.4 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.513 ' N ' ' O ' ' A' ' 22' ' ' GLY . 23.5 mttm -106.54 12.65 29.25 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.262 -0.899 . . . . 0.0 109.487 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -160.2 23.87 0.16 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.345 -0.847 . . . . 0.0 109.551 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.46 ' O ' ' OG ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -149.24 162.03 40.84 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.273 -0.892 . . . . 0.0 109.332 -179.909 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.464 ' O ' ' HB2' ' A' ' 67' ' ' GLU . 0.6 OUTLIER -136.18 -154.57 0.57 Allowed 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.379 -0.826 . . . . 0.0 108.794 179.467 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.502 ' HA ' ' HA ' ' A' ' 67' ' ' GLU . 0.7 OUTLIER -149.43 148.79 29.87 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.227 -0.921 . . . . 0.0 108.94 179.649 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.581 ' HD2' ' N ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -58.66 -27.32 64.67 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.092 -1.005 . . . . 0.0 109.582 -179.778 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.554 ' N ' ' HG2' ' A' ' 29' ' ' LYS . 41.2 t -77.32 -38.58 50.17 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.16 -0.962 . . . . 0.0 109.953 -179.497 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.477 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 9.9 tt0 -78.64 -17.94 55.24 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 120.967 -1.083 . . . . 0.0 108.754 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.475 ' O ' HG13 ' A' ' 36' ' ' ILE . 50.9 tp -81.1 -46.72 14.53 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 178.664 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.457 ' CG ' HD11 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -54.85 -43.0 72.67 Favored 'General case' 0 N--CA 1.486 1.374 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 178.845 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.535 ' HG3' ' N ' ' A' ' 35' ' ' LEU . 8.5 pt-20 -71.1 -41.63 70.35 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 179.187 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.535 ' N ' ' HG3' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -46.41 -42.59 15.38 Favored 'General case' 0 C--N 1.299 -1.587 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 179.348 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.547 ' CG2' ' CG2' ' A' ' 80' ' ' VAL . 0.6 OUTLIER -79.8 -61.3 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.316 -0.865 . . . . 0.0 109.76 -179.756 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.473 ' O ' ' HB2' ' A' ' 41' ' ' SER . 34.1 t-20 -67.33 -64.02 0.94 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.321 -0.862 . . . . 0.0 109.994 -179.327 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.469 ' HB3' ' O ' ' A' ' 34' ' ' GLU . 10.8 t30 -41.58 -51.38 3.96 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.352 -0.842 . . . . 0.0 110.592 -179.379 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.475 ' HB2' ' O ' ' A' ' 35' ' ' LEU . 4.0 mm-40 -81.25 -83.41 0.11 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.998 -1.064 . . . . 0.0 110.813 -178.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.478 ' HG ' HD21 ' B' ' 3' ' ' LEU . 20.8 mt -46.77 -87.74 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.408 0 O-C-N 120.96 -1.087 . . . . 0.0 110.096 -179.045 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.473 ' HB2' ' O ' ' A' ' 37' ' ' ASN . 0.4 OUTLIER 44.28 58.6 3.67 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.135 -0.978 . . . . 0.0 109.653 -179.778 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 -140.97 -66.78 0.42 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.111 -0.993 . . . . 0.0 109.624 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -62.92 -12.74 27.36 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.162 -0.961 . . . . 0.0 109.399 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.501 ' CD1' ' CD1' ' A' ' 47' ' ' ILE . 0.5 OUTLIER -62.83 88.25 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.282 -0.886 . . . . 0.0 109.7 -179.785 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -134.15 -58.18 0.85 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.352 -0.842 . . . . 0.0 109.058 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.469 ' O ' ' O ' ' A' ' 47' ' ' ILE . 44.8 mt-10 -115.91 -36.96 4.0 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.483 -0.761 . . . . 0.0 108.969 179.646 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.501 ' CD1' ' CD1' ' A' ' 44' ' ' LEU . 0.0 OUTLIER 59.33 121.43 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.414 -0.804 . . . . 0.0 109.527 179.653 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.437 ' O ' ' HD2' ' A' ' 48' ' ' LYS . 2.8 tmmm? -103.48 -21.39 13.79 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.165 -0.959 . . . . 0.0 109.372 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.446 ' HB3' ' HB ' ' A' ' 52' ' ' VAL . 8.0 mm-40 -104.62 65.29 0.76 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.273 -0.892 . . . . 0.0 109.222 179.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.532 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -52.26 -22.04 4.04 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.333 -0.854 . . . . 0.0 109.509 -179.9 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.476 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -79.82 -37.34 35.31 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.245 -0.909 . . . . 0.0 109.651 -179.836 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.482 ' CG1' ' CB ' ' A' ' 79' ' ' MET . 88.1 t -67.87 -47.57 78.82 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 121.221 -0.924 . . . . 0.0 109.463 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 94.6 t -74.2 -35.03 39.42 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.177 -0.952 . . . . 0.0 109.144 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.532 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 34.5 t70 -75.1 -17.32 60.47 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.279 -0.888 . . . . 0.0 108.932 179.425 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.476 ' HB2' ' O ' ' A' ' 51' ' ' GLU . 4.1 mtpt -79.49 -48.74 13.39 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.212 -0.93 . . . . 0.0 109.482 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.587 HG13 ' CG ' ' A' ' 76' ' ' PHE . 3.0 m -72.94 -36.04 50.48 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 O-C-N 121.172 -0.955 . . . . 0.0 109.153 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 48.4 tpp -72.33 -26.3 61.88 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.476 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 3.5 mt-10 -74.8 -49.87 19.22 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.199 -0.938 . . . . 0.0 108.783 179.416 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.9 m -65.08 -25.93 68.01 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 179.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.519 ' CD2' ' O ' ' A' ' 29' ' ' LYS . 10.6 mt -68.06 -53.67 23.89 Favored 'General case' 0 C--N 1.303 -1.418 0 CA-C-O 121.551 0.691 . . . . 0.0 109.283 179.427 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.89 -7.43 58.73 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.532 -0.73 . . . . 0.0 109.8 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.4 ' HB2' ' O ' ' A' ' 58' ' ' GLU . 30.9 tt0 -80.69 -44.71 18.32 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.106 -0.996 . . . . 0.0 109.606 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.45 -73.18 0.39 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.351 -0.843 . . . . 0.0 109.508 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.46 ' HA2' ' HG3' ' A' ' 29' ' ' LYS . . . 63.32 11.16 38.81 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.741 -1.343 . . . . 0.0 109.741 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.581 ' N ' ' HD2' ' A' ' 29' ' ' LYS . 10.4 t0 -144.56 -29.52 0.47 Allowed 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.183 -1.186 . . . . 0.0 110.652 -179.385 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.473 ' O ' ' HD3' ' A' ' 29' ' ' LYS . . . -89.19 168.57 35.38 Favored Glycine 0 N--CA 1.488 2.113 0 C-N-CA 119.861 -1.161 . . . . 0.0 110.614 -178.634 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.502 ' HA ' ' HA ' ' A' ' 28' ' ' LYS . 9.4 pt-20 -101.15 168.59 9.48 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.641 -0.917 . . . . 0.0 109.987 -179.487 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 34.4 m -113.47 164.79 13.16 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.389 -0.819 . . . . 0.0 109.308 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -97.63 179.32 4.88 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.196 -0.94 . . . . 0.0 109.249 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.42 ' O ' ' HB2' ' A' ' 74' ' ' MET . 0.1 OUTLIER -80.72 -33.84 34.96 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.168 -0.957 . . . . 0.0 108.598 179.445 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.442 ' HG2' ' HB ' ' B' ' 82' ' ' THR . 11.5 mt-30 -79.78 -27.17 40.43 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 179.106 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.28 -53.96 8.67 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.329 -0.857 . . . . 0.0 108.892 179.405 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.484 ' CE1' ' CD1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -63.07 -24.34 67.86 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 179.349 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.46 ' HE2' ' HB3' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -72.05 -50.13 30.97 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.591 -0.693 . . . . 0.0 109.533 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.521 ' O ' ' CG ' ' A' ' 79' ' ' MET . . . -72.25 -16.85 61.93 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.225 -0.922 . . . . 0.0 108.97 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.587 ' CG ' HG13 ' A' ' 56' ' ' VAL . 1.0 OUTLIER -78.95 -34.23 44.6 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.406 -0.809 . . . . 0.0 109.356 179.738 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.51 ' CG1' ' HE3' ' B' ' 7' ' ' MET . 76.5 t -72.41 -26.17 24.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.229 -0.919 . . . . 0.0 109.463 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.488 ' HA ' ' CE ' ' B' ' 7' ' ' MET . 0.8 OUTLIER -77.38 -46.71 21.9 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.303 -0.873 . . . . 0.0 110.342 -179.321 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.521 ' CG ' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -54.5 -52.68 61.17 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.162 -0.962 . . . . 0.0 109.415 -179.416 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.547 ' CG2' ' CG2' ' A' ' 36' ' ' ILE . 16.9 m -65.22 -44.03 95.24 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 O-C-N 121.433 -0.792 . . . . 0.0 110.634 -179.1 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.478 ' CB ' ' HE1' ' B' ' 7' ' ' MET . 13.0 m -70.23 -4.27 20.98 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.97 -1.081 . . . . 0.0 110.039 -179.338 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.442 ' HB ' ' HG2' ' B' ' 71' ' ' GLN . 62.6 p -128.14 9.2 6.2 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.009 -1.057 . . . . 0.0 109.722 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -80.51 -15.89 55.61 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.225 -0.922 . . . . 0.0 109.225 179.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 84.6 m -89.16 -175.51 4.82 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.217 -0.927 . . . . 0.0 109.327 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -125.36 -4.83 7.24 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.166 -0.959 . . . . 0.0 109.541 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -105.4 66.34 0.74 Allowed 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.189 -0.944 . . . . 0.0 109.695 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.645 ' CE1' ' CD2' ' A' ' 88' ' ' PHE . 0.1 OUTLIER -116.07 -2.24 12.29 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.274 -0.891 . . . . 0.0 109.579 179.683 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.645 ' CD2' ' CE1' ' A' ' 87' ' ' PHE . 23.1 m-85 -126.47 40.99 3.61 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.203 -0.936 . . . . 0.0 109.484 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.432 ' O ' ' CB ' ' A' ' 90' ' ' HIS . 1.6 mp0 -138.61 -90.82 0.21 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.144 -0.972 . . . . 0.0 109.639 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.432 ' CB ' ' O ' ' A' ' 89' ' ' GLU . 3.2 p-80 168.11 88.08 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.263 -0.898 . . . . 0.0 109.262 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.423 ' HB2' ' O ' ' A' ' 90' ' ' HIS . 1.3 tt0 . . . . . 0 N--CA 1.489 1.51 0 CA-C-O 118.054 -0.974 . . . . 0.0 109.476 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 0' ' ' MET . . . . . 0.498 ' N ' ' OE1' ' B' ' 4' ' ' GLU . 2.2 ptt? . . . . . 0 N--CA 1.489 1.503 0 CA-C-O 121.244 0.545 . . . . 0.0 109.55 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.466 ' OG ' ' HB3' ' B' ' 4' ' ' GLU . 21.3 p -94.7 -172.24 2.68 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.206 -0.934 . . . . 0.0 109.496 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.518 ' HB2' ' CG2' ' A' ' 13' ' ' VAL . 29.8 mm-40 -80.05 -42.62 23.38 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.279 -0.888 . . . . 0.0 109.699 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.515 HD23 ' CD1' ' A' ' 35' ' ' LEU . 5.8 tp -80.03 -47.98 14.03 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.289 -0.882 . . . . 0.0 110.024 -179.518 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.549 ' O ' ' CG2' ' B' ' 8' ' ' VAL . 8.0 tt0 -63.41 -38.7 92.15 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 120.977 -1.077 . . . . 0.0 110.152 -179.111 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.472 ' HD3' ' HA ' ' B' ' 0' ' ' MET . 25.2 tptt -80.4 -38.21 30.73 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.897 -1.127 . . . . 0.0 109.799 -179.587 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . 0.467 ' HB3' ' HB1' ' A' ' 9' ' ' ALA . . . -80.14 -65.98 0.94 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.251 -0.906 . . . . 0.0 109.847 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' MET . . . . . 0.51 ' HE3' ' CG1' ' A' ' 77' ' ' VAL . 9.9 tpt -46.62 -52.78 12.89 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.562 -0.711 . . . . 0.0 109.862 -179.589 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . 0.549 ' CG2' ' O ' ' B' ' 4' ' ' GLU . 22.5 t -62.86 -32.61 56.51 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.567 0 O-C-N 121.345 -0.847 . . . . 0.0 109.5 -179.438 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . 0.466 ' HB1' ' HB3' ' A' ' 6' ' ' ALA . . . -58.76 -43.83 90.42 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.05 -1.031 . . . . 0.0 108.509 179.12 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.468 ' CD2' HD13 ' A' ' 3' ' ' LEU . 0.3 OUTLIER -50.79 -45.61 59.25 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 179.074 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.441 HG12 ' HB2' ' A' ' 87' ' ' PHE . 0.1 OUTLIER -52.58 -42.65 40.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 178.908 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -52.8 -50.12 64.28 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.338 -0.851 . . . . 0.0 109.178 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . 0.526 ' CG2' ' HB2' ' A' ' 2' ' ' GLU . 94.8 t -47.95 -35.23 4.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.535 -0.728 . . . . 0.0 109.663 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.543 ' HB3' ' CZ ' ' A' ' 88' ' ' PHE . 1.1 t80 -59.99 -44.71 94.34 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.101 -1.0 . . . . 0.0 109.71 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 20.1 t-80 -65.27 -14.92 61.86 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.186 -0.946 . . . . 0.0 109.839 -179.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 15.0 tp60 -89.86 -61.82 1.61 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.237 -0.915 . . . . 0.0 109.989 -179.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.479 ' O ' ' HB2' ' B' ' 20' ' ' ARG . 44.5 m-85 -69.02 -57.6 5.22 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.315 -0.866 . . . . 0.0 110.18 -179.417 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.466 ' O ' ' O ' ' B' ' 23' ' ' ASP . 4.9 t -65.34 -36.06 82.89 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.14 -0.975 . . . . 0.0 109.879 -179.549 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.34 -5.31 48.63 Favored Glycine 0 N--CA 1.492 2.43 0 N-CA-C 109.991 -1.244 . . . . 0.0 109.991 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.479 ' HB2' ' O ' ' B' ' 17' ' ' TYR . 9.5 mtt-85 -48.97 -39.38 26.29 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.217 -1.167 . . . . 0.0 109.666 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -136.46 -160.3 1.04 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.31 -0.869 . . . . 0.0 109.81 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . 0.514 ' O ' ' N ' ' B' ' 24' ' ' LYS . . . -55.09 -34.34 58.3 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.656 -1.378 . . . . 0.0 109.656 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.466 ' O ' ' O ' ' B' ' 18' ' ' SER . 28.4 m-20 -47.05 93.75 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.273 -1.133 . . . . 0.0 109.433 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.514 ' N ' ' O ' ' B' ' 22' ' ' GLY . 23.5 mttm -106.55 12.74 29.15 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.378 -0.826 . . . . 0.0 109.37 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -160.27 23.75 0.16 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.246 -0.909 . . . . 0.0 109.535 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.452 ' O ' ' OG ' ' B' ' 18' ' ' SER . 0.0 OUTLIER -149.13 162.09 40.67 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.191 -0.943 . . . . 0.0 109.42 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.474 ' O ' ' HB2' ' B' ' 67' ' ' GLU . 0.6 OUTLIER -136.24 -154.62 0.57 Allowed 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.356 -0.84 . . . . 0.0 108.849 179.507 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.493 ' HA ' ' HA ' ' B' ' 67' ' ' GLU . 0.7 OUTLIER -149.36 148.78 29.9 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.22 -0.925 . . . . 0.0 109.003 179.617 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.581 ' HD2' ' N ' ' B' ' 65' ' ' ASP . 0.0 OUTLIER -58.56 -27.29 64.44 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.137 -0.977 . . . . 0.0 109.723 -179.845 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.556 ' N ' ' HG2' ' B' ' 29' ' ' LYS . 41.0 t -77.41 -38.61 49.34 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.164 -0.96 . . . . 0.0 109.936 -179.514 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.482 ' O ' ' HG2' ' B' ' 34' ' ' GLU . 9.9 tt0 -78.68 -17.92 55.17 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.021 -1.049 . . . . 0.0 108.684 179.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.473 ' O ' HG13 ' B' ' 36' ' ' ILE . 50.8 tp -81.07 -46.8 14.44 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 107.724 -1.213 . . . . 0.0 107.724 178.615 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.455 ' CG ' HD11 ' B' ' 60' ' ' LEU . 0.1 OUTLIER -54.81 -42.94 72.46 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 178.828 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.535 ' HG3' ' N ' ' B' ' 35' ' ' LEU . 8.6 pt-20 -71.06 -41.81 70.26 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 179.127 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.535 ' N ' ' HG3' ' B' ' 34' ' ' GLU . 0.2 OUTLIER -46.4 -42.64 15.39 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 179.412 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.535 ' CG2' ' CG2' ' B' ' 80' ' ' VAL . 0.6 OUTLIER -79.74 -61.22 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.351 -0.843 . . . . 0.0 109.816 -179.845 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.486 ' O ' ' HB2' ' B' ' 41' ' ' SER . 34.0 t-20 -67.44 -63.97 0.95 Allowed 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.241 -0.912 . . . . 0.0 109.956 -179.336 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.475 ' HB3' ' O ' ' B' ' 34' ' ' GLU . 10.8 t30 -41.6 -51.35 4.0 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.238 -0.914 . . . . 0.0 110.56 -179.381 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.474 ' HB2' ' O ' ' B' ' 35' ' ' LEU . 4.0 mm-40 -81.35 -83.38 0.12 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.996 -1.065 . . . . 0.0 110.794 -178.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.469 ' HG ' HD21 ' A' ' 3' ' ' LEU . 20.8 mt -46.67 -87.94 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.956 -1.09 . . . . 0.0 110.079 -179.145 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.486 ' HB2' ' O ' ' B' ' 37' ' ' ASN . 0.4 OUTLIER 44.41 58.66 3.69 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.061 -1.024 . . . . 0.0 109.565 -179.809 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -141.03 -66.83 0.42 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.222 -0.923 . . . . 0.0 109.531 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -62.92 -12.74 27.31 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.192 -0.943 . . . . 0.0 109.473 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.497 ' CD1' ' CD1' ' B' ' 47' ' ' ILE . 0.5 OUTLIER -62.72 88.27 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.336 -0.853 . . . . 0.0 109.794 -179.857 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -134.21 -58.19 0.85 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.337 -0.852 . . . . 0.0 109.109 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.474 ' O ' ' O ' ' B' ' 47' ' ' ILE . 44.7 mt-10 -115.91 -36.94 4.0 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.474 -0.766 . . . . 0.0 108.985 179.653 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.497 ' CD1' ' CD1' ' B' ' 44' ' ' LEU . 0.0 OUTLIER 59.29 121.43 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.484 -0.76 . . . . 0.0 109.454 179.587 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.449 ' O ' ' HD2' ' B' ' 48' ' ' LYS . 2.8 tmmm? -103.41 -21.49 13.79 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.178 -0.951 . . . . 0.0 109.411 179.787 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.438 ' HB3' ' HB ' ' B' ' 52' ' ' VAL . 8.0 mm-40 -104.57 65.27 0.76 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.357 -0.84 . . . . 0.0 109.152 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . 0.536 ' O ' ' CB ' ' B' ' 54' ' ' ASP . 0.1 OUTLIER -52.24 -22.02 3.99 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.213 -0.929 . . . . 0.0 109.456 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.473 ' O ' ' HB2' ' B' ' 55' ' ' LYS . 0.0 OUTLIER -79.85 -37.36 35.12 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.183 -0.948 . . . . 0.0 109.666 -179.822 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.489 ' CG1' ' CB ' ' B' ' 79' ' ' MET . 88.2 t -67.91 -47.55 78.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.109 -0.994 . . . . 0.0 109.528 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 94.9 t -74.17 -35.09 39.77 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 O-C-N 121.167 -0.958 . . . . 0.0 109.209 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . 0.536 ' CB ' ' O ' ' B' ' 50' ' ' GLN . 34.5 t70 -75.05 -17.27 60.52 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.266 -0.896 . . . . 0.0 108.911 179.374 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.473 ' HB2' ' O ' ' B' ' 51' ' ' GLU . 4.0 mtpt -79.63 -48.71 13.28 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.233 -0.917 . . . . 0.0 109.42 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.586 HG13 ' CG ' ' B' ' 76' ' ' PHE . 3.0 m -72.85 -36.03 50.97 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 121.095 -1.003 . . . . 0.0 109.127 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 48.4 tpp -72.47 -26.26 61.74 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 179.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . 0.476 ' HB2' ' O ' ' B' ' 54' ' ' ASP . 3.5 mt-10 -74.73 -49.92 19.34 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.241 -0.912 . . . . 0.0 108.773 179.389 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 3.9 m -65.08 -25.95 68.02 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.145 -1.058 . . . . 0.0 108.145 179.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.509 ' CD2' ' O ' ' B' ' 29' ' ' LYS . 10.6 mt -68.08 -53.62 24.2 Favored 'General case' 0 C--N 1.303 -1.43 0 CA-C-O 121.482 0.658 . . . . 0.0 109.289 179.439 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.92 -7.42 58.75 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.636 -0.665 . . . . 0.0 109.837 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -80.67 -44.71 18.36 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.201 -0.937 . . . . 0.0 109.609 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.43 -73.23 0.39 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.4 -0.813 . . . . 0.0 109.564 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . 0.449 ' HA2' ' HG3' ' B' ' 29' ' ' LYS . . . 63.32 11.2 39.03 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.814 -1.314 . . . . 0.0 109.814 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.581 ' N ' ' HD2' ' B' ' 29' ' ' LYS . 10.4 t0 -144.55 -29.51 0.47 Allowed 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.181 -1.187 . . . . 0.0 110.618 -179.403 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.473 ' O ' ' HD3' ' B' ' 29' ' ' LYS . . . -89.1 168.56 35.5 Favored Glycine 0 N--CA 1.487 2.045 0 C-N-CA 119.769 -1.205 . . . . 0.0 110.732 -178.673 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.493 ' HA ' ' HA ' ' B' ' 28' ' ' LYS . 9.4 pt-20 -101.15 168.56 9.5 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.562 -0.964 . . . . 0.0 110.046 -179.56 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 34.3 m -113.49 164.83 13.12 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.394 -0.816 . . . . 0.0 109.23 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -97.66 179.34 4.86 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.257 -0.902 . . . . 0.0 109.244 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.411 ' O ' ' HB2' ' B' ' 74' ' ' MET . 0.1 OUTLIER -80.61 -33.95 35.47 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.231 -0.918 . . . . 0.0 108.583 179.417 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . 0.442 ' HG2' ' HB ' ' A' ' 82' ' ' THR . 11.4 mt-30 -79.73 -27.25 40.62 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.317 -0.865 . . . . 0.0 108.687 179.154 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.35 -53.79 8.95 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.333 -0.854 . . . . 0.0 108.849 179.49 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.477 ' CE1' ' CD1' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -63.14 -24.34 67.85 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 179.363 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' MET . . . . . 0.451 ' HE3' HD11 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -71.97 -50.31 29.93 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.58 -0.7 . . . . 0.0 109.46 -179.896 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.527 ' O ' ' CG ' ' B' ' 79' ' ' MET . . . -72.2 -16.7 61.95 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.133 -0.98 . . . . 0.0 109.002 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.586 ' CG ' HG13 ' B' ' 56' ' ' VAL . 1.0 OUTLIER -79.23 -34.06 43.13 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.443 -0.786 . . . . 0.0 109.298 179.757 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.515 ' CG1' ' HE3' ' A' ' 7' ' ' MET . 76.6 t -72.45 -26.2 23.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.383 -0.823 . . . . 0.0 109.405 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.474 ' HA ' ' CE ' ' A' ' 7' ' ' MET . 0.8 OUTLIER -77.37 -46.71 21.95 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.317 -0.865 . . . . 0.0 110.389 -179.312 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' MET . . . . . 0.527 ' CG ' ' O ' ' B' ' 75' ' ' ALA . 0.0 OUTLIER -54.47 -52.73 60.95 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.106 -0.996 . . . . 0.0 109.389 -179.411 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . 0.535 ' CG2' ' CG2' ' B' ' 36' ' ' ILE . 17.0 m -65.23 -44.02 95.21 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 O-C-N 121.358 -0.839 . . . . 0.0 110.623 -179.099 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.474 ' HB ' ' HE1' ' A' ' 7' ' ' MET . 13.5 m -70.23 -4.25 20.84 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.93 -1.106 . . . . 0.0 109.98 -179.363 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.442 ' HB ' ' HG2' ' A' ' 71' ' ' GLN . 59.6 p -128.15 9.2 6.2 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.952 -1.093 . . . . 0.0 109.716 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -80.57 -15.87 55.58 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.167 -0.958 . . . . 0.0 109.151 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 84.2 m -89.27 -175.53 4.8 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.357 -0.839 . . . . 0.0 109.357 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -125.19 -4.91 7.33 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.19 -0.944 . . . . 0.0 109.558 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -105.46 66.33 0.74 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.31 -0.869 . . . . 0.0 109.799 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . 0.653 ' CE1' ' CD2' ' B' ' 88' ' ' PHE . 0.1 OUTLIER -116.05 -2.24 12.3 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.171 -0.955 . . . . 0.0 109.586 179.75 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.653 ' CD2' ' CE1' ' B' ' 87' ' ' PHE . 23.1 m-85 -126.49 40.93 3.63 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.175 -0.953 . . . . 0.0 109.486 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.433 ' O ' ' CB ' ' B' ' 90' ' ' HIS . 1.6 mp0 -138.56 -90.86 0.21 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.19 -0.944 . . . . 0.0 109.654 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . 0.433 ' CB ' ' O ' ' B' ' 89' ' ' GLU . 3.2 p-80 168.1 88.11 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.257 -0.902 . . . . 0.0 109.261 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.424 ' HB2' ' O ' ' B' ' 90' ' ' HIS . 1.3 tt0 . . . . . 0 N--CA 1.488 1.469 0 CA-C-O 118.003 -0.998 . . . . 0.0 109.481 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 3.5 ttt . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.492 ' CB ' ' CD ' ' B' ' 39' ' ' GLU . 1.4 t -121.7 168.7 11.5 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.143 -0.973 . . . . 0.0 109.584 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.442 ' HB3' ' CG2' ' B' ' 13' ' ' VAL . 2.4 tp10 -80.15 -37.14 34.03 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.34 -0.85 . . . . 0.0 109.465 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.5 ' CD2' ' CD2' ' B' ' 40' ' ' LEU . 16.8 tp -77.93 -51.17 10.83 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.361 -0.837 . . . . 0.0 109.708 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.55 ' CG ' HG22 ' A' ' 8' ' ' VAL . 25.5 tt0 -53.18 -51.06 63.28 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.359 -0.838 . . . . 0.0 110.096 -179.412 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.534 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -57.45 -35.0 69.56 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.116 -0.99 . . . . 0.0 110.568 -178.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.531 ' HB3' ' N ' ' B' ' 10' ' ' LEU . . . -80.73 -71.06 0.48 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.001 -1.062 . . . . 0.0 110.395 -179.066 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.514 ' CG ' ' CG2' ' B' ' 81' ' ' THR . 31.9 tpp -49.8 -53.67 23.9 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.273 -0.892 . . . . 0.0 109.675 -179.402 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.55 HG22 ' CG ' ' A' ' 4' ' ' GLU . 4.5 t -61.96 -28.17 43.82 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.535 0 O-C-N 121.442 -0.786 . . . . 0.0 109.802 -179.448 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.534 ' CB ' ' O ' ' A' ' 5' ' ' LYS . . . -66.24 -43.62 86.05 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.018 -1.051 . . . . 0.0 109.128 179.601 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.537 ' CD2' ' CE ' ' A' ' 74' ' ' MET . 0.2 OUTLIER -51.55 -43.93 62.51 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.251 -0.906 . . . . 0.0 108.731 179.719 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.64 ' CG2' ' CD1' ' B' ' 88' ' ' PHE . 96.7 mt -53.07 -42.0 43.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.247 -0.908 . . . . 0.0 108.773 179.216 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 13' ' ' VAL . 11.9 t70 -54.52 -55.72 26.21 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.319 -0.863 . . . . 0.0 109.483 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.461 HG12 HD11 ' B' ' 3' ' ' LEU . 28.3 t -43.17 -32.45 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.435 -0.79 . . . . 0.0 109.484 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.402 ' HB3' ' CZ ' ' B' ' 88' ' ' PHE . 1.1 t80 -63.74 -69.41 0.28 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.18 -0.95 . . . . 0.0 109.896 -179.523 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 4.1 t-160 -45.87 -24.51 0.4 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.138 -0.976 . . . . 0.0 109.891 -179.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.32 -52.52 12.0 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.112 -0.992 . . . . 0.0 109.73 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.538 ' CD2' ' CD2' ' A' ' 35' ' ' LEU . 27.2 m-85 -91.14 19.88 5.46 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.254 -0.904 . . . . 0.0 109.835 -179.619 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.4 t -104.29 -31.23 9.67 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.06 -1.025 . . . . 0.0 109.355 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.86 -32.36 57.03 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.597 -1.401 . . . . 0.0 109.597 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.6 mtt85 -56.17 -69.32 0.15 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.255 -1.144 . . . . 0.0 109.435 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.454 ' O ' ' O ' ' A' ' 22' ' ' GLY . 2.4 mt-10 -122.64 -164.62 1.2 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.295 -0.878 . . . . 0.0 109.472 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.454 ' O ' ' O ' ' A' ' 21' ' ' GLU . . . 50.66 178.61 0.02 OUTLIER Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.569 -1.412 . . . . 0.0 109.569 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -69.1 -158.18 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.322 0 O-C-N 121.173 -1.192 . . . . 0.0 109.487 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.401 ' C ' ' CG ' ' A' ' 25' ' ' HIS . 4.6 mmtt -94.32 5.51 51.55 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.262 -0.899 . . . . 0.0 109.64 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.42 ' C ' ' HG2' ' A' ' 26' ' ' LYS . 47.4 m80 -152.08 28.07 0.6 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.121 -0.987 . . . . 0.0 109.395 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.42 ' HG2' ' C ' ' A' ' 25' ' ' HIS . 1.9 mmmm -142.81 138.25 30.23 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.308 -0.87 . . . . 0.0 109.171 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.526 ' CD1' ' HB3' ' A' ' 31' ' ' GLU . 0.3 OUTLIER -94.5 -157.14 0.54 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.25 -0.906 . . . . 0.0 109.427 -179.916 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.516 ' HA ' ' HA ' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -150.39 167.57 26.68 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.547 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.558 ' CB ' ' HA3' ' A' ' 64' ' ' GLY . 0.0 OUTLIER -76.16 -31.45 58.56 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.911 -1.118 . . . . 0.0 108.487 179.394 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.539 ' N ' ' HD2' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -79.11 -27.69 42.93 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.485 -0.759 . . . . 0.0 109.604 179.916 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.526 ' HB3' ' CD1' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -89.82 -22.09 22.26 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 179.393 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.499 ' O ' HG13 ' A' ' 36' ' ' ILE . 2.6 tp -81.7 -37.61 27.09 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 178.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.423 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 8.4 tttt -65.41 -32.84 74.69 Favored 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 179.423 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.556 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 7.6 pt-20 -80.55 -39.03 28.49 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 179.303 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.538 ' CD2' ' CD2' ' A' ' 17' ' ' TYR . 0.1 OUTLIER -49.77 -51.68 37.46 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 179.419 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.541 ' O ' ' HB2' ' A' ' 40' ' ' LEU . 0.1 OUTLIER -80.07 -52.46 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 CA-C-O 121.921 0.867 . . . . 0.0 109.597 -179.892 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -65.55 -1.19 2.42 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.228 -0.92 . . . . 0.0 111.461 -179.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.556 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 18.1 t30 -100.09 -43.92 6.17 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.712 -1.242 . . . . 0.0 109.302 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.543 ' CG ' ' HB2' ' B' ' 4' ' ' GLU . 42.9 tp10 -117.21 -36.66 3.71 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.314 -0.866 . . . . 0.0 109.381 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.586 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -74.15 -19.59 60.51 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.441 -0.787 . . . . 0.0 109.919 -179.785 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.425 ' HA ' HD12 ' A' ' 44' ' ' LEU . 0.2 OUTLIER -70.47 -9.47 56.62 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.373 -0.83 . . . . 0.0 109.865 -179.558 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -86.65 17.01 4.17 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.089 -1.007 . . . . 0.0 109.556 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.41 ' C ' ' CD1' ' A' ' 44' ' ' LEU . 38.4 m-85 -131.92 67.05 1.53 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.214 -0.929 . . . . 0.0 109.344 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.474 ' O ' ' HB2' ' A' ' 45' ' ' GLU . 5.8 mp -142.86 -122.91 0.09 Allowed 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.273 -0.892 . . . . 0.0 109.443 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.54 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 4.9 mt-10 68.49 6.79 5.61 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.874 -1.141 . . . . 0.0 109.308 -179.637 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.54 ' CG ' ' O ' ' A' ' 45' ' ' GLU . 13.8 mt-10 -164.8 29.67 0.06 Allowed 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.488 ' HA ' ' HA ' ' A' ' 84' ' ' CYS . 62.3 mt -42.06 125.19 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.456 -0.778 . . . . 0.0 110.007 -179.51 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -117.47 -46.4 2.68 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.416 -0.802 . . . . 0.0 109.266 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.481 ' HB3' ' HB ' ' A' ' 52' ' ' VAL . 12.7 mm-40 -77.25 80.4 3.76 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.143 -0.973 . . . . 0.0 108.998 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.495 ' O ' ' HB2' ' A' ' 54' ' ' ASP . 29.1 tt0 -64.28 -28.19 69.55 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.386 -0.821 . . . . 0.0 109.843 -179.656 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.74 -34.41 52.57 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.067 -1.021 . . . . 0.0 110.297 -179.25 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.523 ' CG1' ' HB3' ' A' ' 79' ' ' MET . 90.6 t -71.69 -46.08 63.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.099 -1.0 . . . . 0.0 110.053 -179.475 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.467 ' O ' ' CB ' ' A' ' 57' ' ' MET . 97.0 t -77.53 -30.21 16.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.475 0 O-C-N 121.12 -0.988 . . . . 0.0 109.705 -179.698 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.527 ' O ' ' HB2' ' A' ' 58' ' ' GLU . 2.0 m-20 -80.94 -18.12 48.16 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.093 -1.005 . . . . 0.0 109.018 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -79.7 -44.59 20.54 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.025 -1.047 . . . . 0.0 109.388 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.609 ' CG1' ' CD2' ' A' ' 76' ' ' PHE . 3.2 m -80.25 -33.44 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 O-C-N 121.017 -1.052 . . . . 0.0 108.709 179.311 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.467 ' CB ' ' O ' ' A' ' 53' ' ' VAL . 0.1 OUTLIER -75.16 -22.27 58.2 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.724 -0.61 . . . . 0.0 109.545 179.832 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.527 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 4.4 mt-10 -80.03 -45.37 18.47 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.933 -1.104 . . . . 0.0 109.429 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 93.4 m -68.05 -27.54 66.6 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 179.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.431 HD21 ' HG2' ' A' ' 29' ' ' LYS . 12.7 mt -70.55 -61.99 1.56 Allowed 'General case' 0 C--N 1.304 -1.412 0 CA-C-O 121.504 0.668 . . . . 0.0 109.484 179.585 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.98 -7.57 54.01 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.815 -0.553 . . . . 0.0 110.307 -179.42 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' A' ' 58' ' ' GLU . 0.2 OUTLIER -72.91 -58.77 3.09 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.068 -1.02 . . . . 0.0 108.788 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.477 ' HB2' ' O ' ' A' ' 62' ' ' GLU . 27.6 t70 175.61 64.99 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.498 0 C-N-CA 119.926 -0.71 . . . . 0.0 109.474 179.653 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.595 ' O ' ' N ' ' A' ' 66' ' ' GLY . . . -91.18 19.97 43.21 Favored Glycine 0 N--CA 1.488 2.121 0 N-CA-C 108.853 -1.699 . . . . 0.0 108.853 179.446 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.512 ' N ' ' HE2' ' A' ' 29' ' ' LYS . 12.0 t70 -34.91 -25.18 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.919 -0.754 . . . . 0.0 111.174 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.595 ' N ' ' O ' ' A' ' 64' ' ' GLY . . . -86.43 171.16 43.46 Favored Glycine 0 N--CA 1.484 1.877 0 N-CA-C 109.351 -1.5 . . . . 0.0 109.351 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.516 ' HA ' ' HA ' ' A' ' 28' ' ' LYS . 14.6 mt-10 -76.06 157.84 32.51 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.543 -0.975 . . . . 0.0 110.745 -178.604 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.446 ' SG ' ' OE2' ' A' ' 72' ' ' GLU . 39.9 m -111.26 168.49 9.48 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 179.651 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -99.83 175.88 5.63 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.896 -1.127 . . . . 0.0 109.369 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.582 ' CZ ' HG12 ' A' ' 11' ' ' ILE . 11.0 t80 -75.3 -28.42 59.72 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.215 -0.928 . . . . 0.0 109.569 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.1 -30.99 55.6 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.324 -0.86 . . . . 0.0 110.207 -179.543 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.529 ' HG3' ' N ' ' A' ' 73' ' ' PHE . 1.4 pt-20 -76.93 -44.71 30.51 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 120.851 -1.156 . . . . 0.0 108.589 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.529 ' N ' ' HG3' ' A' ' 72' ' ' GLU . 0.1 OUTLIER -68.87 -21.46 64.26 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 178.836 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.537 ' CE ' ' CD2' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -76.03 -53.71 7.94 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.569 -0.707 . . . . 0.0 109.28 -179.895 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.5 ' O ' ' HG3' ' A' ' 79' ' ' MET . . . -71.56 -19.02 62.21 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.366 -0.834 . . . . 0.0 108.983 179.749 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.609 ' CD2' ' CG1' ' A' ' 56' ' ' VAL . 2.9 m-85 -80.42 -33.4 36.99 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.348 -0.845 . . . . 0.0 109.983 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.473 ' O ' ' OG1' ' A' ' 81' ' ' THR . 77.0 t -76.71 -28.93 17.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 120.955 -1.091 . . . . 0.0 109.773 -179.537 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 56.7 m -79.03 -34.51 43.84 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.138 -0.976 . . . . 0.0 110.009 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.523 ' HB3' ' CG1' ' A' ' 52' ' ' VAL . 2.4 mmm -64.17 -45.66 87.44 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.154 -0.966 . . . . 0.0 109.95 -179.645 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.532 ' CG2' HG22 ' A' ' 36' ' ' ILE . 16.3 m -72.19 -42.24 66.69 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 O-C-N 121.179 -0.951 . . . . 0.0 110.57 -179.142 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.489 ' CG2' ' CG ' ' B' ' 7' ' ' MET . 5.8 m -62.32 -12.48 21.15 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.954 -1.091 . . . . 0.0 109.985 -179.481 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 69.9 p -114.4 -8.52 12.83 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.075 -1.016 . . . . 0.0 109.493 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.47 ' CB ' ' HB2' ' A' ' 49' ' ' GLU . . . -100.56 60.44 0.99 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.31 -0.869 . . . . 0.0 109.601 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.488 ' HA ' ' HA ' ' A' ' 47' ' ' ILE . 1.8 p -160.09 27.65 0.17 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.11 -0.993 . . . . 0.0 109.76 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 48.36 40.11 13.89 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.288 -0.882 . . . . 0.0 109.601 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -110.89 46.61 1.05 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.26 -0.9 . . . . 0.0 109.218 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.564 ' CZ ' ' HB3' ' B' ' 70' ' ' PHE . 0.2 OUTLIER -69.38 100.42 1.36 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.403 -0.81 . . . . 0.0 109.696 -179.899 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.625 ' CD1' ' CG2' ' B' ' 11' ' ' ILE . 39.2 m-85 46.89 95.74 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.214 -0.929 . . . . 0.0 109.548 179.677 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.469 ' HG3' ' O ' ' A' ' 89' ' ' GLU . 2.7 tp10 -91.43 -1.74 57.48 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.301 -0.874 . . . . 0.0 109.811 -179.59 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 11.9 p80 -44.76 -26.3 0.38 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.161 -0.962 . . . . 0.0 109.91 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 22.9 tp10 . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 118.0 -1.0 . . . . 0.0 109.5 -179.92 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 3.5 ttt . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.438 ' CB ' ' CD ' ' A' ' 39' ' ' GLU . 1.4 t -121.78 168.81 11.4 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.25 -0.906 . . . . 0.0 109.537 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.427 ' HB3' HG21 ' A' ' 13' ' ' VAL . 2.4 tp10 -80.2 -37.11 33.86 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.264 -0.897 . . . . 0.0 109.548 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.507 HD23 ' CD1' ' A' ' 35' ' ' LEU . 16.7 tp -77.97 -51.2 10.75 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.416 -0.802 . . . . 0.0 109.653 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.549 ' CG ' HG22 ' B' ' 8' ' ' VAL . 25.4 tt0 -53.1 -51.08 63.01 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.403 -0.811 . . . . 0.0 110.125 -179.487 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.532 ' O ' ' CB ' ' B' ' 9' ' ' ALA . 0.0 OUTLIER -57.58 -34.96 69.76 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.124 -0.985 . . . . 0.0 110.561 -178.865 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . 0.533 ' HB3' ' N ' ' A' ' 10' ' ' LEU . . . -80.69 -71.04 0.48 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.103 -0.998 . . . . 0.0 110.463 -179.228 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' MET . . . . . 0.489 ' CG ' ' CG2' ' A' ' 81' ' ' THR . 31.9 tpp -49.76 -53.79 22.93 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.312 -0.867 . . . . 0.0 109.608 -179.399 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . 0.549 HG22 ' CG ' ' B' ' 4' ' ' GLU . 4.5 t -61.94 -28.12 43.69 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.51 0 O-C-N 121.485 -0.76 . . . . 0.0 109.82 -179.372 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . 0.532 ' CB ' ' O ' ' B' ' 5' ' ' LYS . . . -66.24 -43.58 86.18 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.034 -1.041 . . . . 0.0 109.12 179.579 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.546 ' CD2' ' CE ' ' B' ' 74' ' ' MET . 0.2 OUTLIER -51.6 -43.88 62.65 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.229 -0.919 . . . . 0.0 108.687 179.759 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.625 ' CG2' ' CD1' ' A' ' 88' ' ' PHE . 96.7 mt -53.13 -42.05 44.39 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.317 -0.864 . . . . 0.0 108.754 179.246 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' B' ' 13' ' ' VAL . 11.9 t70 -54.49 -55.58 27.58 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.432 -0.793 . . . . 0.0 109.483 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . 0.451 HG12 HD13 ' B' ' 35' ' ' LEU . 28.1 t -43.29 -32.46 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 121.559 -0.713 . . . . 0.0 109.469 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.42 ' HB3' ' CE1' ' A' ' 88' ' ' PHE . 1.1 t80 -63.71 -69.35 0.28 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.354 -0.841 . . . . 0.0 109.922 -179.558 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 4.1 t-160 -45.91 -24.42 0.4 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.144 -0.973 . . . . 0.0 109.914 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.53 -52.34 12.15 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.138 -0.976 . . . . 0.0 109.751 -179.74 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.537 ' CD2' ' CD2' ' B' ' 35' ' ' LEU . 26.9 m-85 -91.2 19.88 5.52 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.233 -0.917 . . . . 0.0 109.811 -179.678 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 5.3 t -104.25 -31.22 9.69 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.132 -0.98 . . . . 0.0 109.383 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.03 -32.31 56.71 Favored Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.516 -1.434 . . . . 0.0 109.516 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 7.5 mtt85 -56.1 -69.36 0.15 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.313 -1.11 . . . . 0.0 109.477 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.446 ' O ' ' O ' ' B' ' 22' ' ' GLY . 2.4 mt-10 -122.62 -164.54 1.19 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.395 -0.816 . . . . 0.0 109.489 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . 0.446 ' O ' ' O ' ' B' ' 21' ' ' GLU . . . 50.69 178.6 0.03 OUTLIER Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -69.18 -158.22 0.02 OUTLIER 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.274 -1.133 . . . . 0.0 109.485 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 4.6 mmtt -94.31 5.5 51.57 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.227 -0.921 . . . . 0.0 109.577 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . 0.429 ' C ' ' HG2' ' B' ' 26' ' ' LYS . 47.1 m80 -152.05 28.02 0.6 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.233 -0.917 . . . . 0.0 109.45 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.429 ' HG2' ' C ' ' B' ' 25' ' ' HIS . 1.9 mmmm -142.78 138.19 30.25 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.244 -0.91 . . . . 0.0 109.148 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.515 ' CD1' ' HB3' ' B' ' 31' ' ' GLU . 0.3 OUTLIER -94.55 -157.16 0.54 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.283 -0.885 . . . . 0.0 109.487 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.522 ' HA ' ' HA ' ' B' ' 67' ' ' GLU . 0.0 OUTLIER -150.3 167.69 26.24 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 179.545 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.553 ' CB ' ' HA3' ' B' ' 64' ' ' GLY . 0.0 OUTLIER -76.17 -31.59 58.6 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.963 -1.086 . . . . 0.0 108.426 179.399 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.531 ' N ' ' HD2' ' B' ' 29' ' ' LYS . 0.3 OUTLIER -79.03 -27.77 43.23 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.39 -0.819 . . . . 0.0 109.573 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.515 ' HB3' ' CD1' ' B' ' 27' ' ' LEU . 0.8 OUTLIER -89.78 -22.09 22.32 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 179.396 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.491 ' O ' HG13 ' B' ' 36' ' ' ILE . 2.6 tp -81.73 -37.68 26.93 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 178.736 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.433 ' HB2' ' O ' ' B' ' 29' ' ' LYS . 8.4 tttt -65.37 -32.84 74.69 Favored 'General case' 0 N--CA 1.486 1.353 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 179.395 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.553 ' O ' ' CB ' ' B' ' 38' ' ' ASN . 7.5 pt-20 -80.6 -39.02 28.29 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 179.299 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.537 ' CD2' ' CD2' ' B' ' 17' ' ' TYR . 0.1 OUTLIER -49.81 -51.7 37.7 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.457 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.539 ' O ' ' HB2' ' B' ' 40' ' ' LEU . 0.1 OUTLIER -79.99 -52.49 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 CA-C-O 121.888 0.851 . . . . 0.0 109.578 -179.906 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -65.51 -1.35 2.51 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.246 -0.909 . . . . 0.0 111.431 -179.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.553 ' CB ' ' O ' ' B' ' 34' ' ' GLU . 18.2 t30 -99.96 -43.9 6.22 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.68 -1.263 . . . . 0.0 109.372 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.52 ' CG ' ' HB2' ' A' ' 4' ' ' GLU . 43.0 tp10 -117.26 -36.63 3.71 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.37 -0.831 . . . . 0.0 109.343 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.58 ' CD2' ' N ' ' B' ' 40' ' ' LEU . 0.2 OUTLIER -74.22 -19.64 60.45 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.366 -0.834 . . . . 0.0 109.788 -179.672 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.429 ' HA ' HD12 ' B' ' 44' ' ' LEU . 0.2 OUTLIER -70.44 -9.5 56.62 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.255 -0.903 . . . . 0.0 109.921 -179.566 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -86.55 16.82 4.27 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.052 -1.03 . . . . 0.0 109.532 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . 0.421 ' C ' ' CD1' ' B' ' 44' ' ' LEU . 38.5 m-85 -131.86 67.19 1.53 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.314 -0.866 . . . . 0.0 109.339 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.473 ' O ' ' HB2' ' B' ' 45' ' ' GLU . 5.8 mp -142.89 -122.99 0.09 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.347 -0.846 . . . . 0.0 109.458 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.538 ' O ' ' CG ' ' B' ' 46' ' ' GLU . 4.9 mt-10 68.51 6.73 5.58 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.783 -1.198 . . . . 0.0 109.322 -179.604 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.538 ' CG ' ' O ' ' B' ' 45' ' ' GLU . 13.7 mt-10 -164.68 29.56 0.07 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.38 -0.825 . . . . 0.0 108.801 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.484 ' HA ' ' HA ' ' B' ' 84' ' ' CYS . 61.9 mt -41.88 125.12 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.475 -0.765 . . . . 0.0 110.01 -179.566 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -117.47 -46.29 2.68 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.362 -0.836 . . . . 0.0 109.317 179.69 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.48 ' HB2' ' CB ' ' B' ' 83' ' ' ALA . 12.6 mm-40 -77.29 80.38 3.79 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.159 -0.963 . . . . 0.0 109.004 179.6 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . 0.504 ' O ' ' HB2' ' B' ' 54' ' ' ASP . 29.0 tt0 -64.38 -28.0 69.39 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.368 -0.833 . . . . 0.0 109.87 -179.616 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.74 -34.36 52.58 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.12 -0.988 . . . . 0.0 110.314 -179.361 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.52 ' CG1' ' HB3' ' B' ' 79' ' ' MET . 91.0 t -71.8 -46.0 63.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.078 -1.014 . . . . 0.0 110.023 -179.446 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.474 ' O ' ' CB ' ' B' ' 57' ' ' MET . 96.4 t -77.66 -30.16 16.64 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.065 -1.022 . . . . 0.0 109.645 -179.638 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . 0.528 ' O ' ' HB2' ' B' ' 58' ' ' GLU . 2.0 m-20 -80.94 -18.07 48.35 Favored 'General case' 0 C--N 1.303 -1.446 0 C-N-CA 119.232 -0.987 . . . . 0.0 108.988 179.599 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -79.76 -44.6 20.39 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.065 -1.022 . . . . 0.0 109.337 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.619 ' CG1' ' CD2' ' B' ' 76' ' ' PHE . 3.2 m -80.28 -33.38 14.08 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.357 0 O-C-N 120.979 -1.076 . . . . 0.0 108.69 179.378 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.474 ' CB ' ' O ' ' B' ' 53' ' ' VAL . 0.1 OUTLIER -75.18 -22.21 58.18 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.81 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . 0.528 ' HB2' ' O ' ' B' ' 54' ' ' ASP . 4.4 mt-10 -80.06 -45.44 18.29 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.942 -1.098 . . . . 0.0 109.317 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 92.8 m -68.17 -27.37 66.35 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 179.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.419 HD21 ' HG2' ' B' ' 29' ' ' LYS . 12.6 mt -70.64 -61.96 1.57 Allowed 'General case' 0 C--N 1.302 -1.497 0 CA-C-O 121.492 0.663 . . . . 0.0 109.458 179.544 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.1 -7.47 53.83 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.869 -0.519 . . . . 0.0 110.253 -179.395 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.511 ' CB ' ' O ' ' B' ' 58' ' ' GLU . 0.2 OUTLIER -72.94 -58.78 3.08 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.004 -1.06 . . . . 0.0 108.681 179.931 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.477 ' HB2' ' O ' ' B' ' 62' ' ' GLU . 27.7 t70 175.62 65.01 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.519 0 C-N-CA 119.976 -0.69 . . . . 0.0 109.494 179.682 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . 0.584 ' O ' ' N ' ' B' ' 66' ' ' GLY . . . -91.13 20.0 42.88 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 108.903 -1.679 . . . . 0.0 108.903 179.372 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.505 ' N ' ' HE2' ' B' ' 29' ' ' LYS . 12.0 t70 -34.97 -25.09 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.95 -0.735 . . . . 0.0 111.258 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.584 ' N ' ' O ' ' B' ' 64' ' ' GLY . . . -86.47 171.2 43.42 Favored Glycine 0 N--CA 1.483 1.83 0 N-CA-C 109.403 -1.479 . . . . 0.0 109.403 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.522 ' HA ' ' HA ' ' B' ' 28' ' ' LYS . 14.7 mt-10 -76.03 157.75 32.65 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.598 -0.943 . . . . 0.0 110.733 -178.601 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.454 ' HB3' ' CD ' ' B' ' 72' ' ' GLU . 39.6 m -111.23 168.54 9.43 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.698 -0.852 . . . . 0.0 108.698 179.594 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -99.74 175.87 5.65 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.819 -1.176 . . . . 0.0 109.349 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.58 ' CZ ' HG12 ' B' ' 11' ' ' ILE . 11.0 t80 -75.26 -28.36 59.78 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.313 -0.867 . . . . 0.0 109.597 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.14 -31.04 55.35 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.228 -0.92 . . . . 0.0 110.21 -179.557 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.543 ' HG3' ' N ' ' B' ' 73' ' ' PHE . 1.4 pt-20 -77.04 -44.59 30.22 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 120.935 -1.103 . . . . 0.0 108.452 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.543 ' N ' ' HG3' ' B' ' 72' ' ' GLU . 0.1 OUTLIER -69.05 -21.39 64.1 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 178.914 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' MET . . . . . 0.546 ' CE ' ' CD2' ' B' ' 10' ' ' LEU . 0.1 OUTLIER -76.01 -53.65 8.04 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.627 -0.671 . . . . 0.0 109.374 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.498 ' O ' ' CG ' ' B' ' 79' ' ' MET . . . -71.66 -18.94 62.15 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.286 -0.884 . . . . 0.0 108.976 179.721 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.619 ' CD2' ' CG1' ' B' ' 56' ' ' VAL . 2.9 m-85 -80.46 -33.37 36.77 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.435 -0.791 . . . . 0.0 110.026 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.477 ' O ' ' HE1' ' A' ' 7' ' ' MET . 77.5 t -76.61 -29.19 18.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.1 -1.0 . . . . 0.0 109.765 -179.594 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 55.1 m -78.87 -34.48 44.89 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.191 -0.943 . . . . 0.0 110.091 -179.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' MET . . . . . 0.52 ' HB3' ' CG1' ' B' ' 52' ' ' VAL . 2.4 mmm -64.17 -45.59 87.73 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 121.032 -1.043 . . . . 0.0 110.01 -179.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . 0.535 ' CG2' HG22 ' B' ' 36' ' ' ILE . 16.2 m -72.37 -42.16 65.13 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 O-C-N 121.268 -0.895 . . . . 0.0 110.572 -179.199 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.514 ' CG2' ' CG ' ' A' ' 7' ' ' MET . 5.8 m -62.26 -12.48 20.77 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.934 -1.104 . . . . 0.0 109.962 -179.544 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 69.0 p -114.41 -8.48 12.83 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.074 -1.016 . . . . 0.0 109.55 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . 0.48 ' CB ' ' HB2' ' B' ' 49' ' ' GLU . . . -100.71 60.58 0.98 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.312 -0.867 . . . . 0.0 109.537 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . 0.484 ' HA ' ' HA ' ' B' ' 47' ' ' ILE . 1.8 p -160.12 27.51 0.17 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.16 -0.963 . . . . 0.0 109.861 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 48.48 40.05 14.23 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.229 -0.919 . . . . 0.0 109.564 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -110.82 46.54 1.05 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.196 -0.94 . . . . 0.0 109.209 179.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . 0.552 ' CZ ' ' HB3' ' A' ' 70' ' ' PHE . 0.2 OUTLIER -69.39 100.4 1.36 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.293 -0.879 . . . . 0.0 109.725 -179.904 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.64 ' CD1' ' CG2' ' A' ' 11' ' ' ILE . 39.4 m-85 46.89 95.66 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.345 -0.847 . . . . 0.0 109.558 179.721 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.472 ' HG3' ' O ' ' B' ' 89' ' ' GLU . 2.7 tp10 -91.33 -1.86 57.52 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.29 -0.881 . . . . 0.0 109.86 -179.624 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . 0.405 ' C ' ' O ' ' B' ' 89' ' ' GLU . 11.9 p80 -44.7 -26.25 0.37 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.087 -1.008 . . . . 0.0 109.916 -179.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 . . . . . 0 N--CA 1.492 1.659 0 CA-C-O 118.004 -0.998 . . . . 0.0 109.445 -179.887 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' MET . . . . . 0.502 ' N ' ' SD ' ' A' ' 0' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.2 t -136.48 162.78 32.12 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.19 -0.944 . . . . 0.0 109.645 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.472 ' HB3' HG21 ' B' ' 13' ' ' VAL . 0.0 OUTLIER -73.42 -57.01 4.31 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.29 -0.881 . . . . 0.0 109.444 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.463 ' CB ' ' HB3' ' B' ' 39' ' ' GLU . 9.0 tp -61.8 -38.08 86.76 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.305 -0.872 . . . . 0.0 109.726 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.542 ' HA ' ' CD2' ' B' ' 40' ' ' LEU . 1.2 tt0 -62.46 -53.61 52.36 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.12 -0.988 . . . . 0.0 110.198 -179.333 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.471 ' O ' ' HB1' ' A' ' 9' ' ' ALA . 5.9 mttm -62.01 -36.61 82.05 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.855 -1.153 . . . . 0.0 110.7 -179.113 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.476 ' HB3' ' HB3' ' B' ' 9' ' ' ALA . . . -80.32 -70.43 0.52 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.064 -1.022 . . . . 0.0 110.453 -179.181 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.475 ' HE1' ' OG1' ' B' ' 81' ' ' THR . 0.2 OUTLIER -45.99 -53.81 9.42 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.381 -0.824 . . . . 0.0 109.874 -179.389 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.525 ' CG2' ' O ' ' A' ' 4' ' ' GLU . 33.0 t -56.9 -36.71 51.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 C-N-CA 119.527 -0.869 . . . . 0.0 109.088 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.479 ' HB3' ' HB3' ' B' ' 6' ' ' ALA . . . -52.05 -43.06 63.61 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 179.092 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.455 HD11 ' HA ' ' B' ' 7' ' ' MET . 0.2 OUTLIER -51.82 -51.84 53.59 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 179.122 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.576 ' CG2' ' CD2' ' B' ' 88' ' ' PHE . 1.6 mp -49.59 -39.94 14.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 179.137 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -50.57 -51.13 51.03 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.353 -0.842 . . . . 0.0 109.239 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.473 HG21 ' HB3' ' B' ' 2' ' ' GLU . 43.9 t -55.0 -35.08 33.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.531 -0.73 . . . . 0.0 109.447 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.516 ' CD1' ' CE1' ' A' ' 73' ' ' PHE . 19.2 t80 -63.42 -37.74 88.46 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.218 -0.926 . . . . 0.0 109.649 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.437 ' O ' ' HA3' ' A' ' 19' ' ' GLY . 20.6 t-80 -75.6 -12.42 60.21 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.149 -0.969 . . . . 0.0 109.583 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.48 ' O ' ' HG3' ' A' ' 20' ' ' ARG . 7.3 tp-100 -86.96 -53.46 4.87 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.274 -0.891 . . . . 0.0 109.411 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.583 ' CE1' HD23 ' A' ' 35' ' ' LEU . 78.9 m-85 -76.27 -25.45 54.93 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.218 -0.927 . . . . 0.0 109.907 -179.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.65 -9.59 20.78 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.087 -1.008 . . . . 0.0 109.495 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.461 ' O ' ' O ' ' A' ' 20' ' ' ARG . . . -87.63 -26.74 28.99 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.967 -1.253 . . . . 0.0 109.967 -179.786 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.48 ' HG3' ' O ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -61.18 -144.02 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.014 -1.286 . . . . 0.0 109.3 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.471 ' O ' ' O ' ' A' ' 20' ' ' ARG . 4.0 pm0 -59.59 -116.26 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.015 -1.053 . . . . 0.0 109.248 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.462 ' C ' ' O ' ' A' ' 21' ' ' GLU . . . 40.86 -100.31 0.01 OUTLIER Glycine 0 N--CA 1.494 2.502 0 N-CA-C 109.324 -1.51 . . . . 0.0 109.324 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.573 ' O ' ' CB ' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -175.62 -78.29 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.469 -1.019 . . . . 0.0 109.184 179.49 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.573 ' CB ' ' O ' ' A' ' 23' ' ' ASP . 0.7 OUTLIER 154.49 161.75 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.589 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.473 ' CD2' ' O ' ' A' ' 25' ' ' HIS . 6.9 t60 65.25 9.86 5.97 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.181 -0.949 . . . . 0.0 109.588 179.738 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.506 ' O ' ' CD2' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -145.29 160.69 41.12 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.062 -1.024 . . . . 0.0 109.98 -179.904 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.506 ' CD2' ' O ' ' A' ' 26' ' ' LYS . 0.6 OUTLIER -140.94 -161.11 1.16 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.414 -0.804 . . . . 0.0 109.058 179.922 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.24 163.37 37.84 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.189 -0.944 . . . . 0.0 109.623 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.45 ' HD3' ' SG ' ' A' ' 68' ' ' CYS . 19.4 mmtp -73.92 -27.01 60.82 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.379 -0.826 . . . . 0.0 109.429 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.59 -43.38 20.68 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.303 -0.873 . . . . 0.0 109.459 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.508 ' O ' ' HB2' ' A' ' 35' ' ' LEU . 2.5 tt0 -73.72 -25.07 60.02 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.236 -0.915 . . . . 0.0 108.592 179.586 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.458 ' O ' HG13 ' A' ' 36' ' ' ILE . 34.1 tp -77.65 -47.6 18.86 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 179.431 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.432 ' N ' HD23 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -57.97 -43.08 86.29 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 179.16 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.576 ' HG3' ' N ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -71.57 -31.69 67.25 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 179.599 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.583 HD23 ' CE1' ' A' ' 17' ' ' TYR . 0.1 OUTLIER -58.31 -37.12 74.44 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.586 -0.696 . . . . 0.0 109.282 179.447 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.549 ' CG2' HG22 ' A' ' 80' ' ' VAL . 0.8 OUTLIER -80.32 -57.1 5.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.354 -0.841 . . . . 0.0 110.489 -179.369 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.536 ' O ' ' CB ' ' A' ' 41' ' ' SER . 35.5 t-20 -66.22 -63.03 1.17 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.245 -0.91 . . . . 0.0 110.548 -178.681 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.537 ' CB ' ' OE1' ' A' ' 34' ' ' GLU . 1.4 t-20 -49.48 -55.73 12.24 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.931 -1.106 . . . . 0.0 110.791 -178.581 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.48 ' HG3' HD11 ' A' ' 35' ' ' LEU . 6.4 mm-40 -70.64 -75.27 0.12 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.058 -1.026 . . . . 0.0 111.232 -178.54 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.535 ' CD2' ' HA ' ' B' ' 4' ' ' GLU . 10.3 mt -61.41 -98.23 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.313 0 O-C-N 120.944 -1.097 . . . . 0.0 110.288 -178.762 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.536 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 15.3 t 40.81 41.0 1.08 Allowed 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.142 -0.973 . . . . 0.0 109.79 -179.598 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -113.16 -21.68 10.89 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.157 -0.964 . . . . 0.0 109.658 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -129.31 30.82 4.93 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.212 -0.93 . . . . 0.0 109.452 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.495 HD12 ' N ' ' A' ' 45' ' ' GLU . 0.7 OUTLIER -105.47 116.31 31.72 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.242 -0.912 . . . . 0.0 109.545 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.495 ' N ' HD12 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -143.5 -59.1 0.41 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.239 -0.913 . . . . 0.0 109.729 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.466 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 26.1 mt-10 -109.61 -23.1 11.64 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.256 -0.903 . . . . 0.0 109.539 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.466 ' HB ' ' O ' ' A' ' 46' ' ' GLU . 72.3 mt 62.85 136.96 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.256 -0.903 . . . . 0.0 109.582 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.474 ' HB2' ' HA ' ' A' ' 85' ' ' HIS . 13.3 tttm -109.71 -66.56 1.05 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.318 -0.863 . . . . 0.0 109.049 179.541 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.495 ' CG ' HG22 ' A' ' 52' ' ' VAL . 11.0 mm-40 -67.56 86.19 0.19 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.34 -0.85 . . . . 0.0 109.044 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.535 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 14.9 tt0 -63.22 -25.24 68.24 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.237 -0.914 . . . . 0.0 109.487 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.462 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -80.47 -33.37 36.71 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.278 -0.889 . . . . 0.0 109.919 -179.849 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.495 HG22 ' CG ' ' A' ' 49' ' ' GLU . 60.8 t -72.53 -47.37 51.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.249 -0.907 . . . . 0.0 109.807 -179.715 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.427 ' O ' ' CB ' ' A' ' 57' ' ' MET . 59.8 t -75.6 -26.26 18.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.162 -0.962 . . . . 0.0 109.236 -179.747 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.535 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 33.0 t70 -80.92 -24.97 37.84 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.403 -0.811 . . . . 0.0 109.371 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.556 ' HG3' ' N ' ' A' ' 56' ' ' VAL . 0.1 OUTLIER -77.55 -39.83 44.57 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 120.875 -1.14 . . . . 0.0 109.254 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.577 HG13 ' CE2' ' A' ' 76' ' ' PHE . 2.9 m -81.04 -34.63 13.8 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 O-C-N 121.205 -0.935 . . . . 0.0 108.721 179.428 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.427 ' CB ' ' O ' ' A' ' 53' ' ' VAL . 2.3 ttm -75.3 -25.96 58.32 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 179.55 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.486 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 72.2 mt-10 -80.08 -50.09 10.84 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.207 -0.933 . . . . 0.0 108.545 179.079 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.0 m -63.71 -29.55 70.76 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 178.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.444 ' HB2' ' O ' ' A' ' 56' ' ' VAL . 9.8 mt -67.42 -56.29 10.24 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 179.439 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.49 -0.51 37.73 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.448 -0.783 . . . . 0.0 109.748 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.465 ' HB2' ' O ' ' A' ' 58' ' ' GLU . 74.4 tt0 -79.97 -37.4 34.45 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.163 -0.961 . . . . 0.0 109.674 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.441 ' HB3' ' HG3' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -106.42 -67.77 0.92 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.344 -0.848 . . . . 0.0 109.469 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.414 ' CA ' ' HB2' ' A' ' 29' ' ' LYS . . . 85.7 -54.74 4.82 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.679 -1.368 . . . . 0.0 109.679 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -100.26 23.21 10.38 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.164 -1.198 . . . . 0.0 109.625 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -95.69 161.7 23.0 Favored Glycine 0 N--CA 1.488 2.133 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -104.1 148.22 26.52 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.23 -1.159 . . . . 0.0 109.439 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.45 ' SG ' ' HD3' ' A' ' 29' ' ' LYS . 3.4 m -117.53 173.42 6.73 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.232 -0.918 . . . . 0.0 109.574 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -108.4 -177.91 3.45 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.261 -0.899 . . . . 0.0 109.129 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.586 ' CE2' ' HG3' ' A' ' 71' ' ' GLN . 36.5 p90 -79.96 -33.06 39.85 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.004 -1.06 . . . . 0.0 109.368 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.586 ' HG3' ' CE2' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -79.02 -23.85 44.07 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.073 -1.017 . . . . 0.0 108.603 179.073 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -77.1 -54.9 5.95 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.449 -0.782 . . . . 0.0 108.898 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.516 ' CE1' ' CD1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -62.72 -25.9 68.41 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.211 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.441 ' HB2' ' O ' ' A' ' 70' ' ' PHE . 6.2 mmm -71.42 -52.01 20.84 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.579 -0.7 . . . . 0.0 109.44 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.469 ' O ' ' HG3' ' A' ' 79' ' ' MET . . . -68.39 -20.82 64.71 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.188 -0.945 . . . . 0.0 109.072 179.74 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.577 ' CE2' HG13 ' A' ' 56' ' ' VAL . 0.7 OUTLIER -74.92 -35.31 62.21 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.51 -0.744 . . . . 0.0 109.316 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.476 HG13 ' CE ' ' B' ' 7' ' ' MET . 87.6 t -73.1 -26.06 22.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.383 -0.823 . . . . 0.0 109.805 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.408 ' O ' ' OG1' ' A' ' 82' ' ' THR . 50.6 m -78.67 -41.47 31.13 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.183 -0.948 . . . . 0.0 110.572 -179.192 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.488 ' HB3' ' CG1' ' A' ' 52' ' ' VAL . 0.0 OUTLIER -61.73 -42.25 98.71 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.088 -1.007 . . . . 0.0 110.247 -179.318 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.549 HG22 ' CG2' ' A' ' 36' ' ' ILE . 3.2 m -79.92 -38.52 18.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.093 -1.004 . . . . 0.0 110.932 -179.093 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.472 ' OG1' ' HE1' ' B' ' 7' ' ' MET . 45.3 m -66.88 -6.83 17.98 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.858 -1.151 . . . . 0.0 109.892 -179.555 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.442 ' HB ' ' HG2' ' B' ' 71' ' ' GLN . 2.4 p -111.1 -26.73 9.07 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.045 -1.035 . . . . 0.0 109.727 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.442 ' O ' ' O ' ' A' ' 84' ' ' CYS . . . -54.17 -91.41 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.273 -0.892 . . . . 0.0 109.518 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.461 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 3.8 m 44.81 -168.97 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.216 -0.927 . . . . 0.0 109.7 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.474 ' HA ' ' HB2' ' A' ' 48' ' ' LYS . 1.0 OUTLIER -129.3 -45.49 1.23 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.176 -0.953 . . . . 0.0 109.454 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.453 ' O ' ' CB ' ' A' ' 87' ' ' PHE . 55.2 mt-10 -90.3 34.47 0.87 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.307 -0.871 . . . . 0.0 109.187 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.511 ' CE1' ' CZ ' ' A' ' 88' ' ' PHE . 0.4 OUTLIER 72.69 -146.68 0.05 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.232 -0.917 . . . . 0.0 109.18 -179.834 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.576 ' CG ' HG22 ' B' ' 11' ' ' ILE . 18.0 m-85 -65.92 -77.92 0.06 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.257 -0.902 . . . . 0.0 109.614 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -108.58 -72.42 0.72 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.187 -0.946 . . . . 0.0 109.419 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.479 ' CG ' ' N ' ' A' ' 91' ' ' GLU . 42.2 p-80 -152.87 -39.48 0.1 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.227 -0.921 . . . . 0.0 109.431 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.479 ' N ' ' CG ' ' A' ' 90' ' ' HIS . 2.9 tt0 . . . . . 0 N--CA 1.49 1.551 0 CA-C-O 118.024 -0.988 . . . . 0.0 109.465 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 0' ' ' MET . . . . . 0.506 ' N ' ' SD ' ' B' ' 0' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 1.2 t -136.42 162.75 32.19 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.079 -1.013 . . . . 0.0 109.726 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.473 ' HB3' HG21 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -73.45 -56.95 4.37 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.301 -0.874 . . . . 0.0 109.481 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.469 ' CB ' ' HB3' ' A' ' 39' ' ' GLU . 9.0 tp -61.76 -38.14 86.9 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.368 -0.832 . . . . 0.0 109.716 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.535 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 1.2 tt0 -62.37 -53.65 51.93 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.146 -0.971 . . . . 0.0 110.229 -179.287 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.471 ' O ' ' HB1' ' B' ' 9' ' ' ALA . 5.9 mttm -62.07 -36.58 82.09 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.904 -1.123 . . . . 0.0 110.645 -179.132 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . 0.479 ' HB3' ' HB3' ' A' ' 9' ' ' ALA . . . -80.26 -70.44 0.52 Allowed 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.984 -1.072 . . . . 0.0 110.43 -179.168 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' MET . . . . . 0.476 ' CE ' HG13 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -46.08 -53.77 9.69 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.373 -0.829 . . . . 0.0 109.875 -179.282 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . 0.519 ' CG2' ' O ' ' B' ' 4' ' ' GLU . 32.3 t -56.88 -36.59 50.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 C-N-CA 119.568 -0.853 . . . . 0.0 109.151 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . 0.476 ' HB3' ' HB3' ' A' ' 6' ' ' ALA . . . -52.22 -43.04 64.05 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 179.088 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.457 HD11 ' HA ' ' A' ' 7' ' ' MET . 0.2 OUTLIER -51.79 -51.75 54.1 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.069 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.576 HG22 ' CG ' ' A' ' 88' ' ' PHE . 1.6 mp -49.62 -40.05 14.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 179.124 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -50.56 -51.06 51.59 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.379 -0.825 . . . . 0.0 109.177 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . 0.472 HG21 ' HB3' ' A' ' 2' ' ' GLU . 44.0 t -55.03 -35.06 33.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.405 -0.809 . . . . 0.0 109.463 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.512 ' CD1' ' CE1' ' B' ' 73' ' ' PHE . 19.0 t80 -63.34 -37.86 88.89 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.17 -0.956 . . . . 0.0 109.68 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . 0.437 ' O ' ' HA3' ' B' ' 19' ' ' GLY . 20.5 t-80 -75.62 -12.38 60.2 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.128 -0.982 . . . . 0.0 109.54 -179.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.485 ' O ' ' HG3' ' B' ' 20' ' ' ARG . 7.2 tp-100 -86.98 -53.5 4.85 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.27 -0.894 . . . . 0.0 109.43 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.584 ' CE1' HD23 ' B' ' 35' ' ' LEU . 78.8 m-85 -76.36 -25.24 54.46 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.205 -0.934 . . . . 0.0 109.882 -179.746 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.79 -9.6 20.65 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.104 -0.997 . . . . 0.0 109.447 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . 0.449 ' O ' ' O ' ' B' ' 20' ' ' ARG . . . -87.53 -26.84 28.96 Favored Glycine 0 N--CA 1.489 2.216 0 N-CA-C 109.996 -1.241 . . . . 0.0 109.996 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' B' ' 16' ' ' GLN . 0.0 OUTLIER -61.19 -144.0 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.071 -1.252 . . . . 0.0 109.298 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.475 ' O ' ' O ' ' B' ' 20' ' ' ARG . 3.9 pm0 -59.64 -116.29 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.977 -1.077 . . . . 0.0 109.267 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . 0.467 ' C ' ' O ' ' B' ' 21' ' ' GLU . . . 40.94 -100.29 0.01 OUTLIER Glycine 0 N--CA 1.492 2.415 0 N-CA-C 109.278 -1.529 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.553 ' O ' ' CB ' ' B' ' 24' ' ' LYS . 0.2 OUTLIER -175.7 -78.13 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.417 -1.049 . . . . 0.0 109.198 179.442 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.553 ' CB ' ' O ' ' B' ' 23' ' ' ASP . 0.7 OUTLIER 154.42 161.66 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 179.619 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . 0.475 ' CD2' ' O ' ' B' ' 25' ' ' HIS . 6.9 t60 65.28 9.9 6.03 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.152 -0.967 . . . . 0.0 109.623 179.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.504 ' O ' ' CD2' ' B' ' 27' ' ' LEU . 0.0 OUTLIER -145.31 160.66 41.18 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.029 -1.044 . . . . 0.0 109.945 -179.879 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.504 ' CD2' ' O ' ' B' ' 26' ' ' LYS . 0.6 OUTLIER -140.96 -161.05 1.15 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.468 -0.77 . . . . 0.0 109.07 179.887 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.34 163.3 38.12 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.165 -0.96 . . . . 0.0 109.582 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.454 ' HD3' ' SG ' ' B' ' 68' ' ' CYS . 19.4 mmtp -73.72 -27.16 61.05 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.24 -0.912 . . . . 0.0 109.453 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.65 -43.26 20.72 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.308 -0.87 . . . . 0.0 109.489 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.512 ' O ' ' HB2' ' B' ' 35' ' ' LEU . 2.5 tt0 -73.8 -24.97 59.89 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.205 -0.934 . . . . 0.0 108.548 179.552 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.463 ' O ' HG13 ' B' ' 36' ' ' ILE . 33.9 tp -77.74 -47.57 18.74 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 179.472 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.431 ' N ' HD23 ' B' ' 60' ' ' LEU . 0.1 OUTLIER -58.05 -43.1 86.7 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 179.248 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.561 ' HG3' ' N ' ' B' ' 35' ' ' LEU . 0.1 OUTLIER -71.56 -31.72 67.31 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.672 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.584 HD23 ' CE1' ' B' ' 17' ' ' TYR . 0.1 OUTLIER -58.21 -37.12 74.2 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.552 -0.717 . . . . 0.0 109.333 179.377 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.539 ' CG2' HG22 ' B' ' 80' ' ' VAL . 0.8 OUTLIER -80.49 -56.99 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.33 -0.856 . . . . 0.0 110.455 -179.297 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.528 ' O ' ' CB ' ' B' ' 41' ' ' SER . 35.4 t-20 -66.24 -63.02 1.17 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.346 -0.846 . . . . 0.0 110.587 -178.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.526 ' CB ' ' OE1' ' B' ' 34' ' ' GLU . 1.4 t-20 -49.44 -55.74 12.1 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.958 -1.088 . . . . 0.0 110.854 -178.671 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.476 ' HG3' HD11 ' B' ' 35' ' ' LEU . 6.4 mm-40 -70.69 -75.26 0.12 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.003 -1.061 . . . . 0.0 111.16 -178.501 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.542 ' CD2' ' HA ' ' A' ' 4' ' ' GLU . 10.4 mt -61.45 -98.29 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.353 0 O-C-N 120.991 -1.068 . . . . 0.0 110.232 -178.683 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.528 ' CB ' ' O ' ' B' ' 37' ' ' ASN . 15.3 t 40.88 41.05 1.12 Allowed 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.229 -0.919 . . . . 0.0 109.708 -179.633 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -113.23 -21.72 10.84 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.089 -1.007 . . . . 0.0 109.55 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -129.26 30.93 4.93 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.244 -0.91 . . . . 0.0 109.416 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.515 HD12 ' N ' ' B' ' 45' ' ' GLU . 0.7 OUTLIER -105.54 116.44 31.95 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.216 -0.927 . . . . 0.0 109.537 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.515 ' N ' HD12 ' B' ' 44' ' ' LEU . 0.1 OUTLIER -143.59 -59.17 0.41 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.235 -0.916 . . . . 0.0 109.675 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.47 ' O ' ' HB ' ' B' ' 47' ' ' ILE . 25.9 mt-10 -109.58 -23.1 11.65 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.263 -0.898 . . . . 0.0 109.482 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.47 ' HB ' ' O ' ' B' ' 46' ' ' GLU . 71.8 mt 62.91 137.04 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.284 -0.885 . . . . 0.0 109.585 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.487 ' HB2' ' HA ' ' B' ' 85' ' ' HIS . 13.2 tttm -109.78 -66.66 1.05 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.288 -0.882 . . . . 0.0 109.007 179.571 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.496 ' CG ' HG22 ' B' ' 52' ' ' VAL . 11.1 mm-40 -67.48 86.18 0.18 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.281 -0.887 . . . . 0.0 109.092 179.567 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . 0.527 ' O ' ' CB ' ' B' ' 54' ' ' ASP . 14.9 tt0 -63.3 -25.23 68.22 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.221 -0.924 . . . . 0.0 109.414 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.467 ' O ' ' HG2' ' B' ' 55' ' ' LYS . 0.6 OUTLIER -80.49 -33.44 36.55 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.225 -0.922 . . . . 0.0 109.858 -179.827 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.496 HG22 ' CG ' ' B' ' 49' ' ' GLU . 60.8 t -72.5 -47.37 51.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.223 -0.923 . . . . 0.0 109.841 -179.672 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.434 ' O ' ' CB ' ' B' ' 57' ' ' MET . 59.0 t -75.44 -26.43 18.45 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.143 -0.973 . . . . 0.0 109.273 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . 0.527 ' CB ' ' O ' ' B' ' 50' ' ' GLN . 32.9 t70 -80.88 -24.85 38.02 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.342 -0.849 . . . . 0.0 109.44 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.549 ' HG3' ' N ' ' B' ' 56' ' ' VAL . 0.1 OUTLIER -77.6 -39.81 44.23 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.896 -1.127 . . . . 0.0 109.306 179.853 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.57 HG13 ' CE2' ' B' ' 76' ' ' PHE . 2.9 m -81.02 -34.67 13.84 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.321 0 O-C-N 121.034 -1.041 . . . . 0.0 108.702 179.422 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.434 ' CB ' ' O ' ' B' ' 53' ' ' VAL . 2.3 ttm -75.22 -26.05 58.64 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 179.484 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . 0.493 ' HB2' ' O ' ' B' ' 54' ' ' ASP . 72.4 mt-10 -80.06 -49.99 10.98 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.2 -0.938 . . . . 0.0 108.549 179.111 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 3.1 m -63.8 -29.65 70.83 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 178.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.432 ' HB2' ' O ' ' B' ' 56' ' ' VAL . 9.8 mt -67.29 -56.27 10.46 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 179.439 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.51 -0.47 37.65 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.564 -0.71 . . . . 0.0 109.825 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.468 ' HB2' ' O ' ' B' ' 58' ' ' GLU . 74.4 tt0 -80.0 -37.41 34.27 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.146 -0.972 . . . . 0.0 109.583 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.448 ' HB3' ' HG3' ' B' ' 29' ' ' LYS . 0.2 OUTLIER -106.46 -67.76 0.92 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.27 -0.894 . . . . 0.0 109.461 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . 0.404 ' CA ' ' HB2' ' B' ' 29' ' ' LYS . . . 85.65 -54.75 4.83 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.757 -1.337 . . . . 0.0 109.757 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -100.16 23.13 10.4 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.097 -1.237 . . . . 0.0 109.615 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -95.66 161.75 23.04 Favored Glycine 0 N--CA 1.487 2.049 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -104.14 148.25 26.49 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.329 -1.101 . . . . 0.0 109.468 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.454 ' SG ' ' HD3' ' B' ' 29' ' ' LYS . 3.3 m -117.5 173.47 6.69 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.163 -0.96 . . . . 0.0 109.583 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -108.43 -177.96 3.47 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.336 -0.853 . . . . 0.0 109.198 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.587 ' CE2' ' HG3' ' B' ' 71' ' ' GLN . 36.7 p90 -79.89 -33.0 40.3 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.026 -1.046 . . . . 0.0 109.479 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . 0.587 ' HG3' ' CE2' ' B' ' 70' ' ' PHE . 0.1 OUTLIER -79.03 -23.95 43.96 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.113 -0.992 . . . . 0.0 108.547 179.09 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -77.0 -54.82 6.07 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.401 -0.812 . . . . 0.0 108.881 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.512 ' CE1' ' CD1' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -62.81 -25.9 68.48 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.279 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' MET . . . . . 0.442 ' HB2' ' O ' ' B' ' 70' ' ' PHE . 6.2 mmm -71.45 -51.95 21.08 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.58 -0.7 . . . . 0.0 109.435 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.469 ' O ' ' HG3' ' B' ' 79' ' ' MET . . . -68.42 -20.82 64.68 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.136 -0.977 . . . . 0.0 109.091 179.725 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.57 ' CE2' HG13 ' B' ' 56' ' ' VAL . 0.7 OUTLIER -74.93 -35.3 62.18 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.383 -0.823 . . . . 0.0 109.352 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.474 HG13 ' CE ' ' A' ' 7' ' ' MET . 88.1 t -73.04 -26.14 22.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.38 -0.825 . . . . 0.0 109.832 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.402 ' O ' ' OG1' ' B' ' 82' ' ' THR . 50.8 m -78.51 -41.54 32.09 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.23 -0.919 . . . . 0.0 110.678 -179.252 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' MET . . . . . 0.489 ' HB3' ' CG1' ' B' ' 52' ' ' VAL . 0.0 OUTLIER -61.7 -42.3 98.76 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.02 -1.05 . . . . 0.0 110.249 -179.267 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . 0.539 HG22 ' CG2' ' B' ' 36' ' ' ILE . 3.2 m -79.97 -38.47 18.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.086 -1.009 . . . . 0.0 110.876 -178.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.475 ' OG1' ' HE1' ' A' ' 7' ' ' MET . 46.0 m -66.98 -6.76 18.14 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.88 -1.138 . . . . 0.0 109.808 -179.524 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.428 ' HB ' ' HG2' ' A' ' 71' ' ' GLN . 2.4 p -111.14 -26.79 9.02 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.086 -1.009 . . . . 0.0 109.679 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . 0.447 ' O ' ' O ' ' B' ' 84' ' ' CYS . . . -54.11 -91.34 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.189 -0.944 . . . . 0.0 109.563 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . 0.451 ' O ' ' HB2' ' B' ' 48' ' ' LYS . 3.8 m 44.81 -169.0 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.246 -0.909 . . . . 0.0 109.665 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.487 ' HA ' ' HB2' ' B' ' 48' ' ' LYS . 1.0 OUTLIER -129.25 -45.56 1.23 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.264 -0.897 . . . . 0.0 109.36 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . 0.471 ' O ' ' CB ' ' B' ' 87' ' ' PHE . 55.1 mt-10 -90.24 34.35 0.87 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.271 -0.893 . . . . 0.0 109.163 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . 0.521 ' CE1' ' CZ ' ' B' ' 88' ' ' PHE . 0.4 OUTLIER 72.74 -146.73 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.194 -0.941 . . . . 0.0 109.202 -179.795 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.576 ' CD2' ' CG2' ' A' ' 11' ' ' ILE . 17.9 m-85 -65.8 -78.01 0.06 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.164 -0.96 . . . . 0.0 109.611 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -108.58 -72.47 0.72 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.199 -0.938 . . . . 0.0 109.432 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . 0.484 ' CG ' ' N ' ' B' ' 91' ' ' GLU . 42.1 p-80 -152.75 -39.38 0.1 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.273 -0.892 . . . . 0.0 109.516 179.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.484 ' N ' ' CG ' ' B' ' 90' ' ' HIS . 2.9 tt0 . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 118.013 -0.994 . . . . 0.0 109.425 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.464 ' OG ' ' HG3' ' A' ' 4' ' ' GLU . 28.9 p -129.85 -177.27 4.21 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.326 -0.859 . . . . 0.0 109.618 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.547 ' HB2' ' CG2' ' B' ' 13' ' ' VAL . 30.3 mm-40 -80.42 -41.01 25.3 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.309 -0.869 . . . . 0.0 109.925 -179.74 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.515 HD13 ' CD2' ' B' ' 10' ' ' LEU . 7.3 tp -69.93 -39.81 75.88 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.295 -0.878 . . . . 0.0 110.71 -179.116 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.531 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 37.4 mt-10 -73.26 -65.74 0.77 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.954 -1.091 . . . . 0.0 110.667 -178.629 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.4 -34.03 56.15 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 120.789 -1.194 . . . . 0.0 110.125 -179.065 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.473 ' O ' ' HB1' ' A' ' 9' ' ' ALA . . . -81.34 -68.73 0.67 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.149 -0.97 . . . . 0.0 110.883 -179.366 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.542 ' CE ' ' HA ' ' B' ' 78' ' ' SER . 1.6 tpt -52.19 -53.15 46.87 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.176 -0.952 . . . . 0.0 109.822 -178.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.531 ' CG2' ' O ' ' A' ' 4' ' ' GLU . 8.6 t -54.28 -31.09 21.76 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 O-C-N 121.49 -0.756 . . . . 0.0 109.313 -179.731 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.473 ' HB1' ' O ' ' A' ' 6' ' ' ALA . . . -66.92 -42.94 84.53 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.078 -1.014 . . . . 0.0 109.192 179.533 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.51 ' CD2' HD13 ' B' ' 3' ' ' LEU . 0.2 OUTLIER -50.81 -49.66 58.03 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.259 -0.901 . . . . 0.0 108.642 179.303 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.577 HG21 ' CE1' ' B' ' 88' ' ' PHE . 1.7 mt -49.39 -41.29 15.13 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.073 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -52.09 -52.91 48.33 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 179.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.544 ' CG2' ' HB2' ' B' ' 2' ' ' GLU . 96.9 t -45.84 -41.39 3.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.319 -0.863 . . . . 0.0 109.133 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.469 ' CD2' HD11 ' A' ' 27' ' ' LEU . 39.7 t80 -66.09 -41.8 90.18 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.277 -0.889 . . . . 0.0 109.244 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.433 ' O ' ' CG ' ' A' ' 15' ' ' HIS . 30.6 t-80 -86.91 10.72 15.34 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.327 -0.858 . . . . 0.0 109.181 179.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -107.12 -45.26 4.17 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.333 -0.855 . . . . 0.0 109.553 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.562 ' CD2' ' CD2' ' A' ' 35' ' ' LEU . 20.1 m-85 -82.57 -30.26 29.73 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.191 -0.943 . . . . 0.0 109.57 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.5 t -85.29 3.61 38.83 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.165 -0.959 . . . . 0.0 109.57 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -94.05 -60.02 1.15 Allowed Glycine 0 N--CA 1.488 2.146 0 N-CA-C 109.621 -1.392 . . . . 0.0 109.621 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.63 -19.78 17.93 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.252 -1.146 . . . . 0.0 109.491 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -71.33 -165.29 0.13 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.192 -0.943 . . . . 0.0 109.292 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.79 -38.21 8.89 Favored Glycine 0 N--CA 1.488 2.157 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.58 -173.75 3.93 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.384 -1.068 . . . . 0.0 109.383 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.431 ' HG2' ' O ' ' A' ' 24' ' ' LYS . 43.0 tttt -154.51 17.61 0.47 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.127 -0.983 . . . . 0.0 109.709 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.682 ' CD2' ' CD2' ' B' ' 87' ' ' PHE . 0.1 OUTLIER -155.66 15.19 0.37 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.068 -1.02 . . . . 0.0 110.227 -179.641 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.31 132.02 14.97 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.97 -1.081 . . . . 0.0 109.513 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.469 HD11 ' CD2' ' A' ' 14' ' ' PHE . 0.4 OUTLIER -91.37 -159.22 0.62 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.168 -0.958 . . . . 0.0 109.274 179.727 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 67' ' ' GLU . 12.0 mtmt -145.75 157.93 43.9 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.113 -0.992 . . . . 0.0 109.5 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.477 ' HE2' ' HB2' ' A' ' 63' ' ' ASP . 1.9 mtpp -71.8 -26.99 62.63 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.218 -0.926 . . . . 0.0 109.377 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.0 t -80.14 -36.31 35.39 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.259 -0.901 . . . . 0.0 109.297 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.485 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 1.3 tt0 -82.06 -18.0 44.7 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 179.192 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.495 ' O ' HG13 ' A' ' 36' ' ' ILE . 14.2 tp -80.87 -43.91 19.18 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 178.45 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.445 ' HG3' HD12 ' A' ' 60' ' ' LEU . 16.5 ttpp -56.86 -38.54 72.86 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 179.044 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.557 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 7.3 pt-20 -77.74 -39.68 43.58 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 179.695 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.562 ' CD2' ' CD2' ' A' ' 17' ' ' TYR . 0.1 OUTLIER -48.8 -46.81 42.27 Favored 'General case' 0 C--N 1.296 -1.745 0 O-C-N 121.577 -0.702 . . . . 0.0 109.3 179.776 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.518 HG23 ' CD2' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -81.4 -54.55 9.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.389 -0.819 . . . . 0.0 110.837 -179.356 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -71.88 2.41 5.57 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.223 -0.923 . . . . 0.0 111.449 -178.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.557 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 1.2 t30 -111.34 -50.38 2.94 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.805 -1.185 . . . . 0.0 109.496 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.489 ' O ' ' HB3' ' B' ' 3' ' ' LEU . 0.0 OUTLIER -140.94 41.41 1.82 Allowed 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.233 -0.917 . . . . 0.0 109.611 179.907 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.523 ' HG ' ' N ' ' A' ' 41' ' ' SER . 0.5 OUTLIER -61.1 -78.11 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.097 -1.002 . . . . 0.0 108.659 179.53 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.523 ' N ' ' HG ' ' A' ' 40' ' ' LEU . 1.6 p -162.65 44.03 0.13 Allowed 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.305 -0.872 . . . . 0.0 108.76 179.61 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 49.12 23.74 0.81 Allowed 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.347 -0.846 . . . . 0.0 109.115 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.471 ' HB3' ' SG ' ' A' ' 84' ' ' CYS . 11.2 m-85 -110.88 102.91 11.38 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.496 -0.753 . . . . 0.0 109.434 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -176.78 90.76 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.279 -0.888 . . . . 0.0 109.521 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.502 ' HG3' ' N ' ' A' ' 46' ' ' GLU . 3.8 pt-20 -176.81 -32.99 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.202 -0.936 . . . . 0.0 109.553 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.502 ' N ' ' HG3' ' A' ' 45' ' ' GLU . 14.7 mt-10 -103.56 -59.83 1.66 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.28 -0.888 . . . . 0.0 109.554 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.455 ' HB ' ' O ' ' A' ' 46' ' ' GLU . 24.1 mt 67.26 109.93 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.376 -0.828 . . . . 0.0 109.522 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.27 -42.53 5.24 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.369 -0.832 . . . . 0.0 109.225 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.517 ' HB3' ' CG2' ' A' ' 52' ' ' VAL . 10.7 mm-40 -88.87 73.55 8.37 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.24 -0.913 . . . . 0.0 109.313 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.53 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 29.4 tt0 -55.99 -22.58 27.65 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.351 -0.843 . . . . 0.0 109.421 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -79.12 -42.8 25.42 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.173 -0.954 . . . . 0.0 109.599 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.53 ' CG1' ' HB3' ' A' ' 79' ' ' MET . 51.1 t -61.23 -60.98 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.291 -0.881 . . . . 0.0 109.391 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.543 ' O ' ' CB ' ' A' ' 57' ' ' MET . 71.6 t -62.32 -28.07 43.88 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 O-C-N 121.35 -0.844 . . . . 0.0 109.64 -179.552 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.53 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 10.9 t0 -72.37 -24.96 61.34 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.921 -1.112 . . . . 0.0 108.952 179.549 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.543 ' CD ' ' HE2' ' A' ' 79' ' ' MET . 0.2 OUTLIER -80.82 -56.79 3.89 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.392 -0.818 . . . . 0.0 109.941 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.547 ' HB ' ' CD2' ' A' ' 76' ' ' PHE . 33.7 m -65.89 -48.19 82.85 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.36 0 O-C-N 120.961 -1.087 . . . . 0.0 108.838 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.543 ' CB ' ' O ' ' A' ' 53' ' ' VAL . 0.2 OUTLIER -60.01 -23.2 63.48 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.393 -0.817 . . . . 0.0 108.882 179.226 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.484 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 1.8 mt-10 -68.17 -54.33 18.66 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.272 -0.892 . . . . 0.0 109.253 179.662 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.68 -29.91 70.39 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.474 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.457 HD11 ' HA ' ' A' ' 57' ' ' MET . 8.9 mt -62.44 -51.47 67.36 Favored 'General case' 0 C--N 1.302 -1.46 0 CA-C-O 121.514 0.673 . . . . 0.0 109.248 179.47 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.85 -4.51 52.53 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.465 -0.772 . . . . 0.0 109.562 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -71.33 -67.42 0.52 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.158 -0.964 . . . . 0.0 109.625 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.477 ' HB2' ' HE2' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -87.91 -48.21 7.98 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.347 -0.845 . . . . 0.0 109.562 -179.822 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.4 -52.61 4.51 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.581 -1.408 . . . . 0.0 109.581 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -123.05 78.69 1.58 Allowed 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.188 -1.183 . . . . 0.0 109.505 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.441 ' HA3' ' HD2' ' A' ' 29' ' ' LYS . . . -129.44 -161.33 10.51 Favored Glycine 0 N--CA 1.486 2.01 0 N-CA-C 109.486 -1.446 . . . . 0.0 109.486 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.441 ' HA ' ' HA ' ' A' ' 28' ' ' LYS . 24.0 mt-10 -120.99 132.68 55.06 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.25 -1.147 . . . . 0.0 109.458 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 97.6 m -104.64 179.32 4.3 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.256 -0.902 . . . . 0.0 108.93 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -134.08 154.7 51.01 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.061 -1.025 . . . . 0.0 109.53 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.648 ' CE2' ' CG2' ' B' ' 82' ' ' THR . 0.1 OUTLIER -47.84 -26.04 1.51 Allowed 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.316 -0.865 . . . . 0.0 110.441 -179.808 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.506 ' HG2' ' CG2' ' B' ' 82' ' ' THR . 0.8 OUTLIER -79.52 -52.38 8.1 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.094 -1.004 . . . . 0.0 109.452 179.566 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.57 ' OE2' ' CE1' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -57.85 -56.98 14.96 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.308 -0.87 . . . . 0.0 109.836 -179.683 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.476 ' C ' ' CD1' ' A' ' 73' ' ' PHE . 0.2 OUTLIER -56.06 -18.15 8.87 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.122 -0.986 . . . . 0.0 108.967 179.773 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.549 ' HA ' ' CE ' ' A' ' 74' ' ' MET . 0.7 OUTLIER -79.35 -60.05 2.52 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.126 -0.984 . . . . 0.0 109.917 -179.779 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.46 ' O ' ' HG3' ' A' ' 79' ' ' MET . . . -66.0 -17.19 64.52 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.606 -0.684 . . . . 0.0 109.326 -179.575 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.57 ' CE1' ' OE2' ' A' ' 72' ' ' GLU . 2.2 m-85 -81.17 -33.57 32.96 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.472 -0.767 . . . . 0.0 109.842 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.457 ' O ' ' OG1' ' A' ' 81' ' ' THR . 53.7 t -75.11 -29.37 21.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.182 -0.949 . . . . 0.0 109.952 -179.658 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.551 ' HA ' ' CE ' ' B' ' 7' ' ' MET . 2.4 p -78.69 -34.47 46.09 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.187 -0.946 . . . . 0.0 110.043 -179.495 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.543 ' HE2' ' CD ' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -65.23 -42.95 92.89 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.182 -0.949 . . . . 0.0 110.24 -179.54 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.441 HG22 HD23 ' A' ' 40' ' ' LEU . 6.3 m -80.91 -38.76 17.23 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.128 -0.982 . . . . 0.0 111.254 -178.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.461 ' OG1' ' HE1' ' B' ' 7' ' ' MET . 30.4 m -62.92 -11.74 20.55 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.869 -1.145 . . . . 0.0 109.738 -179.364 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.64 ' CG2' ' CE2' ' B' ' 70' ' ' PHE . 1.3 m -111.3 -26.74 8.99 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.254 -0.904 . . . . 0.0 109.306 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.476 ' CB ' HG21 ' A' ' 53' ' ' VAL . . . -68.61 -49.61 57.91 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.061 -1.024 . . . . 0.0 110.748 -179.309 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.471 ' SG ' ' HB3' ' A' ' 43' ' ' PHE . 4.6 t -40.37 -72.81 0.06 Allowed 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.178 -0.951 . . . . 0.0 110.802 -178.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.409 ' H ' ' CD2' ' A' ' 85' ' ' HIS . 0.5 OUTLIER -92.1 165.03 13.37 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.027 -1.046 . . . . 0.0 110.186 -179.038 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.7 tm-20 -77.57 -32.49 53.8 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.327 -0.858 . . . . 0.0 109.257 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.673 ' CD2' ' CD2' ' B' ' 25' ' ' HIS . 0.1 OUTLIER -153.74 -81.27 0.09 Allowed 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.162 -0.961 . . . . 0.0 110.022 179.888 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.619 ' CE2' ' CD1' ' A' ' 87' ' ' PHE . 35.1 m-85 -146.81 89.22 1.8 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.042 -1.036 . . . . 0.0 109.169 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -77.29 3.39 13.08 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.233 -0.917 . . . . 0.0 109.579 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -59.32 -25.81 64.48 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.264 -0.897 . . . . 0.0 109.44 179.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 N--CA 1.491 1.576 0 CA-C-O 117.972 -1.013 . . . . 0.0 109.433 -179.934 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.462 ' OG ' ' HG3' ' B' ' 4' ' ' GLU . 28.7 p -129.87 -177.36 4.25 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.174 -0.954 . . . . 0.0 109.572 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.544 ' HB2' ' CG2' ' A' ' 13' ' ' VAL . 30.2 mm-40 -80.39 -41.02 25.38 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.306 -0.871 . . . . 0.0 109.901 -179.696 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.51 HD13 ' CD2' ' A' ' 10' ' ' LEU . 7.3 tp -69.98 -39.73 75.76 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.339 -0.85 . . . . 0.0 110.701 -179.07 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.532 ' O ' ' CG2' ' B' ' 8' ' ' VAL . 37.1 mt-10 -73.24 -65.74 0.77 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.911 -1.118 . . . . 0.0 110.736 -178.713 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.43 -34.04 56.32 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 120.705 -1.247 . . . . 0.0 109.993 -179.039 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . 0.476 ' CB ' ' O ' ' B' ' 2' ' ' GLU . . . -81.36 -68.83 0.66 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.081 -1.012 . . . . 0.0 110.828 -179.297 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' MET . . . . . 0.551 ' CE ' ' HA ' ' A' ' 78' ' ' SER . 1.6 tpt -52.11 -53.28 44.46 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.224 -0.923 . . . . 0.0 109.74 -178.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . 0.532 ' CG2' ' O ' ' B' ' 4' ' ' GLU . 8.5 t -54.21 -31.05 21.43 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.622 0 O-C-N 121.45 -0.781 . . . . 0.0 109.389 -179.702 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . 0.472 ' HB1' ' O ' ' B' ' 6' ' ' ALA . . . -66.95 -42.98 84.31 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.031 -1.043 . . . . 0.0 109.147 179.523 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.515 ' CD2' HD13 ' A' ' 3' ' ' LEU . 0.2 OUTLIER -50.8 -49.57 58.2 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.248 -0.907 . . . . 0.0 108.567 179.336 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.566 HG21 ' CE1' ' A' ' 88' ' ' PHE . 1.7 mt -49.43 -41.33 15.33 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 179.104 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -52.05 -52.86 48.28 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.473 -0.767 . . . . 0.0 108.962 179.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . 0.547 ' CG2' ' HB2' ' A' ' 2' ' ' GLU . 95.3 t -45.81 -41.48 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.357 -0.84 . . . . 0.0 109.128 179.633 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.476 ' CD2' HD11 ' B' ' 27' ' ' LEU . 39.4 t80 -65.98 -41.9 90.52 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.243 -0.911 . . . . 0.0 109.302 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . 0.424 ' O ' ' CG ' ' B' ' 15' ' ' HIS . 30.6 t-80 -86.81 10.6 15.5 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.195 -0.941 . . . . 0.0 109.285 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -107.01 -45.27 4.2 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.388 -0.82 . . . . 0.0 109.637 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.563 ' CD2' ' CD2' ' B' ' 35' ' ' LEU . 19.9 m-85 -82.58 -30.35 29.65 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.248 -0.907 . . . . 0.0 109.515 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 5.4 t -85.16 3.55 38.6 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.185 -0.947 . . . . 0.0 109.582 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -94.11 -59.94 1.15 Allowed Glycine 0 N--CA 1.488 2.146 0 N-CA-C 109.641 -1.384 . . . . 0.0 109.641 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.61 -19.73 17.59 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.138 -1.213 . . . . 0.0 109.588 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -71.32 -165.3 0.13 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.255 -0.903 . . . . 0.0 109.339 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.8 -38.21 8.88 Favored Glycine 0 N--CA 1.489 2.189 0 N-CA-C 109.396 -1.482 . . . . 0.0 109.396 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.59 -173.73 3.92 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.404 -1.056 . . . . 0.0 109.39 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.429 ' O ' ' HG2' ' B' ' 24' ' ' LYS . 42.8 tttt -154.55 17.68 0.46 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.242 -0.911 . . . . 0.0 109.694 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . 0.673 ' CD2' ' CD2' ' A' ' 87' ' ' PHE . 0.1 OUTLIER -155.77 15.31 0.36 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.188 -0.945 . . . . 0.0 110.257 -179.632 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.4 132.09 14.94 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.012 -1.055 . . . . 0.0 109.513 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.476 HD11 ' CD2' ' B' ' 14' ' ' PHE . 0.4 OUTLIER -91.41 -159.09 0.61 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.292 -0.88 . . . . 0.0 109.257 179.72 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.45 ' HA ' ' HA ' ' B' ' 67' ' ' GLU . 12.2 mtmt -145.8 157.97 43.89 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.088 -1.007 . . . . 0.0 109.601 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.472 ' HE2' ' HB2' ' B' ' 63' ' ' ASP . 1.9 mtpp -71.71 -27.09 62.79 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.262 -0.899 . . . . 0.0 109.387 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 8.0 t -80.12 -36.22 35.61 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.296 -0.878 . . . . 0.0 109.373 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.492 ' O ' ' HG2' ' B' ' 34' ' ' GLU . 1.3 tp10 -82.16 -18.02 44.25 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 179.22 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.491 ' O ' HG13 ' B' ' 36' ' ' ILE . 14.2 tp -80.9 -43.91 19.12 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 178.439 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.451 ' HG3' HD12 ' B' ' 60' ' ' LEU . 16.6 ttpp -56.93 -38.62 73.16 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 179.098 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.556 ' O ' ' CB ' ' B' ' 38' ' ' ASN . 7.4 pt-20 -77.63 -39.72 44.3 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 179.69 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.563 ' CD2' ' CD2' ' B' ' 17' ' ' TYR . 0.1 OUTLIER -48.86 -46.7 42.71 Favored 'General case' 0 C--N 1.296 -1.744 0 O-C-N 121.642 -0.661 . . . . 0.0 109.314 179.763 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.521 HG23 ' CD2' ' B' ' 40' ' ' LEU . 0.2 OUTLIER -81.48 -54.48 9.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.419 -0.8 . . . . 0.0 110.823 -179.294 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -72.05 2.42 5.76 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.209 -0.932 . . . . 0.0 111.476 -178.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.556 ' CB ' ' O ' ' B' ' 34' ' ' GLU . 1.2 t30 -111.3 -50.42 2.94 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.827 -1.171 . . . . 0.0 109.537 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.48 ' O ' ' HG3' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -140.91 41.5 1.82 Allowed 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.217 -0.927 . . . . 0.0 109.652 179.857 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.523 ' HG ' ' N ' ' B' ' 41' ' ' SER . 0.5 OUTLIER -61.16 -78.23 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.138 -0.976 . . . . 0.0 108.625 179.494 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.523 ' HB3' ' CG2' ' A' ' 8' ' ' VAL . 1.6 p -162.57 43.97 0.13 Allowed 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.337 -0.852 . . . . 0.0 108.832 179.608 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 49.14 23.76 0.83 Allowed 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.483 -0.761 . . . . 0.0 109.075 -179.677 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . 0.474 ' HB3' ' SG ' ' B' ' 84' ' ' CYS . 11.4 m-85 -110.79 102.86 11.36 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.397 -0.815 . . . . 0.0 109.457 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -176.8 90.68 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.339 -0.85 . . . . 0.0 109.533 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.505 ' HG3' ' N ' ' B' ' 46' ' ' GLU . 3.8 pt-20 -176.76 -32.79 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.154 -0.966 . . . . 0.0 109.637 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.505 ' N ' ' HG3' ' B' ' 45' ' ' GLU . 14.7 mt-10 -103.76 -59.75 1.68 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.182 -0.949 . . . . 0.0 109.486 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.45 ' HB ' ' O ' ' B' ' 46' ' ' GLU . 24.3 mt 67.24 110.06 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.365 -0.834 . . . . 0.0 109.501 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.42 -42.43 5.24 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.235 -0.915 . . . . 0.0 109.231 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.516 ' HB3' ' CG2' ' B' ' 52' ' ' VAL . 10.6 mm-40 -88.94 73.68 8.3 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.34 -0.85 . . . . 0.0 109.252 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . 0.524 ' O ' ' CB ' ' B' ' 54' ' ' ASP . 29.4 tt0 -56.01 -22.63 28.12 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.34 -0.85 . . . . 0.0 109.381 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -79.16 -42.73 25.47 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.167 -0.958 . . . . 0.0 109.587 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.526 ' CG1' ' HB3' ' B' ' 79' ' ' MET . 50.8 t -61.35 -60.94 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.17 -0.956 . . . . 0.0 109.418 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.54 ' O ' ' CB ' ' B' ' 57' ' ' MET . 72.7 t -62.21 -28.08 43.82 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 O-C-N 121.246 -0.909 . . . . 0.0 109.695 -179.655 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . 0.524 ' CB ' ' O ' ' B' ' 50' ' ' GLN . 10.8 t0 -72.42 -24.92 61.3 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 120.937 -1.102 . . . . 0.0 108.88 179.613 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.541 ' CD ' ' HE2' ' B' ' 79' ' ' MET . 0.2 OUTLIER -80.93 -56.79 3.88 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.39 -0.819 . . . . 0.0 109.899 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.539 ' HB ' ' CD2' ' B' ' 76' ' ' PHE . 33.6 m -66.0 -48.04 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.363 0 O-C-N 120.951 -1.093 . . . . 0.0 108.829 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.54 ' CB ' ' O ' ' B' ' 53' ' ' VAL . 0.2 OUTLIER -60.21 -23.05 63.71 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.403 -0.811 . . . . 0.0 108.88 179.289 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . 0.477 ' HB2' ' O ' ' B' ' 54' ' ' ASP . 1.8 mt-10 -68.22 -54.26 19.02 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.287 -0.883 . . . . 0.0 109.252 179.653 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.84 -29.84 70.44 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.461 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.451 HD12 ' HG3' ' B' ' 33' ' ' LYS . 9.0 mt -62.35 -51.51 67.32 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-O 121.584 0.707 . . . . 0.0 109.289 179.397 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.89 -4.48 52.51 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.527 -0.733 . . . . 0.0 109.538 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -71.33 -67.4 0.52 Allowed 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.259 -0.901 . . . . 0.0 109.653 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.472 ' HB2' ' HE2' ' B' ' 29' ' ' LYS . 0.2 OUTLIER -87.95 -48.12 8.03 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.415 -0.803 . . . . 0.0 109.666 -179.873 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.34 -52.65 4.52 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -123.08 78.61 1.58 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.255 -1.144 . . . . 0.0 109.519 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.432 ' HA3' ' HD2' ' B' ' 29' ' ' LYS . . . -129.33 -161.28 10.51 Favored Glycine 0 N--CA 1.487 2.064 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.45 ' HA ' ' HA ' ' B' ' 28' ' ' LYS . 24.0 mt-10 -121.02 132.75 55.09 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.2 -1.176 . . . . 0.0 109.504 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 98.4 m -104.75 179.31 4.31 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.262 -0.899 . . . . 0.0 108.78 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -134.09 154.6 51.08 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.016 -1.052 . . . . 0.0 109.613 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.64 ' CE2' ' CG2' ' A' ' 82' ' ' THR . 0.1 OUTLIER -47.62 -26.15 1.39 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.382 -0.824 . . . . 0.0 110.447 -179.874 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . 0.495 ' HG2' ' CG2' ' A' ' 82' ' ' THR . 0.8 OUTLIER -79.58 -52.44 8.0 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.083 -1.011 . . . . 0.0 109.457 179.636 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.571 ' OE2' ' CE1' ' B' ' 76' ' ' PHE . 0.2 OUTLIER -57.83 -56.99 14.89 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.286 -0.884 . . . . 0.0 109.766 -179.661 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.482 ' CD1' ' C ' ' B' ' 73' ' ' PHE . 0.2 OUTLIER -56.05 -18.09 8.68 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.106 -0.996 . . . . 0.0 108.933 179.798 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' MET . . . . . 0.534 ' HA ' ' CE ' ' B' ' 74' ' ' MET . 0.7 OUTLIER -79.43 -60.18 2.46 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.203 -0.935 . . . . 0.0 109.883 -179.808 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.463 ' O ' ' HG3' ' B' ' 79' ' ' MET . . . -65.92 -17.0 64.37 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.505 -0.747 . . . . 0.0 109.294 -179.499 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.571 ' CE1' ' OE2' ' B' ' 72' ' ' GLU . 2.2 m-85 -81.38 -33.53 32.26 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.488 -0.758 . . . . 0.0 109.808 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.45 ' O ' ' OG1' ' B' ' 81' ' ' THR . 53.2 t -75.24 -29.34 21.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.165 -0.959 . . . . 0.0 109.831 -179.605 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.542 ' HA ' ' CE ' ' A' ' 7' ' ' MET . 2.4 p -78.64 -34.39 46.52 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.144 -0.973 . . . . 0.0 110.155 -179.614 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' MET . . . . . 0.541 ' HE2' ' CD ' ' B' ' 55' ' ' LYS . 0.2 OUTLIER -65.44 -42.86 91.97 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.077 -1.014 . . . . 0.0 110.27 -179.525 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . 0.438 HG22 HD23 ' B' ' 40' ' ' LEU . 6.3 m -80.89 -38.69 17.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.109 -0.994 . . . . 0.0 111.295 -178.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.466 ' OG1' ' HE1' ' A' ' 7' ' ' MET . 29.9 m -62.91 -11.65 19.94 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.852 -1.155 . . . . 0.0 109.751 -179.464 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.648 ' CG2' ' CE2' ' A' ' 70' ' ' PHE . 1.3 m -111.35 -26.85 8.91 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.223 -0.923 . . . . 0.0 109.324 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . 0.477 ' CB ' HG21 ' B' ' 53' ' ' VAL . . . -68.49 -49.6 58.56 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.176 -0.952 . . . . 0.0 110.779 -179.314 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . 0.474 ' SG ' ' HB3' ' B' ' 43' ' ' PHE . 4.6 t -40.41 -72.71 0.06 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.191 -0.943 . . . . 0.0 110.901 -178.702 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.418 ' H ' ' CD2' ' B' ' 85' ' ' HIS . 0.5 OUTLIER -92.15 165.0 13.37 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.135 -0.978 . . . . 0.0 110.155 -179.035 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 13.6 tm-20 -77.45 -32.54 54.57 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.189 -0.944 . . . . 0.0 109.285 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . 0.682 ' CD2' ' CD2' ' A' ' 25' ' ' HIS . 0.1 OUTLIER -153.81 -81.21 0.09 Allowed 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.221 -0.925 . . . . 0.0 109.999 179.928 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.616 ' CE2' ' CD1' ' B' ' 87' ' ' PHE . 35.2 m-85 -146.84 89.12 1.79 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.027 -1.046 . . . . 0.0 109.152 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -77.24 3.41 12.94 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.279 -0.888 . . . . 0.0 109.628 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -59.34 -25.74 64.45 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.143 -0.973 . . . . 0.0 109.382 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 118.071 -0.966 . . . . 0.0 109.46 -179.912 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 1.1 mtm . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.421 ' OG ' ' HB3' ' A' ' 4' ' ' GLU . 78.1 p -157.24 -174.15 4.77 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.31 -0.869 . . . . 0.0 109.541 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.544 ' HB3' ' CG2' ' B' ' 13' ' ' VAL . 2.7 tp10 -79.81 -38.82 32.15 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.307 -0.871 . . . . 0.0 109.667 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.457 ' CD2' HD11 ' B' ' 35' ' ' LEU . 11.2 tp -79.54 -50.57 10.52 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.284 -0.885 . . . . 0.0 109.788 -179.65 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.549 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 6.0 tm-20 -54.56 -30.99 55.78 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.246 -0.909 . . . . 0.0 110.226 -179.347 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.414 ' HB2' ' O ' ' A' ' 1' ' ' SER . 3.2 mttt -81.0 -49.48 10.88 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.734 -1.229 . . . . 0.0 110.204 -179.471 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.471 ' O ' ' HB3' ' B' ' 6' ' ' ALA . . . -71.8 -63.3 1.16 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.183 -0.948 . . . . 0.0 110.27 -179.185 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.536 ' HG2' ' CD1' ' B' ' 40' ' ' LEU . 7.3 tpt -47.97 -53.75 15.06 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.283 -0.886 . . . . 0.0 109.943 -179.427 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.549 ' CG2' ' O ' ' A' ' 4' ' ' GLU . 18.2 t -64.78 -28.69 45.38 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.518 0 O-C-N 121.471 -0.768 . . . . 0.0 109.583 -179.421 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.447 ' HB1' ' HB3' ' B' ' 6' ' ' ALA . . . -66.43 -33.0 74.72 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.191 -0.943 . . . . 0.0 108.983 179.42 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.496 ' CD1' ' CE ' ' A' ' 74' ' ' MET . 0.4 OUTLIER -60.66 -50.37 73.79 Favored 'General case' 0 N--CA 1.486 1.375 0 O-C-N 121.245 -0.909 . . . . 0.0 108.614 179.446 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.564 HG21 ' CE1' ' B' ' 88' ' ' PHE . 10.3 mt -49.97 -27.79 3.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 179.026 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -66.96 -48.09 69.62 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.641 -0.662 . . . . 0.0 109.358 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.544 ' CG2' ' HB3' ' B' ' 2' ' ' GLU . 47.9 t -47.13 -45.19 8.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.319 -0.863 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.407 ' CE1' ' HD1' ' A' ' 70' ' ' PHE . 1.2 t80 -55.33 -54.4 44.07 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.211 -0.931 . . . . 0.0 109.554 -179.758 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -59.61 -21.08 59.89 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.165 -0.959 . . . . 0.0 108.977 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -79.68 -30.01 40.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.51 -0.744 . . . . 0.0 109.402 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.417 ' O ' ' C ' ' A' ' 18' ' ' SER . 73.5 m-85 -106.56 -80.23 0.56 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.288 -0.883 . . . . 0.0 109.675 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 17' ' ' TYR . 0.2 OUTLIER -43.83 -32.81 1.15 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.252 -0.905 . . . . 0.0 109.698 -179.849 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.41 46.44 3.2 Favored Glycine 0 N--CA 1.488 2.147 0 N-CA-C 109.973 -1.251 . . . . 0.0 109.973 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.448 ' CD ' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -153.93 19.82 0.51 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.098 -1.236 . . . . 0.0 109.601 179.703 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -137.6 -69.36 0.45 Allowed 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.222 -0.924 . . . . 0.0 109.549 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -157.83 -91.03 0.08 OUTLIER Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.6 -1.4 . . . . 0.0 109.6 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -53.58 168.97 0.15 Allowed 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.274 -1.133 . . . . 0.0 109.484 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.02 40.18 3.24 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.2 -0.938 . . . . 0.0 109.598 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 -165.52 23.43 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.211 -0.93 . . . . 0.0 109.718 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.407 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 14.1 ptpt -150.59 151.53 32.72 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.14 -0.975 . . . . 0.0 109.623 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.75 -154.24 0.51 Allowed 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.239 -0.913 . . . . 0.0 109.202 179.554 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.459 ' HG2' ' O ' ' A' ' 66' ' ' GLY . 3.9 mtmt -143.29 131.1 21.47 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.354 -0.841 . . . . 0.0 109.176 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.538 ' O ' ' CD2' ' A' ' 60' ' ' LEU . 0.6 OUTLIER -49.77 -27.27 4.71 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.182 -0.948 . . . . 0.0 109.472 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.472 ' OG ' ' O ' ' A' ' 64' ' ' GLY . 0.3 OUTLIER -68.1 -42.84 79.7 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.226 -0.921 . . . . 0.0 109.7 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -74.01 -23.08 59.38 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 179.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.499 ' O ' HG13 ' A' ' 36' ' ' ILE . 8.2 tp -74.57 -34.46 62.9 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 178.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.478 ' HB2' HD23 ' A' ' 60' ' ' LEU . 54.9 tttt -60.51 -46.39 90.32 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 178.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.553 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 0.0 OUTLIER -71.74 -30.33 65.5 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.165 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.544 ' N ' ' HG3' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -56.83 -40.54 76.21 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 108.739 -0.838 . . . . 0.0 108.739 179.316 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -81.75 -61.21 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.325 -0.859 . . . . 0.0 110.256 179.889 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -66.26 -3.22 5.39 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.449 -0.782 . . . . 0.0 111.522 -178.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.553 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 4.6 t30 -118.14 -75.68 0.58 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.698 -1.251 . . . . 0.0 109.622 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.475 ' HB3' ' HB3' ' B' ' 3' ' ' LEU . 6.5 mm-40 -47.95 -59.67 3.18 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.979 -1.075 . . . . 0.0 108.861 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.55 ' CD1' ' HG2' ' B' ' 7' ' ' MET . 10.0 mt -70.07 -98.94 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.2 -0.938 . . . . 0.0 108.604 179.287 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.4 t 68.11 2.34 3.16 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.986 -1.071 . . . . 0.0 110.552 179.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.485 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 2.6 t-80 -62.26 -18.13 60.36 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.858 -1.151 . . . . 0.0 108.733 179.751 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.532 ' O ' ' CB ' ' A' ' 44' ' ' LEU . 1.3 m-85 -128.18 -141.55 0.26 Allowed 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.532 ' CB ' ' O ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER 77.55 49.59 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.047 -1.033 . . . . 0.0 109.821 179.55 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.549 ' N ' ' OE1' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -106.98 -60.6 1.65 Allowed 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 178.685 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.501 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 2.4 mt-10 -113.28 27.72 9.36 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 106.736 -1.579 . . . . 0.0 106.736 177.376 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.501 ' HB ' ' O ' ' A' ' 46' ' ' GLU . 1.0 OUTLIER 66.69 143.65 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 -179.028 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.515 ' O ' ' HB3' ' A' ' 85' ' ' HIS . 4.1 mttt -77.51 -74.16 0.27 Allowed 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.344 -0.848 . . . . 0.0 109.308 -179.207 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.558 ' HB2' ' CB ' ' A' ' 83' ' ' ALA . 0.0 OUTLIER -122.54 106.97 11.48 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.048 -1.032 . . . . 0.0 108.823 179.276 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.525 ' O ' ' HB2' ' A' ' 54' ' ' ASP . 4.3 tm0? -46.64 -32.72 3.69 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.04 -1.037 . . . . 0.0 109.075 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.452 ' HB2' ' OE2' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -82.25 -63.82 1.3 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.412 -0.805 . . . . 0.0 110.782 -179.689 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.492 HG22 ' HG3' ' A' ' 49' ' ' GLU . 5.6 t -53.83 -60.37 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 120.959 -1.088 . . . . 0.0 108.881 -179.542 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 49.8 t -54.45 -25.47 14.28 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.599 0 O-C-N 121.615 -0.678 . . . . 0.0 109.908 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.525 ' HB2' ' O ' ' A' ' 50' ' ' GLN . 1.6 m-20 -69.17 -38.88 78.93 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.93 -1.106 . . . . 0.0 109.894 -179.682 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.86 -49.01 61.94 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.17 -0.956 . . . . 0.0 111.277 -178.419 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.537 ' CG1' ' SD ' ' A' ' 79' ' ' MET . 34.3 m -72.05 -45.82 61.74 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 O-C-N 120.763 -1.211 . . . . 0.0 109.257 -179.322 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.435 ' N ' ' CG2' ' A' ' 56' ' ' VAL . 39.7 tpp -65.06 -24.83 67.58 Favored 'General case' 0 C--N 1.295 -1.783 0 O-C-N 121.606 -0.684 . . . . 0.0 109.236 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.516 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 9.8 mt-10 -75.76 -55.81 5.28 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.072 -1.017 . . . . 0.0 109.275 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.02 -28.02 67.38 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.043 -1.036 . . . . 0.0 108.372 179.733 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.538 ' CD2' ' O ' ' A' ' 29' ' ' LYS . 12.0 mt -66.7 -55.58 14.46 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 179.631 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.14 -0.62 36.75 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.492 -0.755 . . . . 0.0 109.59 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.485 ' HB2' ' O ' ' A' ' 58' ' ' GLU . 5.5 tt0 -77.43 -39.84 45.49 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.133 -0.979 . . . . 0.0 109.69 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.38 -47.19 0.51 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.199 -0.938 . . . . 0.0 109.777 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.472 ' O ' ' OG ' ' A' ' 30' ' ' SER . . . 58.84 14.18 22.03 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.695 -1.362 . . . . 0.0 109.695 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -134.31 10.3 3.79 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.063 -1.257 . . . . 0.0 109.422 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.459 ' O ' ' HG2' ' A' ' 28' ' ' LYS . . . -89.74 157.46 26.42 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.756 -1.337 . . . . 0.0 109.756 -179.702 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -89.9 134.39 34.23 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.319 -1.107 . . . . 0.0 109.484 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.8 178.92 4.27 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.223 -0.923 . . . . 0.0 109.395 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -118.15 176.68 5.11 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.251 -0.906 . . . . 0.0 109.233 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.47 ' O ' ' HB2' ' A' ' 74' ' ' MET . 6.7 t80 -70.68 -40.69 72.78 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.135 -0.978 . . . . 0.0 109.204 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.461 ' HG3' ' SG ' ' B' ' 84' ' ' CYS . 0.1 OUTLIER -71.59 -27.5 63.18 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.376 -0.828 . . . . 0.0 109.712 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.65 -61.24 1.94 Allowed 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.117 -0.989 . . . . 0.0 108.803 179.695 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -53.19 -25.0 12.25 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.387 -0.821 . . . . 0.0 109.158 179.467 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.496 ' CE ' ' CD1' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -76.46 -57.02 4.1 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.967 -1.083 . . . . 0.0 109.566 -179.77 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.492 ' O ' ' HG2' ' A' ' 79' ' ' MET . . . -63.97 -13.02 42.93 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.391 -0.818 . . . . 0.0 108.971 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.452 ' CD2' HG13 ' A' ' 56' ' ' VAL . 0.9 OUTLIER -81.37 -48.86 11.39 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.428 -0.795 . . . . 0.0 109.612 179.549 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.471 HG11 ' O ' ' A' ' 77' ' ' VAL . 78.7 t -64.93 -26.89 41.13 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.343 -0.848 . . . . 0.0 109.994 -179.567 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.526 ' O ' ' CG2' ' A' ' 82' ' ' THR . 1.4 m -73.36 -54.45 8.3 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.18 -0.95 . . . . 0.0 110.447 -179.318 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.537 ' SD ' ' CG1' ' A' ' 56' ' ' VAL . 7.8 ptp -52.04 -40.38 61.0 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.151 -0.968 . . . . 0.0 110.737 -178.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.524 ' CG1' HG23 ' A' ' 56' ' ' VAL . 3.3 m -73.56 -40.61 55.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 120.68 -1.262 . . . . 0.0 110.005 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.477 ' CG2' ' HG3' ' B' ' 7' ' ' MET . 11.0 m -67.24 -16.35 64.24 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.989 -1.069 . . . . 0.0 109.247 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.526 ' CG2' ' O ' ' A' ' 78' ' ' SER . 2.2 t -132.07 26.53 4.57 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.305 -0.872 . . . . 0.0 109.134 179.716 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.558 ' CB ' ' HB2' ' A' ' 49' ' ' GLU . . . -52.33 -20.98 3.08 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.399 -0.813 . . . . 0.0 109.282 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.533 ' O ' ' CB ' ' A' ' 85' ' ' HIS . 10.5 m 81.99 -167.64 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.111 0 CA-C-O 121.71 0.767 . . . . 0.0 111.024 179.151 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.533 ' CB ' ' O ' ' A' ' 84' ' ' CYS . 1.1 t-80 81.02 79.72 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.691 -0.631 . . . . 0.0 109.445 -179.616 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 60.15 102.99 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.332 -0.855 . . . . 0.0 109.461 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.64 ' CE2' ' CD1' ' A' ' 88' ' ' PHE . 0.5 OUTLIER -161.5 -159.93 0.67 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.301 -0.874 . . . . 0.0 109.249 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.64 ' CD1' ' CE2' ' A' ' 87' ' ' PHE . 4.2 m-30 48.4 32.56 3.34 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.208 -0.932 . . . . 0.0 109.98 179.576 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.447 ' O ' ' CD2' ' A' ' 90' ' ' HIS . 0.3 OUTLIER -126.36 -37.62 2.19 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.062 -1.024 . . . . 0.0 109.244 179.613 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.575 ' CG ' ' O ' ' A' ' 90' ' ' HIS . 0.0 OUTLIER 57.65 14.75 2.53 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.345 -0.847 . . . . 0.0 109.835 179.623 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 . . . . . 0 C--N 1.303 -1.442 0 CA-C-O 117.923 -1.037 . . . . 0.0 109.521 -179.975 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 1.1 mtm . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.424 ' O ' ' HB2' ' B' ' 5' ' ' LYS . 78.0 p -157.29 -174.16 4.77 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.235 -0.916 . . . . 0.0 109.602 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.544 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 2.6 tp10 -79.84 -38.8 32.04 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.319 -0.863 . . . . 0.0 109.668 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.502 ' CD2' HD11 ' A' ' 35' ' ' LEU . 11.1 tp -79.53 -50.65 10.41 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.345 -0.847 . . . . 0.0 109.754 -179.702 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.543 ' O ' ' CG2' ' B' ' 8' ' ' VAL . 6.0 tm-20 -54.48 -30.97 54.84 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.19 -0.944 . . . . 0.0 110.188 -179.325 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.424 ' HB2' ' O ' ' B' ' 1' ' ' SER . 3.2 mttt -81.0 -49.54 10.8 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.762 -1.212 . . . . 0.0 110.26 -179.53 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' A' ' 6' ' ' ALA . . . -71.72 -63.26 1.16 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.135 -0.978 . . . . 0.0 110.342 -179.235 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' MET . . . . . 0.55 ' HG2' ' CD1' ' A' ' 40' ' ' LEU . 7.3 tpt -48.13 -53.76 15.58 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.378 -0.826 . . . . 0.0 109.88 -179.427 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . 0.543 ' CG2' ' O ' ' B' ' 4' ' ' GLU . 18.1 t -64.68 -28.74 45.53 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.567 0 O-C-N 121.322 -0.861 . . . . 0.0 109.563 -179.405 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . 0.424 ' HB1' ' HB3' ' A' ' 6' ' ' ALA . . . -66.45 -33.07 74.88 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.137 -0.977 . . . . 0.0 108.927 179.445 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.498 ' CD1' ' CE ' ' B' ' 74' ' ' MET . 0.4 OUTLIER -60.69 -50.22 74.36 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 179.502 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.563 HG21 ' CE1' ' A' ' 88' ' ' PHE . 10.3 mt -50.15 -27.76 4.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.055 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -66.94 -48.08 69.69 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.658 -0.651 . . . . 0.0 109.362 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . 0.544 ' CG2' ' HB3' ' A' ' 2' ' ' GLU . 47.7 t -47.2 -45.17 8.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.397 -0.814 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.402 ' CE1' ' HD1' ' B' ' 70' ' ' PHE . 1.2 t80 -55.3 -54.46 43.25 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.203 -0.936 . . . . 0.0 109.499 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -59.48 -21.14 59.69 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.151 -0.968 . . . . 0.0 108.997 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -79.77 -29.88 40.56 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.476 -0.765 . . . . 0.0 109.436 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.408 ' O ' ' C ' ' B' ' 18' ' ' SER . 73.2 m-85 -106.63 -80.23 0.56 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.313 -0.867 . . . . 0.0 109.584 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.408 ' C ' ' O ' ' B' ' 17' ' ' TYR . 0.2 OUTLIER -43.84 -32.73 1.14 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.376 -0.827 . . . . 0.0 109.684 -179.864 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.53 46.45 3.18 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.96 -1.256 . . . . 0.0 109.96 -179.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.453 ' CD ' ' O ' ' B' ' 20' ' ' ARG . 0.0 OUTLIER -154.01 19.99 0.51 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.162 -1.199 . . . . 0.0 109.589 179.67 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -137.58 -69.48 0.45 Allowed 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.275 -0.89 . . . . 0.0 109.526 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -157.65 -90.95 0.08 OUTLIER Glycine 0 N--CA 1.489 2.177 0 N-CA-C 109.678 -1.369 . . . . 0.0 109.678 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -53.68 169.04 0.15 Allowed 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.204 -1.174 . . . . 0.0 109.377 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.06 40.21 3.23 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.248 -0.907 . . . . 0.0 109.582 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 -165.52 23.39 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.238 -0.914 . . . . 0.0 109.735 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.413 ' O ' ' HG3' ' B' ' 26' ' ' LYS . 14.1 ptpt -150.57 151.53 32.73 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.093 -1.004 . . . . 0.0 109.662 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.71 -154.24 0.51 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.33 -0.856 . . . . 0.0 109.262 179.598 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' B' ' 66' ' ' GLY . 3.9 mtmt -143.29 131.08 21.44 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.317 -0.864 . . . . 0.0 109.132 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.531 ' O ' ' CD2' ' B' ' 60' ' ' LEU . 0.6 OUTLIER -49.71 -27.19 4.47 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.157 -0.964 . . . . 0.0 109.499 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.473 ' OG ' ' O ' ' B' ' 64' ' ' GLY . 0.3 OUTLIER -68.31 -42.74 78.98 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.2 -0.937 . . . . 0.0 109.588 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -74.09 -23.12 59.29 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 179.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.492 ' O ' HG13 ' B' ' 36' ' ' ILE . 8.2 tp -74.57 -34.44 62.9 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 178.723 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.472 ' HB2' HD23 ' B' ' 60' ' ' LEU . 54.8 tttt -60.57 -46.35 90.53 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 178.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.556 ' O ' ' CB ' ' B' ' 38' ' ' ASN . 0.0 OUTLIER -71.79 -30.31 65.4 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.181 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.546 ' N ' ' HG3' ' B' ' 34' ' ' GLU . 0.2 OUTLIER -56.8 -40.62 76.28 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 179.27 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.492 HG13 ' O ' ' B' ' 32' ' ' LEU . 0.4 OUTLIER -81.72 -61.22 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.314 -0.867 . . . . 0.0 110.372 179.877 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -66.14 -3.33 5.38 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.472 -0.767 . . . . 0.0 111.516 -178.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.556 ' CB ' ' O ' ' B' ' 34' ' ' GLU . 4.6 t30 -118.21 -75.66 0.58 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.713 -1.242 . . . . 0.0 109.623 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.474 ' HG3' HD12 ' B' ' 35' ' ' LEU . 6.5 mm-40 -47.91 -59.66 3.18 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.874 -1.141 . . . . 0.0 108.768 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.536 ' CD1' ' HG2' ' A' ' 7' ' ' MET . 10.0 mt -70.13 -99.02 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.194 -0.941 . . . . 0.0 108.621 179.336 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 2.4 t 68.05 2.43 3.17 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.077 -1.014 . . . . 0.0 110.534 179.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . 0.495 ' HB3' ' CE1' ' B' ' 43' ' ' PHE . 2.6 t-80 -62.23 -18.13 60.27 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.781 -1.199 . . . . 0.0 108.723 179.675 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . 0.527 ' O ' ' CB ' ' B' ' 44' ' ' LEU . 1.3 m-85 -128.2 -141.49 0.26 Allowed 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.527 ' CB ' ' O ' ' B' ' 43' ' ' PHE . 0.1 OUTLIER 77.39 49.66 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.047 -1.033 . . . . 0.0 109.937 179.589 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.538 ' N ' ' OE1' ' B' ' 45' ' ' GLU . 0.0 OUTLIER -107.03 -60.68 1.65 Allowed 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 106.961 -1.496 . . . . 0.0 106.961 178.716 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.498 ' O ' ' HB ' ' B' ' 47' ' ' ILE . 2.3 mt-10 -113.14 27.62 9.46 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 177.399 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.498 ' HB ' ' O ' ' B' ' 46' ' ' GLU . 1.0 OUTLIER 66.75 143.69 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 -179.037 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.502 ' O ' ' HB3' ' B' ' 85' ' ' HIS . 4.1 mttt -77.46 -74.16 0.27 Allowed 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.358 -0.839 . . . . 0.0 109.309 -179.159 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.567 ' HB2' ' CB ' ' B' ' 83' ' ' ALA . 0.0 OUTLIER -122.49 106.9 11.44 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.906 -1.121 . . . . 0.0 108.861 179.252 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . 0.526 ' O ' ' HB2' ' B' ' 54' ' ' ASP . 4.3 tm0? -46.64 -32.78 3.73 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 120.953 -1.092 . . . . 0.0 109.019 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.46 ' HB2' ' OE2' ' B' ' 49' ' ' GLU . 0.1 OUTLIER -82.13 -63.86 1.3 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.353 -0.842 . . . . 0.0 110.847 -179.72 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.492 HG22 ' HG3' ' B' ' 49' ' ' GLU . 5.7 t -53.93 -60.31 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 O-C-N 120.792 -1.192 . . . . 0.0 108.825 -179.526 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 49.7 t -54.46 -25.4 14.18 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.603 0 O-C-N 121.681 -0.637 . . . . 0.0 109.99 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . 0.526 ' HB2' ' O ' ' B' ' 50' ' ' GLN . 1.7 m-20 -69.21 -38.83 78.78 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.986 -1.071 . . . . 0.0 109.945 -179.741 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.88 -49.1 61.11 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.134 -0.979 . . . . 0.0 111.275 -178.517 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.536 ' CG1' ' SD ' ' B' ' 79' ' ' MET . 34.2 m -71.82 -45.96 63.09 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.406 0 O-C-N 120.603 -1.311 . . . . 0.0 109.29 -179.372 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.441 ' N ' ' CG2' ' B' ' 56' ' ' VAL . 39.7 tpp -65.16 -24.72 67.47 Favored 'General case' 0 C--N 1.296 -1.759 0 O-C-N 121.52 -0.738 . . . . 0.0 109.292 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . 0.512 ' HB2' ' O ' ' B' ' 54' ' ' ASP . 9.8 mt-10 -75.66 -55.95 5.16 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.093 -1.004 . . . . 0.0 109.274 179.581 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.92 -28.14 67.35 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.121 -0.987 . . . . 0.0 108.383 179.748 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.531 ' CD2' ' O ' ' B' ' 29' ' ' LYS . 12.0 mt -66.65 -55.69 14.08 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 179.697 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.0 -0.54 35.83 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.492 -0.755 . . . . 0.0 109.72 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.486 ' HB2' ' O ' ' B' ' 58' ' ' GLU . 5.5 tt0 -77.46 -39.89 45.06 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.106 -0.996 . . . . 0.0 109.64 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.32 -47.26 0.52 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.277 -0.89 . . . . 0.0 109.786 -179.751 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . 0.473 ' O ' ' OG ' ' B' ' 30' ' ' SER . . . 58.88 14.26 22.62 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.679 -1.369 . . . . 0.0 109.679 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -134.36 10.25 3.77 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.084 -1.245 . . . . 0.0 109.424 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.455 ' O ' ' HG2' ' B' ' 28' ' ' LYS . . . -89.64 157.41 26.48 Favored Glycine 0 N--CA 1.489 2.224 0 N-CA-C 109.801 -1.32 . . . . 0.0 109.801 -179.697 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -89.92 134.41 34.23 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.292 -1.122 . . . . 0.0 109.426 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.83 178.93 4.27 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.277 -0.889 . . . . 0.0 109.406 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -118.2 176.6 5.15 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.273 -0.892 . . . . 0.0 109.305 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.478 ' O ' ' HB2' ' B' ' 74' ' ' MET . 6.8 t80 -70.51 -40.69 73.36 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.293 -0.88 . . . . 0.0 109.221 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . 0.48 ' HG3' ' SG ' ' A' ' 84' ' ' CYS . 0.1 OUTLIER -71.65 -27.5 63.11 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.272 -0.893 . . . . 0.0 109.728 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.67 -61.3 1.92 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.171 -0.956 . . . . 0.0 108.716 179.704 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -53.18 -25.02 12.21 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.403 -0.811 . . . . 0.0 109.126 179.531 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' MET . . . . . 0.498 ' CE ' ' CD1' ' B' ' 10' ' ' LEU . 0.0 OUTLIER -76.38 -57.07 4.08 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.938 -1.101 . . . . 0.0 109.586 -179.819 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.494 ' O ' ' HG2' ' B' ' 79' ' ' MET . . . -64.0 -13.03 43.44 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.284 -0.885 . . . . 0.0 108.949 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.443 ' CD2' HG13 ' B' ' 56' ' ' VAL . 0.9 OUTLIER -81.42 -48.84 11.38 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.397 -0.814 . . . . 0.0 109.571 179.553 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.465 HG11 ' O ' ' B' ' 77' ' ' VAL . 79.2 t -64.8 -26.96 41.37 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.345 -0.847 . . . . 0.0 109.991 -179.612 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.532 ' O ' ' CG2' ' B' ' 82' ' ' THR . 1.4 m -73.35 -54.58 7.99 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.108 -0.995 . . . . 0.0 110.34 -179.276 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' MET . . . . . 0.536 ' SD ' ' CG1' ' B' ' 56' ' ' VAL . 7.8 ptp -52.07 -40.35 61.07 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.042 -1.036 . . . . 0.0 110.66 -178.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . 0.523 ' CG1' HG23 ' B' ' 56' ' ' VAL . 3.3 m -73.63 -40.48 54.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 120.609 -1.307 . . . . 0.0 109.981 -179.742 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.504 ' CG2' ' HG3' ' A' ' 7' ' ' MET . 11.2 m -67.25 -16.28 64.19 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.947 -1.096 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.532 ' CG2' ' O ' ' B' ' 78' ' ' SER . 2.2 t -132.02 26.34 4.59 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.272 -0.892 . . . . 0.0 109.133 179.754 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . 0.567 ' CB ' ' HB2' ' B' ' 49' ' ' GLU . . . -52.33 -20.83 2.98 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.323 -0.861 . . . . 0.0 109.344 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . 0.539 ' CB ' ' O ' ' B' ' 83' ' ' ALA . 10.3 m 81.95 -167.53 0.02 OUTLIER 'General case' 0 N--CA 1.499 2.002 0 CA-C-O 121.625 0.726 . . . . 0.0 111.03 179.023 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.525 ' CB ' ' O ' ' B' ' 84' ' ' CYS . 1.1 t-80 80.85 79.68 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.737 -0.602 . . . . 0.0 109.432 -179.615 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 60.21 103.04 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.235 -0.916 . . . . 0.0 109.409 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . 0.646 ' CE2' ' CD1' ' B' ' 88' ' ' PHE . 0.5 OUTLIER -161.52 -159.96 0.67 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.238 -0.914 . . . . 0.0 109.206 179.899 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.646 ' CD1' ' CE2' ' B' ' 87' ' ' PHE . 4.2 m-30 48.42 32.54 3.35 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.209 -0.932 . . . . 0.0 109.979 179.595 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.452 ' O ' ' CD2' ' B' ' 90' ' ' HIS . 0.3 OUTLIER -126.21 -37.74 2.2 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.149 -0.969 . . . . 0.0 109.219 179.621 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . 0.579 ' CG ' ' O ' ' B' ' 90' ' ' HIS . 0.0 OUTLIER 57.71 14.89 2.63 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.373 -0.83 . . . . 0.0 109.718 179.682 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 . . . . . 0 C--N 1.305 -1.369 0 O-C-N 121.04 -1.038 . . . . 0.0 109.586 -179.941 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 10.8 ttm . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.534 ' CB ' ' HG2' ' B' ' 39' ' ' GLU . 1.3 p -114.78 174.03 6.17 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.287 -0.883 . . . . 0.0 109.593 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.547 ' HB3' ' CG2' ' B' ' 13' ' ' VAL . 0.3 OUTLIER -80.13 -30.77 39.07 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.179 -0.951 . . . . 0.0 110.312 -179.404 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.526 ' CD2' HD11 ' B' ' 35' ' ' LEU . 15.9 tp -80.35 -53.23 6.81 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.126 -0.984 . . . . 0.0 110.301 -179.199 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.541 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 2.0 tt0 -53.82 -51.36 63.8 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 120.987 -1.07 . . . . 0.0 109.991 -179.019 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.472 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 5.6 mmpt? -64.27 -34.34 77.89 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.987 -1.07 . . . . 0.0 110.446 -179.254 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.486 ' HB1' ' HB2' ' B' ' 9' ' ' ALA . . . -80.02 -72.75 0.39 Allowed 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.028 -1.045 . . . . 0.0 110.21 -179.263 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.53 ' HE1' ' CG1' ' B' ' 77' ' ' VAL . 12.3 tpp -43.61 -49.59 7.58 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.411 -0.805 . . . . 0.0 109.868 -179.551 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.541 ' CG2' ' O ' ' A' ' 4' ' ' GLU . 13.5 t -67.05 -34.58 70.71 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.641 0 O-C-N 121.449 -0.782 . . . . 0.0 109.911 -179.051 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 5' ' ' LYS . . . -57.86 -41.07 81.67 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.013 -1.054 . . . . 0.0 108.871 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.507 ' CD1' ' HA ' ' B' ' 7' ' ' MET . 0.1 OUTLIER -56.74 -53.27 59.68 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.279 -0.888 . . . . 0.0 108.779 179.317 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.517 HG21 ' CE1' ' B' ' 87' ' ' PHE . 2.6 mp -50.01 -28.94 4.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.339 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -63.7 -49.66 72.23 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.506 -0.746 . . . . 0.0 109.054 179.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.537 ' CG2' ' HB3' ' B' ' 2' ' ' GLU . 71.3 t -49.87 -37.47 12.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.368 -0.832 . . . . 0.0 109.102 179.747 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.449 ' CE1' ' CB ' ' A' ' 18' ' ' SER . 2.4 t80 -60.39 -41.64 94.26 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.386 -0.822 . . . . 0.0 109.707 -179.803 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -70.05 -19.07 63.31 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.128 -0.982 . . . . 0.0 109.411 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -79.19 -54.38 6.04 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.344 -0.847 . . . . 0.0 109.609 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.477 ' CZ ' HD23 ' A' ' 35' ' ' LEU . 57.7 m-85 -79.52 -54.96 5.39 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.256 -0.902 . . . . 0.0 109.419 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 24' ' ' LYS . 0.8 OUTLIER -84.87 63.75 8.23 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.362 -0.836 . . . . 0.0 109.439 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -167.89 -41.7 0.03 OUTLIER Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.39 -1.484 . . . . 0.0 109.39 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.2 ptt180 -94.38 -14.47 25.28 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.266 -1.138 . . . . 0.0 109.371 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -93.04 -159.7 0.7 Allowed 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.306 -0.871 . . . . 0.0 109.452 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.51 -61.43 4.45 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.766 -1.334 . . . . 0.0 109.766 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -57.7 -168.55 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.392 -1.064 . . . . 0.0 109.621 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.495 ' O ' ' CB ' ' A' ' 18' ' ' SER . 24.5 tttp -162.41 -74.71 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.25 -0.906 . . . . 0.0 109.283 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.546 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -88.02 6.87 33.92 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.086 -1.009 . . . . 0.0 109.213 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt -132.16 131.91 42.69 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.246 -0.909 . . . . 0.0 109.217 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.476 ' CD2' ' HB3' ' A' ' 31' ' ' GLU . 0.4 OUTLIER -94.98 -155.7 0.48 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.199 -0.938 . . . . 0.0 109.484 -179.882 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.416 ' HG2' ' O ' ' A' ' 66' ' ' GLY . 11.2 mtpt -149.64 164.09 36.13 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.292 -0.88 . . . . 0.0 109.208 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.518 ' O ' ' CD2' ' A' ' 60' ' ' LEU . 6.6 mtpp -75.66 -26.5 57.72 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.109 -0.995 . . . . 0.0 109.393 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.453 ' HB2' ' O ' ' A' ' 64' ' ' GLY . 44.6 t -80.04 -35.46 37.17 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.281 -0.887 . . . . 0.0 109.332 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.48 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 7.2 tt0 -85.48 -19.02 31.87 Favored 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.061 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.515 ' O ' HG13 ' A' ' 36' ' ' ILE . 13.3 tp -80.38 -38.92 29.42 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 178.295 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.433 ' HA ' HD12 ' A' ' 60' ' ' LEU . 1.7 tttt -59.44 -38.25 80.21 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 179.017 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.501 ' HG3' ' N ' ' A' ' 35' ' ' LEU . 9.8 pt-20 -77.91 -40.5 39.55 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 179.714 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.501 ' N ' ' HG3' ' A' ' 34' ' ' GLU . 0.1 OUTLIER -50.67 -45.78 58.28 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-O 121.299 0.571 . . . . 0.0 109.487 179.696 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.53 ' CG2' HD23 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -80.65 -53.14 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.233 -0.917 . . . . 0.0 110.161 -179.767 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -65.75 -2.05 3.35 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.384 -0.822 . . . . 0.0 111.29 -178.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' A' ' 34' ' ' GLU . 32.3 t30 -109.0 -56.79 2.23 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.749 -1.22 . . . . 0.0 109.924 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.539 ' HG2' ' CB ' ' B' ' 1' ' ' SER . 1.8 mt-10 -105.06 27.29 8.33 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.279 -0.888 . . . . 0.0 110.012 -179.683 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.53 HD23 ' CG2' ' A' ' 36' ' ' ILE . 0.4 OUTLIER -148.11 -30.97 0.29 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.142 -0.974 . . . . 0.0 110.379 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.19 -10.05 2.57 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.014 -1.054 . . . . 0.0 110.382 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 8.9 t-80 -60.1 -22.7 63.09 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.833 -1.167 . . . . 0.0 109.228 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.489 ' CE2' HG23 ' B' ' 8' ' ' VAL . 92.7 m-85 -95.73 -13.96 23.75 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.281 -0.887 . . . . 0.0 109.68 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.463 ' HA ' ' SG ' ' A' ' 84' ' ' CYS . 2.3 mm? -64.67 131.46 46.99 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.184 -0.948 . . . . 0.0 109.515 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.47 ' HG2' ' O ' ' A' ' 43' ' ' PHE . 0.4 OUTLIER -179.68 -36.05 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.258 -0.901 . . . . 0.0 109.59 179.921 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.441 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 0.9 OUTLIER -121.1 -46.09 2.33 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.239 -0.913 . . . . 0.0 109.758 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.513 ' CG1' ' SG ' ' A' ' 84' ' ' CYS . 8.7 mt 68.4 124.28 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.185 -0.947 . . . . 0.0 109.817 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -108.7 -41.12 4.87 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.304 -0.873 . . . . 0.0 109.177 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.466 ' HB3' ' HB ' ' A' ' 52' ' ' VAL . 2.2 mm-40 -99.86 87.49 3.53 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.339 -0.85 . . . . 0.0 109.149 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.534 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 5.8 tp60 -59.97 -24.02 64.07 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.259 -0.9 . . . . 0.0 109.791 -179.626 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.452 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 25.5 mt-10 -80.22 -35.29 36.39 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.107 -0.996 . . . . 0.0 109.954 -179.782 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.507 ' HB ' ' HB3' ' A' ' 83' ' ' ALA . 69.8 t -68.39 -53.61 27.23 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.164 -0.96 . . . . 0.0 109.521 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 48.5 t -69.7 -30.71 45.87 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.249 -0.907 . . . . 0.0 109.564 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.534 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 16.2 t0 -76.74 -22.04 54.39 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.198 -0.939 . . . . 0.0 108.964 179.659 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.452 ' HB2' ' O ' ' A' ' 51' ' ' GLU . 5.2 mtpt -80.75 -49.97 10.47 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.242 -0.911 . . . . 0.0 109.618 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.53 HG23 ' CG1' ' A' ' 80' ' ' VAL . 33.7 m -69.62 -46.46 75.24 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.307 0 O-C-N 121.064 -1.022 . . . . 0.0 108.942 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.3 tpp -63.3 -24.13 67.73 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.522 ' CG ' ' O ' ' A' ' 54' ' ' ASP . 7.9 mt-10 -74.38 -57.24 4.07 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.423 -0.798 . . . . 0.0 109.299 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.432 ' O ' ' HE2' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -60.79 -24.01 65.47 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 179.512 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.518 ' CD2' ' O ' ' A' ' 29' ' ' LYS . 11.3 mt -70.29 -53.62 16.08 Favored 'General case' 0 C--N 1.302 -1.468 0 CA-C-O 121.427 0.632 . . . . 0.0 109.555 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -75.61 -10.3 59.32 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.504 -0.747 . . . . 0.0 109.87 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.04 -52.85 12.8 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.12 -0.987 . . . . 0.0 109.852 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.482 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 3.4 t70 -139.61 54.58 1.68 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.304 -0.873 . . . . 0.0 109.562 -179.676 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.453 ' O ' ' HB2' ' A' ' 30' ' ' SER . . . -40.34 -28.06 0.17 Allowed Glycine 0 N--CA 1.493 2.444 0 N-CA-C 110.017 -1.233 . . . . 0.0 110.017 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 63' ' ' ASP . 20.6 t70 -89.56 39.88 0.97 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.135 -1.215 . . . . 0.0 109.454 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.416 ' O ' ' HG2' ' A' ' 28' ' ' LYS . . . -109.37 -171.04 20.56 Favored Glycine 0 N--CA 1.488 2.109 0 N-CA-C 109.741 -1.344 . . . . 0.0 109.741 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' A' ' 67' ' ' GLU . 7.6 pt-20 -124.45 137.19 54.46 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.316 -1.108 . . . . 0.0 109.59 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 95.4 m -107.92 172.45 6.82 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.33 -0.856 . . . . 0.0 109.143 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -111.16 -175.41 2.7 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.188 -0.945 . . . . 0.0 109.505 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.505 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 9.1 p90 -77.03 -39.99 48.09 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.342 -0.849 . . . . 0.0 109.565 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.505 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -79.91 -26.5 40.15 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.127 -0.983 . . . . 0.0 109.515 -179.895 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.504 ' N ' ' HG3' ' A' ' 71' ' ' GLN . 1.6 mt-10 -76.66 -54.79 6.18 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.259 -0.901 . . . . 0.0 109.163 179.608 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.483 ' CE1' HD11 ' A' ' 32' ' ' LEU . 15.8 t80 -58.3 -17.87 22.93 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 179.234 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.614 ' HA ' ' CE ' ' A' ' 74' ' ' MET . 0.2 OUTLIER -79.95 -63.82 1.33 Allowed 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.507 -0.746 . . . . 0.0 109.337 179.62 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.461 ' O ' ' HG3' ' A' ' 79' ' ' MET . . . -62.28 -13.01 23.92 Favored 'General case' 0 C--N 1.295 -1.767 0 C-N-CA 119.431 -0.908 . . . . 0.0 109.409 -179.559 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.473 ' CE1' HG11 ' A' ' 56' ' ' VAL . 0.3 OUTLIER -79.17 -44.73 21.33 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.289 -0.882 . . . . 0.0 108.875 179.574 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.499 ' CG1' ' HE1' ' B' ' 7' ' ' MET . 74.5 t -70.2 -27.58 32.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.542 -0.724 . . . . 0.0 109.357 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.471 ' HA ' ' HE2' ' B' ' 7' ' ' MET . 45.3 m -78.74 -51.64 9.51 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.4 -0.813 . . . . 0.0 109.965 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.461 ' HG3' ' O ' ' A' ' 75' ' ' ALA . 1.1 mmm -46.05 -39.32 9.05 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.193 -0.942 . . . . 0.0 110.073 -179.705 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.53 ' CG1' HG23 ' A' ' 56' ' ' VAL . 35.5 m -76.86 -48.45 25.68 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.181 -0.95 . . . . 0.0 110.347 -179.251 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.512 ' O ' ' CB ' ' A' ' 85' ' ' HIS . 0.4 OUTLIER -64.28 -10.78 26.07 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.026 -1.046 . . . . 0.0 109.619 -179.75 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.456 ' OG1' ' O ' ' A' ' 78' ' ' SER . 0.9 OUTLIER -99.54 -37.14 9.29 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.206 -0.934 . . . . 0.0 109.0 179.709 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.507 ' HB3' ' HB ' ' A' ' 52' ' ' VAL . . . -74.92 -76.14 0.15 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.439 -0.788 . . . . 0.0 109.394 179.789 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.513 ' SG ' ' CG1' ' A' ' 47' ' ' ILE . 33.9 t -96.41 88.01 4.61 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.228 -0.92 . . . . 0.0 109.306 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.528 ' CG ' ' N ' ' A' ' 86' ' ' GLU . 77.6 t60 -156.18 163.13 39.97 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.155 -0.966 . . . . 0.0 109.711 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.541 ' HG3' ' CB ' ' A' ' 89' ' ' GLU . 1.0 OUTLIER -85.63 46.38 1.3 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.326 -0.859 . . . . 0.0 109.059 179.721 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.693 ' CD1' ' CZ ' ' A' ' 88' ' ' PHE . 0.3 OUTLIER -54.4 -40.92 68.69 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.349 -0.844 . . . . 0.0 109.975 -179.609 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.693 ' CZ ' ' CD1' ' A' ' 87' ' ' PHE . 4.7 m-85 -143.91 43.08 1.45 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.001 -1.062 . . . . 0.0 110.125 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.541 ' CB ' ' HG3' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -112.54 -39.33 4.38 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.03 -1.044 . . . . 0.0 109.302 179.553 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.452 ' O ' ' CB ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -171.9 39.88 0.02 OUTLIER 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.409 -0.807 . . . . 0.0 109.37 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.452 ' CB ' ' O ' ' A' ' 90' ' ' HIS . 1.9 tt0 . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 117.953 -1.022 . . . . 0.0 109.494 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 10.8 ttm . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.539 ' CB ' ' HG2' ' A' ' 39' ' ' GLU . 1.3 p -114.83 174.05 6.17 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.221 -0.924 . . . . 0.0 109.656 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.537 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -80.11 -30.83 39.16 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.141 -0.974 . . . . 0.0 110.407 -179.432 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.532 ' HB3' ' CB ' ' A' ' 39' ' ' GLU . 15.8 tp -80.33 -53.2 6.85 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.173 -0.955 . . . . 0.0 110.336 -179.268 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.536 ' O ' ' CG2' ' B' ' 8' ' ' VAL . 2.0 tt0 -53.85 -51.37 63.8 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 121.033 -1.042 . . . . 0.0 109.988 -179.038 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.469 ' O ' ' HB3' ' B' ' 9' ' ' ALA . 5.6 mmpt? -64.2 -34.33 77.84 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.017 -1.052 . . . . 0.0 110.448 -179.249 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . 0.474 ' HB3' ' N ' ' A' ' 10' ' ' LEU . . . -80.12 -72.65 0.4 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.071 -1.018 . . . . 0.0 110.253 -179.217 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' MET . . . . . 0.507 ' HA ' ' CD1' ' A' ' 10' ' ' LEU . 12.6 tpp -43.63 -49.54 7.64 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.428 -0.795 . . . . 0.0 109.927 -179.605 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . 0.536 ' CG2' ' O ' ' B' ' 4' ' ' GLU . 13.5 t -67.08 -34.51 70.18 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 O-C-N 121.383 -0.823 . . . . 0.0 109.955 -179.064 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . 0.486 ' HB2' ' HB1' ' A' ' 6' ' ' ALA . . . -57.9 -41.01 81.69 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.097 -1.002 . . . . 0.0 108.905 179.499 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.525 ' CD1' ' HA ' ' A' ' 7' ' ' MET . 0.1 OUTLIER -56.8 -53.24 60.16 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.284 -0.885 . . . . 0.0 108.748 179.34 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.578 HG21 ' CE1' ' A' ' 87' ' ' PHE . 2.6 mp -49.97 -29.02 4.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.154 -0.966 . . . . 0.0 108.409 179.284 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -63.63 -49.68 72.35 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.456 -0.778 . . . . 0.0 109.096 179.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . 0.547 ' CG2' ' HB3' ' A' ' 2' ' ' GLU . 71.0 t -49.71 -37.57 12.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.351 -0.843 . . . . 0.0 109.167 179.69 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.441 ' CD1' ' HB3' ' B' ' 18' ' ' SER . 2.4 t80 -60.49 -41.55 94.49 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.384 -0.823 . . . . 0.0 109.724 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -70.0 -19.05 63.35 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.175 -0.953 . . . . 0.0 109.462 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -79.2 -54.45 5.97 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.37 -0.831 . . . . 0.0 109.583 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.463 ' CZ ' HD23 ' B' ' 35' ' ' LEU . 58.0 m-85 -79.43 -54.99 5.39 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.193 -0.942 . . . . 0.0 109.422 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' B' ' 24' ' ' LYS . 0.8 OUTLIER -84.84 63.71 8.19 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.41 -0.806 . . . . 0.0 109.384 -179.914 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -167.87 -41.7 0.03 OUTLIER Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.395 -1.482 . . . . 0.0 109.395 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 24.2 ptt180 -94.4 -14.48 25.22 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.319 -1.106 . . . . 0.0 109.285 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -93.04 -159.63 0.69 Allowed 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.356 -0.84 . . . . 0.0 109.404 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.55 -61.48 4.41 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.711 -1.355 . . . . 0.0 109.711 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -57.68 -168.53 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.505 -0.997 . . . . 0.0 109.662 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.5 ' O ' ' CB ' ' B' ' 18' ' ' SER . 24.6 tttp -162.39 -74.7 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.257 -0.902 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . 0.545 ' CG ' ' O ' ' B' ' 25' ' ' HIS . 0.0 OUTLIER -88.05 6.88 34.04 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.132 -0.98 . . . . 0.0 109.217 179.857 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt -132.07 131.91 42.85 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.184 -0.948 . . . . 0.0 109.249 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.484 ' CD2' ' HB3' ' B' ' 31' ' ' GLU . 0.4 OUTLIER -95.05 -155.65 0.48 Allowed 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.086 -1.009 . . . . 0.0 109.481 -179.911 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.402 ' HG2' ' O ' ' B' ' 66' ' ' GLY . 11.2 mtpt -149.7 164.05 36.26 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.298 -0.876 . . . . 0.0 109.218 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.52 ' O ' ' CD2' ' B' ' 60' ' ' LEU . 6.6 mtpp -75.66 -26.52 57.76 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.154 -0.966 . . . . 0.0 109.348 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.462 ' HB2' ' O ' ' B' ' 64' ' ' GLY . 44.5 t -80.0 -35.55 37.23 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.368 -0.832 . . . . 0.0 109.294 179.728 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.488 ' O ' ' HG2' ' B' ' 34' ' ' GLU . 7.3 tt0 -85.45 -19.08 31.83 Favored 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 179.144 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.523 ' O ' HG13 ' B' ' 36' ' ' ILE . 13.3 tp -80.49 -38.84 29.09 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 178.337 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.434 ' HA ' HD12 ' B' ' 60' ' ' LEU . 1.7 tttt -59.43 -38.25 80.18 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 179.025 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.521 ' HG3' ' N ' ' B' ' 35' ' ' LEU . 9.9 pt-20 -77.97 -40.56 38.93 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 179.783 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.526 HD11 ' CD2' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -50.66 -45.78 58.18 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.641 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.533 ' CG2' HD23 ' B' ' 40' ' ' LEU . 0.4 OUTLIER -80.68 -53.24 12.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.239 -0.913 . . . . 0.0 110.056 -179.757 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -65.62 -2.19 3.31 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.424 -0.797 . . . . 0.0 111.271 -178.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.419 ' HB2' ' O ' ' B' ' 34' ' ' GLU . 32.4 t30 -108.97 -56.85 2.22 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.796 -1.19 . . . . 0.0 109.887 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.534 ' HG2' ' CB ' ' A' ' 1' ' ' SER . 1.8 mt-10 -104.97 27.19 8.38 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.164 -0.96 . . . . 0.0 110.012 -179.617 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.533 HD23 ' CG2' ' B' ' 36' ' ' ILE . 0.4 OUTLIER -148.15 -30.93 0.29 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.15 -0.969 . . . . 0.0 110.385 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.12 -10.1 2.5 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.058 -1.026 . . . . 0.0 110.444 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -60.01 -22.72 62.96 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.894 -1.129 . . . . 0.0 109.367 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . 0.497 ' CE2' HG23 ' A' ' 8' ' ' VAL . 92.5 m-85 -95.71 -13.83 23.89 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.235 -0.916 . . . . 0.0 109.733 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.478 ' HA ' ' SG ' ' B' ' 84' ' ' CYS . 2.3 mm? -64.67 131.52 47.14 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.238 -0.914 . . . . 0.0 109.523 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.476 ' HG2' ' O ' ' B' ' 43' ' ' PHE . 0.4 OUTLIER -179.71 -36.13 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.187 -0.946 . . . . 0.0 109.637 179.942 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.435 ' O ' ' HB ' ' B' ' 47' ' ' ILE . 0.9 OUTLIER -121.03 -46.09 2.34 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.217 -0.927 . . . . 0.0 109.764 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.508 ' CG1' ' SG ' ' B' ' 84' ' ' CYS . 8.7 mt 68.37 124.2 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.18 -0.95 . . . . 0.0 109.848 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -108.65 -41.23 4.85 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.317 -0.864 . . . . 0.0 109.103 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.476 ' HB3' ' HB ' ' B' ' 52' ' ' VAL . 2.2 mm-40 -99.68 87.51 3.58 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.291 -0.88 . . . . 0.0 109.212 179.742 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . 0.526 ' O ' ' CB ' ' B' ' 54' ' ' ASP . 5.9 tp60 -59.93 -24.07 64.05 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.334 -0.854 . . . . 0.0 109.809 -179.673 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.451 ' O ' ' HB2' ' B' ' 55' ' ' LYS . 25.4 mt-10 -80.16 -35.38 36.6 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.188 -0.945 . . . . 0.0 109.882 -179.738 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.503 ' HB ' ' HB3' ' B' ' 83' ' ' ALA . 70.1 t -68.35 -53.56 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.126 -0.984 . . . . 0.0 109.508 -179.816 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 48.0 t -69.81 -30.73 45.7 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 121.277 -0.889 . . . . 0.0 109.47 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . 0.526 ' CB ' ' O ' ' B' ' 50' ' ' GLN . 16.3 t0 -76.68 -22.02 54.56 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.142 -0.974 . . . . 0.0 109.037 179.623 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.451 ' HB2' ' O ' ' B' ' 51' ' ' GLU . 5.2 mtpt -80.75 -50.01 10.42 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.417 -0.802 . . . . 0.0 109.675 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.525 HG23 ' CG1' ' B' ' 80' ' ' VAL . 33.3 m -69.6 -46.47 75.34 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.357 0 O-C-N 121.117 -0.989 . . . . 0.0 108.882 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.407 ' N ' ' CG2' ' B' ' 56' ' ' VAL . 23.3 tpp -63.37 -24.08 67.69 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.779 -0.822 . . . . 0.0 108.779 179.211 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . 0.521 ' CG ' ' O ' ' B' ' 54' ' ' ASP . 7.8 mt-10 -74.32 -57.12 4.15 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.327 -0.858 . . . . 0.0 109.322 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' THR . . . . . 0.434 ' O ' ' HE2' ' B' ' 29' ' ' LYS . 0.2 OUTLIER -60.94 -23.93 65.67 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.108 -0.995 . . . . 0.0 108.492 179.525 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.52 ' CD2' ' O ' ' B' ' 29' ' ' LYS . 11.3 mt -70.18 -53.8 15.61 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-O 121.384 0.611 . . . . 0.0 109.527 179.708 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -75.45 -10.36 59.38 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.622 -0.674 . . . . 0.0 109.982 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.08 -52.79 12.95 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.243 -0.91 . . . . 0.0 109.849 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.474 ' O ' ' HD3' ' B' ' 29' ' ' LYS . 3.3 t70 -139.57 54.49 1.68 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.334 -0.854 . . . . 0.0 109.648 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . 0.462 ' O ' ' HB2' ' B' ' 30' ' ' SER . . . -40.32 -28.04 0.17 Allowed Glycine 0 N--CA 1.493 2.449 0 N-CA-C 110.066 -1.213 . . . . 0.0 110.066 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' B' ' 63' ' ' ASP . 20.7 t70 -89.54 39.9 0.97 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.166 -1.197 . . . . 0.0 109.417 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.402 ' O ' ' HG2' ' B' ' 28' ' ' LYS . . . -109.38 -171.04 20.55 Favored Glycine 0 N--CA 1.487 2.073 0 N-CA-C 109.741 -1.343 . . . . 0.0 109.741 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.46 ' HG3' ' O ' ' B' ' 67' ' ' GLU . 7.6 pt-20 -124.42 137.26 54.46 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.218 -1.166 . . . . 0.0 109.556 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 95.3 m -107.98 172.38 6.87 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.242 -0.911 . . . . 0.0 109.144 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -111.04 -175.32 2.68 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.219 -0.925 . . . . 0.0 109.61 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.513 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 9.0 p90 -77.15 -39.85 47.66 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.308 -0.87 . . . . 0.0 109.56 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . 0.513 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -80.05 -26.44 39.72 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.2 -0.937 . . . . 0.0 109.52 -179.907 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.51 ' N ' ' HG3' ' B' ' 71' ' ' GLN . 1.6 mt-10 -76.69 -54.8 6.16 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.169 -0.957 . . . . 0.0 109.081 179.654 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.478 ' CE1' HD11 ' B' ' 32' ' ' LEU . 16.0 t80 -58.26 -17.96 23.13 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 179.184 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' MET . . . . . 0.608 ' HA ' ' CE ' ' B' ' 74' ' ' MET . 0.2 OUTLIER -79.79 -63.87 1.32 Allowed 'General case' 0 N--CA 1.486 1.366 0 O-C-N 121.42 -0.8 . . . . 0.0 109.304 179.61 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.464 ' O ' ' HG3' ' B' ' 79' ' ' MET . . . -62.48 -12.89 24.78 Favored 'General case' 0 C--N 1.296 -1.744 0 C-N-CA 119.444 -0.903 . . . . 0.0 109.37 -179.403 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.468 ' CE1' HG11 ' B' ' 56' ' ' VAL . 0.3 OUTLIER -79.15 -44.81 21.22 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.324 -0.86 . . . . 0.0 108.763 179.548 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.53 ' CG1' ' HE1' ' A' ' 7' ' ' MET . 75.0 t -70.12 -27.65 33.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.564 -0.71 . . . . 0.0 109.36 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.462 ' O ' ' OG1' ' B' ' 82' ' ' THR . 44.4 m -78.75 -51.53 9.66 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.305 -0.872 . . . . 0.0 109.987 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' MET . . . . . 0.464 ' HG3' ' O ' ' B' ' 75' ' ' ALA . 1.1 mmm -46.2 -39.22 9.42 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.291 -0.881 . . . . 0.0 110.049 -179.724 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . 0.531 HG23 ' CG2' ' B' ' 36' ' ' ILE . 35.4 m -76.82 -48.5 25.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 121.205 -0.934 . . . . 0.0 110.319 -179.326 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.512 ' O ' ' CB ' ' B' ' 85' ' ' HIS . 0.4 OUTLIER -64.3 -10.75 26.02 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.117 -0.99 . . . . 0.0 109.622 -179.666 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.462 ' OG1' ' O ' ' B' ' 78' ' ' SER . 0.9 OUTLIER -99.56 -37.21 9.26 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.145 -0.972 . . . . 0.0 109.006 179.684 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . 0.503 ' HB3' ' HB ' ' B' ' 52' ' ' VAL . . . -74.85 -76.13 0.15 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.272 -0.892 . . . . 0.0 109.426 179.783 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . 0.508 ' SG ' ' CG1' ' B' ' 47' ' ' ILE . 33.9 t -96.36 88.02 4.63 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.227 -0.92 . . . . 0.0 109.312 179.765 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.525 ' CG ' ' N ' ' B' ' 86' ' ' GLU . 77.6 t60 -156.27 163.08 39.97 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.16 -0.962 . . . . 0.0 109.736 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . 0.54 ' HG3' ' CB ' ' B' ' 89' ' ' GLU . 1.0 OUTLIER -85.74 46.49 1.32 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.408 -0.808 . . . . 0.0 109.074 179.789 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . 0.702 ' CD1' ' CZ ' ' B' ' 88' ' ' PHE . 0.3 OUTLIER -54.57 -40.79 69.1 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.439 -0.788 . . . . 0.0 109.924 -179.536 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.702 ' CZ ' ' CD1' ' B' ' 87' ' ' PHE . 4.8 m-85 -143.99 43.07 1.45 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.044 -1.035 . . . . 0.0 110.135 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.54 ' CB ' ' HG3' ' B' ' 86' ' ' GLU . 0.4 OUTLIER -112.62 -39.16 4.4 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.047 -1.033 . . . . 0.0 109.247 179.588 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . 0.444 ' O ' ' CB ' ' B' ' 91' ' ' GLU . 0.0 OUTLIER -172.05 40.01 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.441 -0.787 . . . . 0.0 109.356 179.876 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.444 ' CB ' ' O ' ' B' ' 90' ' ' HIS . 1.9 tt0 . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 117.967 -1.016 . . . . 0.0 109.522 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.288 0.566 . . . . 0.0 109.558 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.479 ' OG ' ' HB3' ' A' ' 4' ' ' GLU . 36.5 p -123.53 -177.0 3.59 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.2 -0.938 . . . . 0.0 109.568 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.538 ' HB2' ' CG2' ' B' ' 13' ' ' VAL . 2.4 mm-40 -80.08 -44.14 20.55 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.272 -0.893 . . . . 0.0 109.912 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.5 HD22 ' HG ' ' B' ' 40' ' ' LEU . 6.3 tp -75.75 -47.53 25.56 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.357 -0.839 . . . . 0.0 110.537 -178.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.533 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 4.5 tt0 -64.19 -49.39 72.23 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.952 -1.092 . . . . 0.0 110.514 -179.031 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.71 -36.37 75.85 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.001 -1.062 . . . . 0.0 110.339 -179.166 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.444 ' O ' ' HB1' ' A' ' 9' ' ' ALA . . . -80.37 -67.62 0.75 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.014 -1.054 . . . . 0.0 110.154 -179.415 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.511 ' HE1' ' CG1' ' B' ' 77' ' ' VAL . 4.3 tpt -45.96 -53.48 9.93 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.308 -0.87 . . . . 0.0 109.501 -179.557 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.533 ' CG2' ' O ' ' A' ' 4' ' ' GLU . 21.4 t -62.12 -38.23 80.38 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.555 0 C-N-CA 119.64 -0.824 . . . . 0.0 109.158 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.446 ' HB2' ' HB1' ' B' ' 6' ' ' ALA . . . -53.13 -37.68 62.01 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 179.06 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.507 HD22 ' CD1' ' B' ' 3' ' ' LEU . 0.5 OUTLIER -55.25 -46.79 76.06 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 178.94 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.479 ' CD1' ' N ' ' A' ' 11' ' ' ILE . 1.7 mp -56.24 -33.05 36.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.026 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -60.11 -49.62 76.93 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.523 -0.735 . . . . 0.0 109.293 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.549 ' CG2' ' HB2' ' B' ' 2' ' ' GLU . 69.6 t -49.21 -49.28 17.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.191 -0.943 . . . . 0.0 109.059 179.719 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.551 ' CE1' ' CD2' ' A' ' 73' ' ' PHE . 0.6 OUTLIER -44.67 -59.76 2.33 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.471 -0.768 . . . . 0.0 109.65 -179.904 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 29.6 t-80 -54.55 -34.83 62.48 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.168 -0.958 . . . . 0.0 109.644 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.48 -36.85 83.79 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.309 -0.87 . . . . 0.0 109.783 -179.657 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.581 ' CG ' HD22 ' A' ' 35' ' ' LEU . 73.2 m-85 -102.34 15.7 28.41 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.251 -0.906 . . . . 0.0 109.533 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.62 -7.0 7.43 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.161 -0.962 . . . . 0.0 109.465 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.06 -21.16 68.5 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.481 -1.448 . . . . 0.0 109.481 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -153.76 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.275 -1.132 . . . . 0.0 109.381 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 22' ' ' GLY . 2.9 pm0 -55.82 -98.84 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.186 -0.946 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 21' ' ' GLU . . . 42.63 -120.56 2.53 Favored Glycine 0 N--CA 1.493 2.481 0 N-CA-C 109.712 -1.355 . . . . 0.0 109.712 179.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.462 ' O ' ' HB2' ' A' ' 24' ' ' LYS . 21.9 t70 -141.96 -55.81 0.46 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.275 -1.132 . . . . 0.0 109.252 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.462 ' HB2' ' O ' ' A' ' 23' ' ' ASP . 14.9 ttpt 177.5 -48.86 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.426 -0.797 . . . . 0.0 109.48 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -134.67 26.48 3.69 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.206 -0.934 . . . . 0.0 110.15 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.451 ' HE2' ' HB2' ' A' ' 67' ' ' GLU . 4.9 ptmm? -119.04 129.79 55.3 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.099 -1.001 . . . . 0.0 109.182 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.407 HD21 ' HB2' ' A' ' 32' ' ' LEU . 1.7 tp -94.16 -161.77 0.88 Allowed 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.336 -0.853 . . . . 0.0 109.478 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -139.94 177.5 7.92 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.252 -0.905 . . . . 0.0 109.217 179.777 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.438 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 10.0 mmtp -78.69 -32.39 47.0 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.194 -0.941 . . . . 0.0 109.077 179.727 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.1 t -81.03 -35.2 32.17 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.291 -0.881 . . . . 0.0 109.538 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.474 ' O ' ' HB2' ' A' ' 35' ' ' LEU . 9.3 tt0 -81.75 -25.81 35.05 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 179.694 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.476 ' O ' HG13 ' A' ' 36' ' ' ILE . 22.1 tp -79.82 -40.68 28.03 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 108.633 -0.876 . . . . 0.0 108.633 179.256 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -64.93 -37.13 86.63 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 179.413 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.548 ' HG3' ' N ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -78.01 -31.25 50.46 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.498 -0.926 . . . . 0.0 108.498 179.667 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.581 HD22 ' CG ' ' A' ' 17' ' ' TYR . 0.2 OUTLIER -55.16 -44.62 75.33 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 178.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.479 ' HA ' ' HB2' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -81.33 -61.55 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 O-C-N 121.468 -0.77 . . . . 0.0 109.813 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -54.91 -11.14 0.57 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.243 -0.91 . . . . 0.0 111.563 -178.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.469 ' HB2' ' O ' ' A' ' 34' ' ' GLU . 0.3 OUTLIER -104.08 -58.24 1.91 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.466 -1.396 . . . . 0.0 110.45 -179.368 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.476 ' O ' ' HB3' ' B' ' 3' ' ' LEU . 52.9 mt-10 -111.45 31.58 6.02 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.908 -1.12 . . . . 0.0 110.354 -179.14 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.492 HD22 ' CB ' ' B' ' 7' ' ' MET . 0.2 OUTLIER -153.02 -86.86 0.06 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.98 -1.075 . . . . 0.0 108.851 179.88 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.566 ' O ' ' CG ' ' A' ' 42' ' ' HIS . 2.8 m 63.29 7.01 2.65 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.783 -1.198 . . . . 0.0 110.543 179.155 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.566 ' CG ' ' O ' ' A' ' 41' ' ' SER . 31.4 p80 38.88 27.89 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.25 -0.906 . . . . 0.0 110.087 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.497 ' N ' ' O ' ' A' ' 41' ' ' SER . 36.2 m-85 60.23 105.74 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.082 -1.011 . . . . 0.0 109.449 -179.694 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.448 HD22 HD13 ' A' ' 47' ' ' ILE . 0.2 OUTLIER -91.11 126.11 36.1 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.322 -0.861 . . . . 0.0 109.605 -179.812 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.468 ' HG3' ' N ' ' A' ' 46' ' ' GLU . 8.5 pt-20 -163.86 -37.89 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.17 -0.956 . . . . 0.0 109.633 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.468 ' N ' ' HG3' ' A' ' 45' ' ' GLU . 0.1 OUTLIER -144.7 -54.1 0.32 Allowed 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.257 -0.902 . . . . 0.0 108.723 179.897 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.48 ' HA ' ' HA ' ' A' ' 84' ' ' CYS . 3.6 mt 63.2 100.53 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.39 -0.819 . . . . 0.0 109.664 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -89.7 -41.16 12.08 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.124 -0.985 . . . . 0.0 109.416 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.536 ' HB3' ' CG2' ' A' ' 52' ' ' VAL . 4.3 mm-40 -80.49 75.54 7.35 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.11 -0.994 . . . . 0.0 109.667 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.46 ' O ' ' HB2' ' A' ' 54' ' ' ASP . 37.3 tt0 -62.18 -23.46 66.62 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.244 -0.91 . . . . 0.0 109.519 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.33 -27.35 42.09 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.243 -0.91 . . . . 0.0 109.742 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.536 ' CG2' ' HB3' ' A' ' 49' ' ' GLU . 96.3 t -74.91 -45.64 42.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.171 -0.956 . . . . 0.0 109.605 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.524 HG21 ' CB ' ' A' ' 83' ' ' ALA . 57.3 t -78.69 -29.68 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.223 -0.923 . . . . 0.0 109.187 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.517 ' O ' ' CG ' ' A' ' 58' ' ' GLU . 5.5 m-20 -79.31 -22.6 44.35 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.21 -0.931 . . . . 0.0 108.828 179.32 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -80.56 -49.85 10.78 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.248 -0.908 . . . . 0.0 109.331 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.472 ' HB ' ' CE2' ' A' ' 76' ' ' PHE . 35.3 m -71.69 -46.16 63.28 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.307 0 O-C-N 121.093 -1.004 . . . . 0.0 108.615 179.431 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.519 ' CB ' ' O ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -63.15 -23.14 67.3 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 179.118 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.517 ' CG ' ' O ' ' A' ' 54' ' ' ASP . 5.8 mt-10 -71.8 -52.62 16.62 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.216 -0.927 . . . . 0.0 109.342 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 33.1 m -62.74 -27.58 69.37 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.101 -0.999 . . . . 0.0 108.457 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.412 HD11 ' HG2' ' A' ' 33' ' ' LYS . 8.6 mt -67.35 -53.04 33.03 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-O 121.532 0.682 . . . . 0.0 109.786 179.666 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.31 -7.64 59.14 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.556 -0.715 . . . . 0.0 110.039 -179.653 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.416 ' HB2' ' O ' ' A' ' 58' ' ' GLU . 9.5 tp10 -80.37 -47.11 14.93 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.14 -0.975 . . . . 0.0 109.792 -179.646 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -87.06 -70.25 0.63 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.384 -0.822 . . . . 0.0 109.896 -179.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.36 -43.23 3.21 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.298 -1.521 . . . . 0.0 109.298 -179.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -118.76 36.03 4.58 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.254 -1.145 . . . . 0.0 109.293 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -100.88 168.15 20.16 Favored Glycine 0 N--CA 1.488 2.156 0 N-CA-C 109.662 -1.375 . . . . 0.0 109.662 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.451 ' HB2' ' HE2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -109.34 129.76 55.52 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.303 -1.116 . . . . 0.0 109.391 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.432 ' SG ' ' HD3' ' A' ' 29' ' ' LYS . 3.6 m -93.89 168.34 11.04 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.073 -1.017 . . . . 0.0 109.016 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -111.19 -161.14 0.74 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.142 -0.974 . . . . 0.0 109.277 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.464 ' O ' ' HB2' ' A' ' 74' ' ' MET . 0.1 OUTLIER -88.68 -43.67 11.15 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.18 -0.95 . . . . 0.0 108.978 179.92 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.456 ' HG2' ' HB ' ' B' ' 82' ' ' THR . 1.1 mt-30 -71.64 -22.8 61.64 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.293 -0.88 . . . . 0.0 109.639 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.505 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 0.5 OUTLIER -78.29 -53.71 7.01 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.221 -0.924 . . . . 0.0 109.675 -179.817 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.551 ' CD2' ' CE1' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -63.88 -21.21 66.35 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.246 -0.909 . . . . 0.0 108.881 179.868 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.551 ' HA ' ' CE ' ' A' ' 74' ' ' MET . 0.7 OUTLIER -80.17 -53.01 7.08 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.068 -1.02 . . . . 0.0 109.513 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.525 ' O ' ' CG ' ' A' ' 79' ' ' MET . . . -70.89 -15.43 62.62 Favored 'General case' 0 C--N 1.299 -1.619 0 C-N-CA 119.521 -0.871 . . . . 0.0 109.117 -179.676 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.505 ' HB2' ' O ' ' A' ' 72' ' ' GLU . 1.0 OUTLIER -80.9 -40.31 24.87 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.496 -0.752 . . . . 0.0 109.515 179.598 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.525 ' CG1' ' HE1' ' B' ' 7' ' ' MET . 87.3 t -68.23 -26.19 33.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.254 -0.904 . . . . 0.0 109.701 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.442 ' O ' ' OG1' ' A' ' 82' ' ' THR . 49.7 m -80.67 -41.76 23.19 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.107 -0.996 . . . . 0.0 111.115 -179.199 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.525 ' CG ' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -59.9 -40.4 88.67 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.818 -1.176 . . . . 0.0 110.39 -178.941 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.557 ' O ' ' CB ' ' A' ' 42' ' ' HIS . 2.5 m -75.62 -43.01 41.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.143 -0.973 . . . . 0.0 111.14 -178.53 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.5 ' OG1' ' CE ' ' B' ' 7' ' ' MET . 1.6 m -61.83 -9.68 7.28 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.695 -1.253 . . . . 0.0 110.223 -179.494 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.471 ' HB ' ' HG2' ' B' ' 71' ' ' GLN . 0.3 OUTLIER -121.69 -0.0 9.75 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.998 -1.064 . . . . 0.0 109.937 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.524 ' CB ' HG21 ' A' ' 53' ' ' VAL . . . -73.55 -1.48 18.8 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.146 -0.972 . . . . 0.0 110.024 -179.738 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.523 ' CB ' ' HB3' ' A' ' 87' ' ' PHE . 0.9 OUTLIER -88.09 164.14 15.88 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.007 -1.058 . . . . 0.0 109.688 -179.931 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 57.9 t60 -63.07 -85.66 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.192 -0.943 . . . . 0.0 109.608 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.575 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -85.41 -28.2 25.28 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.169 -0.957 . . . . 0.0 109.422 -179.929 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.672 ' CZ ' ' CZ ' ' A' ' 88' ' ' PHE . 21.6 p90 33.09 41.52 0.03 OUTLIER 'General case' 0 N--CA 1.499 2.024 0 CA-C-O 121.2 0.524 . . . . 0.0 110.572 179.773 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.672 ' CZ ' ' CZ ' ' A' ' 87' ' ' PHE . 14.4 m-85 -132.9 -39.07 0.97 Allowed 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.065 -1.022 . . . . 0.0 109.286 179.725 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.04 131.97 39.83 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.386 -0.821 . . . . 0.0 109.291 179.694 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 13.9 p-80 -123.19 4.63 9.21 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.322 -0.861 . . . . 0.0 109.578 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 118.028 -0.987 . . . . 0.0 109.419 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.474 ' OG ' ' HB3' ' B' ' 4' ' ' GLU . 37.1 p -123.47 -176.92 3.57 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.29 -0.881 . . . . 0.0 109.618 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.549 ' HB2' ' CG2' ' A' ' 13' ' ' VAL . 2.4 mm-40 -80.08 -44.26 20.35 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.318 -0.864 . . . . 0.0 109.866 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.507 ' CD1' HD22 ' A' ' 10' ' ' LEU . 6.3 tp -75.71 -47.41 26.23 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.359 -0.838 . . . . 0.0 110.595 -178.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.523 ' O ' ' CG2' ' B' ' 8' ' ' VAL . 4.5 tt0 -64.35 -49.35 72.02 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.927 -1.108 . . . . 0.0 110.457 -178.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.69 -36.31 75.85 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.931 -1.105 . . . . 0.0 110.439 -179.192 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . 0.452 ' O ' ' HB1' ' B' ' 9' ' ' ALA . . . -80.4 -67.6 0.75 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.996 -1.065 . . . . 0.0 110.227 -179.518 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' MET . . . . . 0.525 ' HE1' ' CG1' ' A' ' 77' ' ' VAL . 4.3 tpt -45.88 -53.49 9.71 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.268 -0.895 . . . . 0.0 109.525 -179.617 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . 0.523 ' CG2' ' O ' ' B' ' 4' ' ' GLU . 21.5 t -62.13 -38.21 80.35 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.578 0 C-N-CA 119.618 -0.833 . . . . 0.0 109.146 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . 0.452 ' HB1' ' O ' ' B' ' 6' ' ' ALA . . . -53.18 -37.56 62.03 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.069 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.49 HD22 ' CD1' ' A' ' 3' ' ' LEU . 0.5 OUTLIER -55.36 -46.77 76.45 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 178.922 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.472 ' CD1' ' N ' ' B' ' 11' ' ' ILE . 1.7 mp -56.32 -32.97 36.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 179.118 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -60.06 -49.71 76.58 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.617 -0.677 . . . . 0.0 109.319 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . 0.538 ' CG2' ' HB2' ' A' ' 2' ' ' GLU . 69.1 t -49.22 -49.22 17.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.264 -0.897 . . . . 0.0 109.089 179.726 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.549 ' CE1' ' CD2' ' B' ' 73' ' ' PHE . 0.6 OUTLIER -44.76 -59.73 2.37 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.386 -0.821 . . . . 0.0 109.628 -179.925 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 29.5 t-80 -54.61 -34.84 62.69 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.154 -0.966 . . . . 0.0 109.567 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.39 -36.88 83.69 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.234 -0.916 . . . . 0.0 109.761 -179.656 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.597 ' CG ' HD22 ' B' ' 35' ' ' LEU . 72.0 m-85 -102.3 15.6 28.68 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.127 -0.983 . . . . 0.0 109.606 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.58 -6.94 7.46 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.197 -0.94 . . . . 0.0 109.521 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.05 -21.24 68.35 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.461 -1.455 . . . . 0.0 109.461 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.53 -153.89 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.319 -1.106 . . . . 0.0 109.397 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' B' ' 22' ' ' GLY . 2.9 pm0 -55.59 -99.03 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.166 -0.959 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' B' ' 21' ' ' GLU . . . 42.73 -120.58 2.58 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.71 -1.356 . . . . 0.0 109.71 179.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.458 ' O ' ' HB2' ' B' ' 24' ' ' LYS . 21.8 t70 -141.98 -55.7 0.45 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.282 -1.129 . . . . 0.0 109.215 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.458 ' HB2' ' O ' ' B' ' 23' ' ' ASP . 14.9 ttpt 177.4 -48.87 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.377 -0.827 . . . . 0.0 109.493 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -134.77 26.46 3.66 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.222 -0.924 . . . . 0.0 110.034 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.449 ' HE2' ' HB2' ' B' ' 67' ' ' GLU . 4.9 ptmm? -119.07 129.76 55.26 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.049 -1.032 . . . . 0.0 109.222 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.416 HD21 ' HB2' ' B' ' 32' ' ' LEU . 1.7 tp -94.17 -161.87 0.89 Allowed 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.322 -0.861 . . . . 0.0 109.403 -179.731 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.467 ' O ' ' CB ' ' B' ' 32' ' ' LEU . 0.2 OUTLIER -139.93 177.5 7.92 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.267 -0.896 . . . . 0.0 109.176 179.815 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.44 ' O ' ' HB2' ' B' ' 33' ' ' LYS . 10.0 mmtp -78.67 -32.36 47.09 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.193 -0.942 . . . . 0.0 109.137 179.675 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.1 t -81.02 -35.2 32.2 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.301 -0.875 . . . . 0.0 109.607 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.475 ' O ' ' HB2' ' B' ' 35' ' ' LEU . 9.4 tt0 -81.73 -25.78 35.11 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 179.71 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.48 ' O ' HG13 ' B' ' 36' ' ' ILE . 22.3 tp -79.83 -40.52 28.31 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 179.226 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.44 ' HB2' ' O ' ' B' ' 29' ' ' LYS . 0.0 OUTLIER -64.94 -37.18 86.78 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 179.329 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.545 ' HG3' ' N ' ' B' ' 35' ' ' LEU . 0.0 OUTLIER -78.09 -31.17 49.98 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 179.697 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.597 HD22 ' CG ' ' B' ' 17' ' ' TYR . 0.2 OUTLIER -55.11 -44.6 75.11 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 178.947 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.48 HG13 ' O ' ' B' ' 32' ' ' LEU . 0.2 OUTLIER -81.32 -61.57 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.465 0 O-C-N 121.501 -0.749 . . . . 0.0 109.832 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -54.76 -11.24 0.56 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.255 -0.903 . . . . 0.0 111.63 -178.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.478 ' HB2' ' O ' ' B' ' 34' ' ' GLU . 0.3 OUTLIER -104.08 -58.21 1.91 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.448 -1.408 . . . . 0.0 110.593 -179.406 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.494 ' O ' ' HB3' ' A' ' 3' ' ' LEU . 52.8 mt-10 -111.44 31.6 6.0 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.943 -1.098 . . . . 0.0 110.385 -179.255 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.5 ' HG ' HD22 ' A' ' 3' ' ' LEU . 0.2 OUTLIER -153.0 -86.86 0.06 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.099 -1.0 . . . . 0.0 108.836 179.835 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.582 ' O ' ' CG ' ' B' ' 42' ' ' HIS . 2.8 m 63.22 6.98 2.58 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.81 -1.181 . . . . 0.0 110.539 179.251 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . 0.582 ' CG ' ' O ' ' B' ' 41' ' ' SER . 31.5 p80 38.96 27.86 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.405 -0.809 . . . . 0.0 110.035 179.785 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . 0.502 ' N ' ' O ' ' B' ' 41' ' ' SER . 36.4 m-85 60.41 105.67 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.183 -0.948 . . . . 0.0 109.386 -179.774 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.454 HD22 HD13 ' B' ' 47' ' ' ILE . 0.2 OUTLIER -91.08 126.16 36.08 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.301 -0.874 . . . . 0.0 109.553 -179.85 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.462 ' HG3' ' N ' ' B' ' 46' ' ' GLU . 8.5 pt-20 -163.89 -37.99 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.138 -0.976 . . . . 0.0 109.595 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.462 ' N ' ' HG3' ' B' ' 45' ' ' GLU . 0.1 OUTLIER -144.7 -54.02 0.32 Allowed 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.227 -0.92 . . . . 0.0 108.699 179.9 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.48 ' HA ' ' HA ' ' B' ' 84' ' ' CYS . 3.6 mt 63.2 100.5 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.382 -0.824 . . . . 0.0 109.697 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 12.8 tttp -89.68 -41.12 12.11 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.2 -0.937 . . . . 0.0 109.503 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.521 ' HB3' ' CG2' ' B' ' 52' ' ' VAL . 4.3 mm-40 -80.48 75.57 7.33 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.22 -0.925 . . . . 0.0 109.615 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . 0.466 ' O ' ' HB2' ' B' ' 54' ' ' ASP . 37.3 tt0 -62.13 -23.53 66.62 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.241 -0.912 . . . . 0.0 109.503 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.41 -27.36 41.79 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.274 -0.891 . . . . 0.0 109.689 -179.673 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.521 ' CG2' ' HB3' ' B' ' 49' ' ' GLU . 96.8 t -74.91 -45.59 42.87 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.15 -0.969 . . . . 0.0 109.593 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.528 HG21 ' CB ' ' B' ' 83' ' ' ALA . 57.1 t -78.72 -29.64 14.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.249 -0.907 . . . . 0.0 109.173 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . 0.517 ' O ' ' CG ' ' B' ' 58' ' ' GLU . 5.4 m-20 -79.35 -22.6 44.22 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.221 -0.925 . . . . 0.0 108.863 179.293 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -80.47 -49.89 10.8 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.309 -0.87 . . . . 0.0 109.411 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.472 ' HB ' ' CE2' ' B' ' 76' ' ' PHE . 35.3 m -71.62 -46.28 63.3 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.281 0 O-C-N 121.063 -1.023 . . . . 0.0 108.58 179.449 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.528 ' CB ' ' O ' ' B' ' 53' ' ' VAL . 0.0 OUTLIER -63.0 -23.21 67.34 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 179.104 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . 0.517 ' CG ' ' O ' ' B' ' 54' ' ' ASP . 5.9 mt-10 -71.81 -52.57 16.87 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.26 -0.9 . . . . 0.0 109.42 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 33.6 m -62.86 -27.56 69.43 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.031 -1.043 . . . . 0.0 108.342 179.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.429 HD11 ' HG2' ' B' ' 33' ' ' LYS . 8.6 mt -67.4 -52.93 33.92 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-O 121.459 0.647 . . . . 0.0 109.697 179.699 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.43 -7.52 59.17 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.505 -0.747 . . . . 0.0 109.987 -179.57 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.423 ' HB2' ' O ' ' B' ' 58' ' ' GLU . 9.6 tp10 -80.59 -46.99 14.81 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.208 -0.933 . . . . 0.0 109.756 -179.557 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -87.12 -70.23 0.63 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.387 -0.821 . . . . 0.0 109.775 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.32 -43.28 3.22 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.272 -1.531 . . . . 0.0 109.272 -179.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -118.84 36.12 4.56 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.251 -1.146 . . . . 0.0 109.319 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -100.89 168.11 20.13 Favored Glycine 0 N--CA 1.488 2.131 0 N-CA-C 109.615 -1.394 . . . . 0.0 109.615 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.449 ' HB2' ' HE2' ' B' ' 26' ' ' LYS . 0.0 OUTLIER -109.32 129.79 55.51 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.271 -1.135 . . . . 0.0 109.386 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.438 ' SG ' ' HD3' ' B' ' 29' ' ' LYS . 3.6 m -93.89 168.36 11.03 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.119 -0.988 . . . . 0.0 109.029 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -111.26 -161.15 0.74 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.044 -1.035 . . . . 0.0 109.347 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.465 ' O ' ' HB2' ' B' ' 74' ' ' MET . 0.1 OUTLIER -88.7 -43.71 11.1 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.103 -0.998 . . . . 0.0 108.95 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . 0.471 ' HG2' ' HB ' ' A' ' 82' ' ' THR . 1.1 mt-30 -71.57 -22.83 61.69 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.325 -0.859 . . . . 0.0 109.579 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.504 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 0.5 OUTLIER -78.35 -53.64 7.07 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.235 -0.916 . . . . 0.0 109.647 -179.67 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.549 ' CD2' ' CE1' ' B' ' 14' ' ' PHE . 0.3 OUTLIER -63.84 -21.25 66.36 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.278 -0.888 . . . . 0.0 109.002 179.778 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' MET . . . . . 0.542 ' HA ' ' CE ' ' B' ' 74' ' ' MET . 0.7 OUTLIER -80.21 -52.84 7.27 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.089 -1.007 . . . . 0.0 109.522 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.516 ' O ' ' CG ' ' B' ' 79' ' ' MET . . . -70.98 -15.46 62.58 Favored 'General case' 0 C--N 1.299 -1.63 0 C-N-CA 119.51 -0.876 . . . . 0.0 109.08 -179.714 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.504 ' HB2' ' O ' ' B' ' 72' ' ' GLU . 1.0 OUTLIER -80.84 -40.35 25.04 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.456 -0.777 . . . . 0.0 109.42 179.573 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.511 ' CG1' ' HE1' ' A' ' 7' ' ' MET . 88.2 t -68.19 -26.36 33.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.255 -0.903 . . . . 0.0 109.701 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.452 ' O ' ' OG1' ' B' ' 82' ' ' THR . 50.6 m -80.6 -41.68 23.54 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.1 -1.0 . . . . 0.0 111.069 -179.135 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' MET . . . . . 0.516 ' CG ' ' O ' ' B' ' 75' ' ' ALA . 0.0 OUTLIER -59.94 -40.35 88.63 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.824 -1.173 . . . . 0.0 110.452 -178.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . 0.56 ' O ' ' CB ' ' B' ' 42' ' ' HIS . 2.5 m -75.64 -43.06 41.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.134 -0.979 . . . . 0.0 111.119 -178.578 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.498 ' OG1' ' CE ' ' A' ' 7' ' ' MET . 1.6 m -61.74 -9.75 7.16 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.68 -1.263 . . . . 0.0 110.305 -179.503 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.456 ' HB ' ' HG2' ' A' ' 71' ' ' GLN . 0.4 OUTLIER -121.6 -0.03 9.8 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.954 -1.091 . . . . 0.0 110.005 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . 0.528 ' CB ' HG21 ' B' ' 53' ' ' VAL . . . -73.56 -1.34 18.31 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.148 -0.97 . . . . 0.0 110.053 -179.741 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . 0.514 ' CB ' ' HB3' ' B' ' 87' ' ' PHE . 0.9 OUTLIER -88.25 164.18 15.74 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.994 -1.066 . . . . 0.0 109.643 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 57.9 t60 -63.15 -85.6 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.2 -0.938 . . . . 0.0 109.655 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . 0.577 ' O ' ' CD1' ' B' ' 87' ' ' PHE . 0.0 OUTLIER -85.4 -28.26 25.25 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.169 -0.957 . . . . 0.0 109.362 -179.918 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . 0.675 ' CZ ' ' CZ ' ' B' ' 88' ' ' PHE . 21.8 p90 33.08 41.48 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.967 0 CA-C-O 121.179 0.514 . . . . 0.0 110.604 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.675 ' CZ ' ' CZ ' ' B' ' 87' ' ' PHE . 14.3 m-85 -132.87 -39.0 0.97 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.075 -1.015 . . . . 0.0 109.284 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.15 131.93 39.69 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.474 -0.766 . . . . 0.0 109.208 179.717 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 14.0 p-80 -123.14 4.68 9.24 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.292 -0.88 . . . . 0.0 109.627 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 117.996 -1.002 . . . . 0.0 109.367 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' MET . . . . . 0.484 ' O ' ' CG ' ' A' ' 0' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.411 ' O ' ' HB2' ' A' ' 5' ' ' LYS . 20.3 p -89.11 -175.47 4.82 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.307 -0.871 . . . . 0.0 109.471 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.519 ' HB3' ' CG2' ' B' ' 13' ' ' VAL . 8.3 tt0 -80.21 -38.92 30.16 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.329 -0.857 . . . . 0.0 110.024 -179.578 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.604 ' CD1' ' CD2' ' B' ' 10' ' ' LEU . 16.4 tp -78.39 -52.31 8.76 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.154 -0.966 . . . . 0.0 110.057 -179.459 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.534 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 3.5 tm-20 -55.92 -34.38 65.54 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.325 -0.86 . . . . 0.0 110.03 -179.064 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 1' ' ' SER . 11.1 tptt -80.4 -51.46 8.82 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.922 -1.112 . . . . 0.0 110.254 -179.57 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.526 ' HB3' ' N ' ' B' ' 10' ' ' LEU . . . -73.45 -62.22 1.56 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.126 -0.984 . . . . 0.0 110.251 -179.364 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.536 ' CE ' HG11 ' B' ' 77' ' ' VAL . 13.9 tpt -45.5 -47.53 14.13 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.325 -0.859 . . . . 0.0 109.718 -179.466 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.534 ' CG2' ' O ' ' A' ' 4' ' ' GLU . 40.0 t -71.9 -30.44 37.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.371 -0.83 . . . . 0.0 109.996 -179.588 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.501 ' CB ' ' HB3' ' B' ' 6' ' ' ALA . . . -60.23 -54.59 43.94 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.058 -1.026 . . . . 0.0 109.53 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.6 ' CD1' ' N ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -52.26 -41.09 62.54 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.179 -0.951 . . . . 0.0 108.8 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.6 ' N ' ' CD1' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -63.17 -35.69 72.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 120.953 -1.092 . . . . 0.0 108.328 179.697 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 13' ' ' VAL . 9.2 t0 -56.66 -44.24 81.15 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 178.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.497 ' CG2' ' HB3' ' B' ' 2' ' ' GLU . 14.0 t -47.41 -43.0 8.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 178.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.589 ' CE2' ' HB3' ' A' ' 70' ' ' PHE . 77.6 t80 -48.01 -49.68 30.18 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.346 -0.847 . . . . 0.0 108.839 179.402 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.557 ' HB2' ' CE2' ' B' ' 88' ' ' PHE . 32.7 t-80 -60.4 -36.04 77.17 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.399 -0.813 . . . . 0.0 109.408 179.656 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -54.73 -52.79 61.39 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.278 -0.889 . . . . 0.0 109.392 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.578 ' CD2' HD22 ' A' ' 35' ' ' LEU . 83.5 m-85 -87.87 0.05 56.33 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.303 -0.873 . . . . 0.0 109.487 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.0 t -129.89 26.73 5.23 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.213 -0.93 . . . . 0.0 109.324 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 15' ' ' HIS . . . -130.0 -1.4 5.38 Favored Glycine 0 N--CA 1.487 2.061 0 N-CA-C 109.763 -1.335 . . . . 0.0 109.763 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 19' ' ' GLY . 1.1 mtp85 -43.76 -88.07 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.217 -1.167 . . . . 0.0 109.416 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -122.48 -80.95 0.63 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.278 -0.889 . . . . 0.0 109.218 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.524 ' O ' ' C ' ' A' ' 23' ' ' ASP . . . -80.26 -145.22 3.84 Favored Glycine 0 N--CA 1.488 2.147 0 N-CA-C 109.245 -1.542 . . . . 0.0 109.245 179.766 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.524 ' C ' ' O ' ' A' ' 22' ' ' GLY . 0.4 OUTLIER 26.82 71.9 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.462 0 O-C-N 122.2 -0.588 . . . . 0.0 110.989 179.275 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.576 ' HB3' ' CE1' ' A' ' 25' ' ' HIS . 7.5 ttpt -83.03 -13.33 56.08 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.249 -0.907 . . . . 0.0 109.547 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.576 ' CE1' ' HB3' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -146.21 28.57 1.1 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.239 -0.913 . . . . 0.0 109.28 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.87 128.33 14.98 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.139 -0.976 . . . . 0.0 109.735 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.457 HD23 ' HG2' ' A' ' 31' ' ' GLU . 1.6 mt -111.24 -157.57 0.62 Allowed 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 179.708 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' A' ' 66' ' ' GLY . 14.2 mtpt -141.07 173.78 11.16 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.945 -1.097 . . . . 0.0 109.641 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.434 ' HB2' ' O ' ' A' ' 63' ' ' ASP . 4.7 mmtt -74.43 -31.81 62.43 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.325 -0.859 . . . . 0.0 109.657 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.409 ' HB2' ' O ' ' A' ' 64' ' ' GLY . 46.9 t -73.43 -26.43 60.95 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.138 -0.976 . . . . 0.0 109.512 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.472 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 1.2 tt0 -87.36 -19.9 27.49 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.056 -1.027 . . . . 0.0 108.478 179.476 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.47 ' O ' HG13 ' A' ' 36' ' ' ILE . 10.4 tp -80.91 -38.03 28.64 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 178.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.464 ' HB2' HD21 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -63.6 -36.81 85.03 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.262 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.551 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 9.5 pt-20 -78.58 -38.33 40.4 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 179.587 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.578 HD22 ' CD2' ' A' ' 17' ' ' TYR . 0.2 OUTLIER -48.02 -49.91 29.47 Favored 'General case' 0 C--N 1.295 -1.793 0 CA-C-O 121.489 0.661 . . . . 0.0 109.255 179.548 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -82.33 -52.41 13.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.536 -0.727 . . . . 0.0 110.909 -179.259 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -72.96 3.93 4.79 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.312 -0.868 . . . . 0.0 111.494 -178.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.551 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 55.4 t30 -119.95 -73.92 0.63 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.761 -1.212 . . . . 0.0 110.175 -179.638 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.458 ' HB3' ' HB3' ' B' ' 3' ' ' LEU . 4.2 mp0 -63.77 -41.99 97.88 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.063 -1.023 . . . . 0.0 109.778 -179.507 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.487 ' O ' ' C ' ' A' ' 41' ' ' SER . 2.2 tt -75.24 -89.1 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.189 -0.945 . . . . 0.0 109.313 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.487 ' C ' ' O ' ' A' ' 40' ' ' LEU . 5.6 t 31.56 95.23 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.342 -0.849 . . . . 0.0 111.047 179.316 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -172.69 -56.4 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.878 -1.139 . . . . 0.0 109.854 179.641 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.456 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 6.3 m-85 -82.96 -2.2 54.51 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.199 -0.938 . . . . 0.0 109.708 -179.742 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.04 99.79 2.36 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.158 -0.964 . . . . 0.0 109.567 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -127.94 -62.7 1.05 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.273 -0.892 . . . . 0.0 109.138 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.449 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 9.7 pt-20 -117.74 -27.27 6.29 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.423 -0.798 . . . . 0.0 109.192 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.449 ' HB ' ' O ' ' A' ' 46' ' ' GLU . 3.1 mt 65.86 113.88 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.366 -0.834 . . . . 0.0 109.679 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.37 -42.37 10.96 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.174 -0.954 . . . . 0.0 109.189 179.693 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.457 ' HB3' ' HB ' ' A' ' 52' ' ' VAL . 13.6 mm-40 -88.08 62.67 6.92 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.291 -0.88 . . . . 0.0 109.352 179.628 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.471 ' O ' ' HB2' ' A' ' 54' ' ' ASP . 34.6 tt0 -49.27 -22.9 1.17 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.179 -0.951 . . . . 0.0 109.534 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -78.79 -41.67 29.81 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.249 -0.907 . . . . 0.0 109.701 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.457 ' HB ' ' HB3' ' A' ' 49' ' ' GLU . 77.0 t -61.82 -55.07 26.68 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.167 -0.958 . . . . 0.0 109.667 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.423 ' O ' ' HB2' ' A' ' 57' ' ' MET . 81.1 t -66.39 -27.67 41.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.333 -0.854 . . . . 0.0 109.644 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.487 ' O ' ' HG3' ' A' ' 58' ' ' GLU . 50.8 m-20 -75.7 -22.99 56.12 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.11 -0.993 . . . . 0.0 109.078 179.777 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.34 -51.59 9.22 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.302 -0.874 . . . . 0.0 109.762 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.588 HG13 ' CD2' ' A' ' 76' ' ' PHE . 12.0 m -70.5 -39.77 76.62 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.354 0 O-C-N 121.164 -0.96 . . . . 0.0 109.213 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.423 ' HB2' ' O ' ' A' ' 53' ' ' VAL . 26.2 tpp -68.6 -26.99 65.65 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.451 -0.781 . . . . 0.0 109.122 179.537 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.487 ' HG3' ' O ' ' A' ' 54' ' ' ASP . 0.7 OUTLIER -73.11 -50.21 24.11 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.164 -0.96 . . . . 0.0 109.117 179.69 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 25.1 m -65.52 -24.11 67.04 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 179.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.464 HD21 ' HB2' ' A' ' 33' ' ' LYS . 10.5 mt -70.2 -52.77 20.78 Favored 'General case' 0 N--CA 1.487 1.388 0 CA-C-O 121.432 0.634 . . . . 0.0 109.7 179.761 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.77 -15.22 60.29 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.434 -0.791 . . . . 0.0 110.078 -179.525 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -79.05 -35.21 42.91 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.003 -1.061 . . . . 0.0 109.717 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.434 ' O ' ' HB2' ' A' ' 29' ' ' LYS . 6.1 m-20 -139.59 47.91 1.85 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.232 -0.917 . . . . 0.0 109.7 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.409 ' O ' ' HB2' ' A' ' 30' ' ' SER . . . -47.98 -25.88 4.06 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.388 -1.485 . . . . 0.0 109.388 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -101.67 44.46 1.01 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.389 -1.066 . . . . 0.0 109.431 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.462 ' O ' ' HG2' ' A' ' 28' ' ' LYS . . . -114.09 -168.56 16.39 Favored Glycine 0 N--CA 1.487 2.057 0 N-CA-C 109.65 -1.38 . . . . 0.0 109.65 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -122.39 134.68 54.61 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.235 -1.156 . . . . 0.0 109.544 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -122.41 161.84 22.74 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.275 -0.89 . . . . 0.0 109.431 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -96.79 165.21 12.23 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.232 -0.917 . . . . 0.0 109.151 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.589 ' HB3' ' CE2' ' A' ' 14' ' ' PHE . 35.5 p90 -63.97 -46.71 83.44 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.02 -1.05 . . . . 0.0 109.08 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.581 ' N ' ' CG ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -65.71 -25.72 67.44 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.243 -0.91 . . . . 0.0 109.027 179.745 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.534 ' N ' ' HG3' ' A' ' 71' ' ' GLN . 0.7 OUTLIER -70.77 -68.63 0.42 Allowed 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 179.253 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.449 ' CE2' ' HG ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -48.49 -28.5 3.37 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 178.811 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.557 ' CE ' HD13 ' A' ' 10' ' ' LEU . 49.3 mmm -64.87 -57.64 8.29 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.479 -0.763 . . . . 0.0 109.696 -179.672 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.478 ' O ' ' HG3' ' A' ' 79' ' ' MET . . . -61.73 -23.14 65.95 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.251 -0.906 . . . . 0.0 109.051 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.588 ' CD2' HG13 ' A' ' 56' ' ' VAL . 1.1 m-85 -75.34 -32.44 60.9 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 179.551 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.52 HG11 ' CE ' ' B' ' 7' ' ' MET . 65.4 t -69.52 -26.16 30.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.545 -0.722 . . . . 0.0 109.191 179.592 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 24.4 p -78.77 -55.2 5.35 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.314 -0.866 . . . . 0.0 110.312 -179.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.478 ' HG3' ' O ' ' A' ' 75' ' ' ALA . 1.1 mtt -49.01 -49.05 42.86 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.18 -0.95 . . . . 0.0 109.481 -179.395 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.43 HG23 HG23 ' A' ' 36' ' ' ILE . 33.3 m -68.98 -48.04 72.29 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 O-C-N 121.45 -0.781 . . . . 0.0 110.279 -179.174 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.467 ' OG1' ' O ' ' A' ' 77' ' ' VAL . 26.0 m -68.15 -6.11 21.53 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.106 -0.996 . . . . 0.0 109.834 -179.729 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 81.3 p -119.31 -9.34 9.94 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.117 -0.989 . . . . 0.0 109.622 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.69 -59.3 2.9 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.286 -0.884 . . . . 0.0 109.665 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.456 ' SG ' ' O ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -44.99 154.06 0.16 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.334 -0.854 . . . . 0.0 109.642 -179.808 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.403 ' O ' ' HB2' ' A' ' 86' ' ' GLU . 0.2 OUTLIER -69.59 149.31 48.3 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.236 -0.915 . . . . 0.0 109.441 179.82 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' A' ' 85' ' ' HIS . 2.2 mm-40 65.16 -178.41 0.18 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.185 -0.947 . . . . 0.0 109.238 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.688 ' CD1' ' CZ ' ' A' ' 88' ' ' PHE . 0.1 OUTLIER -154.24 -37.84 0.09 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.296 -0.877 . . . . 0.0 109.779 179.686 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.688 ' CZ ' ' CD1' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -130.21 47.75 2.48 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.826 -1.171 . . . . 0.0 109.796 179.107 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.558 ' C ' ' CD2' ' A' ' 90' ' ' HIS . 2.2 tt0 -91.82 -58.19 2.49 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.998 -1.063 . . . . 0.0 109.44 179.569 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.558 ' CD2' ' C ' ' A' ' 89' ' ' GLU . 2.3 p80 40.43 84.42 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.666 -0.647 . . . . 0.0 109.657 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.517 0 CA-C-O 117.917 -1.039 . . . . 0.0 109.272 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 0' ' ' MET . . . . . 0.485 ' O ' ' CG ' ' B' ' 0' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.473 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.404 ' O ' ' HB2' ' B' ' 5' ' ' LYS . 20.3 p -89.17 -175.55 4.83 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.305 -0.872 . . . . 0.0 109.463 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.497 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 8.3 tt0 -80.18 -38.89 30.36 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.299 -0.875 . . . . 0.0 110.035 -179.582 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.586 ' CD1' ' CD2' ' A' ' 10' ' ' LEU . 16.4 tp -78.41 -52.4 8.62 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.159 -0.963 . . . . 0.0 109.986 -179.475 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.532 ' O ' ' CG2' ' B' ' 8' ' ' VAL . 3.6 tm-20 -55.84 -34.29 65.27 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 121.175 -0.953 . . . . 0.0 110.116 -179.059 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' B' ' 1' ' ' SER . 11.1 tptt -80.6 -51.36 8.83 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.936 -1.103 . . . . 0.0 110.205 -179.519 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . 0.523 ' HB3' ' N ' ' A' ' 10' ' ' LEU . . . -73.46 -62.25 1.55 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.99 -1.069 . . . . 0.0 110.221 -179.438 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' MET . . . . . 0.52 ' CE ' HG11 ' A' ' 77' ' ' VAL . 13.9 tpt -45.5 -47.41 14.16 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.458 -0.776 . . . . 0.0 109.772 -179.435 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . 0.532 ' CG2' ' O ' ' B' ' 4' ' ' GLU . 40.2 t -71.95 -30.51 37.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.412 -0.805 . . . . 0.0 109.982 -179.549 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . 0.52 ' CB ' ' HB3' ' A' ' 6' ' ' ALA . . . -60.26 -54.55 44.4 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.067 -1.021 . . . . 0.0 109.549 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.604 ' CD2' ' CD1' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -52.2 -41.29 62.56 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.244 -0.91 . . . . 0.0 108.688 179.946 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.594 ' N ' ' CD1' ' B' ' 10' ' ' LEU . 0.5 OUTLIER -63.05 -35.65 72.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.061 -1.024 . . . . 0.0 108.4 179.731 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -56.71 -44.31 81.45 Favored 'General case' 0 C--N 1.306 -1.322 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 178.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . 0.519 ' CG2' ' HB3' ' A' ' 2' ' ' GLU . 14.0 t -47.35 -43.07 8.02 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 178.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.592 ' CE2' ' HB3' ' B' ' 70' ' ' PHE . 77.6 t80 -47.94 -49.7 29.4 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.389 -0.819 . . . . 0.0 108.826 179.405 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . 0.509 ' HB2' ' CE2' ' A' ' 88' ' ' PHE . 32.7 t-80 -60.46 -36.04 77.29 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.318 -0.864 . . . . 0.0 109.367 179.737 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -54.66 -52.77 61.29 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.167 -0.958 . . . . 0.0 109.402 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.569 ' CD2' HD22 ' B' ' 35' ' ' LEU . 83.6 m-85 -87.96 0.01 56.44 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.373 -0.829 . . . . 0.0 109.464 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 3.0 t -129.85 26.79 5.24 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.249 -0.907 . . . . 0.0 109.346 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' B' ' 15' ' ' HIS . . . -130.07 -1.39 5.36 Favored Glycine 0 N--CA 1.486 2.023 0 N-CA-C 109.78 -1.328 . . . . 0.0 109.78 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' B' ' 19' ' ' GLY . 1.1 mtp85 -43.74 -88.03 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.154 -1.203 . . . . 0.0 109.383 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -122.59 -80.88 0.63 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.317 -0.864 . . . . 0.0 109.185 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . 0.523 ' O ' ' C ' ' B' ' 23' ' ' ASP . . . -80.25 -145.3 3.87 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.265 -1.534 . . . . 0.0 109.265 179.74 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.523 ' C ' ' O ' ' B' ' 22' ' ' GLY . 0.4 OUTLIER 26.89 72.0 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.495 0 O-C-N 122.113 -0.64 . . . . 0.0 110.883 179.236 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.576 ' HB3' ' CE1' ' B' ' 25' ' ' HIS . 7.5 ttpt -83.1 -13.3 55.95 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.275 -0.89 . . . . 0.0 109.539 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . 0.576 ' CE1' ' HB3' ' B' ' 24' ' ' LYS . 0.0 OUTLIER -146.26 28.63 1.09 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.146 -0.971 . . . . 0.0 109.233 -179.869 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.4 ' O ' ' HB3' ' B' ' 23' ' ' ASP . 0.0 OUTLIER -146.99 128.31 14.85 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.276 -0.89 . . . . 0.0 109.663 -179.88 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.461 HD23 ' HG2' ' B' ' 31' ' ' GLU . 1.6 mt -111.23 -157.54 0.62 Allowed 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.339 -0.85 . . . . 0.0 108.913 179.743 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.456 ' HG2' ' O ' ' B' ' 66' ' ' GLY . 14.3 mtpt -141.15 173.72 11.22 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.988 -1.07 . . . . 0.0 109.588 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.434 ' HB2' ' O ' ' B' ' 63' ' ' ASP . 4.7 mmtt -74.34 -31.77 62.55 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.319 -0.863 . . . . 0.0 109.71 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.409 ' HB2' ' O ' ' B' ' 64' ' ' GLY . 47.1 t -73.5 -26.44 60.89 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.15 -0.969 . . . . 0.0 109.509 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.472 ' O ' ' HG2' ' B' ' 34' ' ' GLU . 1.2 tt0 -87.3 -19.9 27.59 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.048 -1.032 . . . . 0.0 108.492 179.358 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.459 ' O ' HG13 ' B' ' 36' ' ' ILE . 10.4 tp -80.96 -37.95 28.55 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 178.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.461 ' HG3' HD11 ' B' ' 60' ' ' LEU . 0.2 OUTLIER -63.67 -36.77 84.95 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 179.179 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.547 ' O ' ' CB ' ' B' ' 38' ' ' ASN . 9.5 pt-20 -78.59 -38.34 40.26 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 179.567 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.572 ' CD1' ' CD2' ' A' ' 3' ' ' LEU . 0.2 OUTLIER -48.13 -49.82 30.83 Favored 'General case' 0 C--N 1.293 -1.854 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.591 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.459 HG13 ' O ' ' B' ' 32' ' ' LEU . 0.1 OUTLIER -82.36 -52.27 13.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.53 -0.731 . . . . 0.0 110.975 -179.35 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -73.03 3.83 4.98 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.252 -0.905 . . . . 0.0 111.53 -178.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.547 ' CB ' ' O ' ' B' ' 34' ' ' GLU . 55.2 t30 -119.89 -73.9 0.63 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.731 -1.231 . . . . 0.0 110.198 -179.589 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.486 ' HB3' ' HB3' ' A' ' 3' ' ' LEU . 4.2 mp0 -63.67 -42.13 98.09 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.083 -1.011 . . . . 0.0 109.81 -179.575 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.499 ' O ' ' C ' ' B' ' 41' ' ' SER . 2.3 tt -75.19 -89.04 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.105 -0.997 . . . . 0.0 109.357 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.499 ' C ' ' O ' ' B' ' 40' ' ' LEU . 5.6 t 31.49 95.24 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.34 -0.85 . . . . 0.0 111.015 179.24 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -172.64 -56.45 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.936 -1.103 . . . . 0.0 109.898 179.613 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . 0.451 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 6.2 m-85 -82.93 -2.17 54.27 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.204 -0.935 . . . . 0.0 109.745 -179.762 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.11 99.78 2.39 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.115 -0.99 . . . . 0.0 109.553 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -127.92 -62.64 1.05 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.363 -0.836 . . . . 0.0 109.221 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.447 ' O ' ' HB ' ' B' ' 47' ' ' ILE . 9.6 pt-20 -117.76 -27.26 6.29 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.504 -0.747 . . . . 0.0 109.279 179.749 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.447 ' HB ' ' O ' ' B' ' 46' ' ' GLU . 3.1 mt 65.86 113.82 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.331 -0.856 . . . . 0.0 109.696 179.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.4 ' HE3' ' NE2' ' B' ' 85' ' ' HIS . 0.0 OUTLIER -90.27 -42.47 10.97 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.138 -0.976 . . . . 0.0 109.179 179.709 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.445 ' HB3' ' HB ' ' B' ' 52' ' ' VAL . 13.5 mm-40 -88.07 62.65 6.91 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.28 -0.887 . . . . 0.0 109.251 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . 0.467 ' O ' ' HB2' ' B' ' 54' ' ' ASP . 34.6 tt0 -49.18 -22.95 1.11 Allowed 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.285 -0.884 . . . . 0.0 109.575 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -78.75 -41.73 29.95 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.288 -0.882 . . . . 0.0 109.679 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.453 HG11 ' HB3' ' B' ' 79' ' ' MET . 78.0 t -61.89 -54.98 27.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.133 -0.98 . . . . 0.0 109.66 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.44 ' O ' ' HB2' ' B' ' 57' ' ' MET . 80.9 t -66.55 -27.51 40.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.21 -0.931 . . . . 0.0 109.683 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . 0.482 ' O ' ' HG3' ' B' ' 58' ' ' GLU . 51.0 m-20 -75.76 -23.05 55.94 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.107 -0.996 . . . . 0.0 109.073 179.695 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.23 -51.73 9.09 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.209 -0.932 . . . . 0.0 109.733 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.586 HG13 ' CD2' ' B' ' 76' ' ' PHE . 12.0 m -70.39 -39.95 77.07 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 O-C-N 121.014 -1.054 . . . . 0.0 109.167 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.44 ' HB2' ' O ' ' B' ' 53' ' ' VAL . 26.2 tpp -68.5 -27.11 65.84 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.454 -0.779 . . . . 0.0 109.049 179.589 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' B' ' 54' ' ' ASP . 0.7 OUTLIER -73.03 -50.29 23.91 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.155 -0.966 . . . . 0.0 109.135 179.704 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 24.8 m -65.4 -24.1 67.12 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.082 -1.012 . . . . 0.0 108.343 179.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.461 HD11 ' HG3' ' B' ' 33' ' ' LYS . 10.5 mt -70.27 -52.75 20.6 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.672 -0.643 . . . . 0.0 109.675 179.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.81 -15.2 60.28 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.433 -0.792 . . . . 0.0 110.014 -179.478 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -79.03 -35.28 42.94 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.053 -1.029 . . . . 0.0 109.676 -179.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.434 ' O ' ' HB2' ' B' ' 29' ' ' LYS . 6.1 m-20 -139.54 48.04 1.85 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.245 -0.909 . . . . 0.0 109.666 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . 0.409 ' O ' ' HB2' ' B' ' 30' ' ' SER . . . -48.04 -25.94 4.18 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.399 -1.48 . . . . 0.0 109.399 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -101.6 44.38 1.02 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.348 -1.089 . . . . 0.0 109.426 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.456 ' O ' ' HG2' ' B' ' 28' ' ' LYS . . . -114.0 -168.6 16.47 Favored Glycine 0 N--CA 1.487 2.055 0 N-CA-C 109.691 -1.364 . . . . 0.0 109.691 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -122.38 134.65 54.62 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.362 -1.081 . . . . 0.0 109.508 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -122.37 161.79 22.78 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.31 -0.868 . . . . 0.0 109.463 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -96.71 165.17 12.26 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.231 -0.918 . . . . 0.0 109.07 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.594 ' CG ' ' N ' ' B' ' 71' ' ' GLN . 35.3 p90 -64.01 -46.58 83.87 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.036 -1.04 . . . . 0.0 109.133 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . 0.594 ' N ' ' CG ' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -65.74 -25.74 67.42 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.254 -0.904 . . . . 0.0 109.07 179.674 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.531 ' N ' ' HG3' ' B' ' 71' ' ' GLN . 0.7 OUTLIER -70.66 -68.65 0.42 Allowed 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 179.231 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.448 ' CE2' ' HG ' ' B' ' 35' ' ' LEU . 0.0 OUTLIER -48.44 -28.48 3.31 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 178.832 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' MET . . . . . 0.553 ' CE ' HD13 ' B' ' 10' ' ' LEU . 49.6 mmm -64.86 -57.73 8.06 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.488 -0.758 . . . . 0.0 109.714 -179.663 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.48 ' O ' ' HG3' ' B' ' 79' ' ' MET . . . -61.77 -22.98 65.89 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.139 -0.976 . . . . 0.0 109.055 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.586 ' CD2' HG13 ' B' ' 56' ' ' VAL . 1.1 m-85 -75.4 -32.45 60.75 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 179.505 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.536 HG11 ' CE ' ' A' ' 7' ' ' MET . 65.3 t -69.55 -26.01 30.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.51 -0.744 . . . . 0.0 109.195 179.612 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 24.4 p -78.87 -55.19 5.34 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.397 -0.814 . . . . 0.0 110.297 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' MET . . . . . 0.48 ' HG3' ' O ' ' B' ' 75' ' ' ALA . 1.1 mtt -49.02 -48.95 43.29 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.144 -0.973 . . . . 0.0 109.471 -179.334 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . 0.426 HG23 HG23 ' B' ' 36' ' ' ILE . 33.3 m -69.03 -47.99 72.28 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.417 0 O-C-N 121.379 -0.825 . . . . 0.0 110.342 -179.139 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.484 ' CG2' ' CD1' ' A' ' 11' ' ' ILE . 25.9 m -68.12 -6.12 21.38 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.052 -1.03 . . . . 0.0 109.87 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 81.5 p -119.31 -9.28 9.95 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.115 -0.991 . . . . 0.0 109.654 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . 0.402 ' HB3' ' HB ' ' B' ' 52' ' ' VAL . . . -70.74 -59.3 2.89 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.147 -0.971 . . . . 0.0 109.665 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . 0.451 ' SG ' ' O ' ' B' ' 43' ' ' PHE . 0.1 OUTLIER -44.83 154.12 0.15 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.347 -0.845 . . . . 0.0 109.653 -179.875 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.4 ' NE2' ' HE3' ' B' ' 48' ' ' LYS . 0.2 OUTLIER -69.73 149.34 48.11 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.228 -0.92 . . . . 0.0 109.334 179.833 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 65.13 -178.5 0.18 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.299 -0.876 . . . . 0.0 109.287 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . 0.688 ' CD1' ' CZ ' ' B' ' 88' ' ' PHE . 0.1 OUTLIER -154.21 -37.79 0.09 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.342 -0.849 . . . . 0.0 109.776 179.748 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.688 ' CZ ' ' CD1' ' B' ' 87' ' ' PHE . 0.0 OUTLIER -130.26 47.75 2.48 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.916 -1.115 . . . . 0.0 109.744 179.169 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.553 ' C ' ' CD2' ' B' ' 90' ' ' HIS . 2.2 tt0 -91.88 -58.24 2.47 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.944 -1.098 . . . . 0.0 109.429 179.609 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . 0.553 ' CD2' ' C ' ' B' ' 89' ' ' GLU . 2.3 p80 40.48 84.36 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.602 -0.686 . . . . 0.0 109.685 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 117.876 -1.059 . . . . 0.0 109.328 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 4.1 ptm . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 90.9 p -104.0 -174.12 2.47 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.187 -0.946 . . . . 0.0 109.513 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.534 ' HB3' ' CG2' ' B' ' 13' ' ' VAL . 0.6 OUTLIER -72.72 -47.47 46.77 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.292 -0.88 . . . . 0.0 109.596 -179.844 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.443 HD22 ' HB3' ' B' ' 39' ' ' GLU . 16.6 tp -71.77 -47.97 49.92 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.276 -0.89 . . . . 0.0 109.672 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.563 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 56.3 tt0 -54.13 -49.28 69.56 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.258 -0.901 . . . . 0.0 110.251 -179.18 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.432 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 21.1 mtpp -64.79 -38.85 92.36 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 120.578 -1.326 . . . . 0.0 110.709 -178.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.515 ' HB3' ' N ' ' B' ' 10' ' ' LEU . . . -80.11 -71.13 0.47 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.937 -1.102 . . . . 0.0 110.237 -179.409 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.485 ' HG3' HG23 ' B' ' 81' ' ' THR . 8.2 tpt -44.56 -47.43 10.24 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.406 -0.809 . . . . 0.0 110.22 -179.435 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.563 ' CG2' ' O ' ' A' ' 4' ' ' GLU . 11.1 t -70.03 -32.98 53.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.194 -0.941 . . . . 0.0 109.709 -179.45 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.511 ' CB ' ' CB ' ' B' ' 6' ' ' ALA . . . -62.81 -31.42 72.41 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.119 -0.988 . . . . 0.0 109.115 179.505 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.521 ' N ' ' HB3' ' B' ' 6' ' ' ALA . 0.4 OUTLIER -65.15 -48.57 73.07 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.262 -0.898 . . . . 0.0 108.791 179.679 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.522 ' CD1' HG23 ' B' ' 81' ' ' THR . 1.5 mp -53.83 -31.64 20.77 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.416 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -59.71 -51.62 69.0 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.324 -0.86 . . . . 0.0 109.008 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.53 ' CG2' ' HB3' ' B' ' 2' ' ' GLU . 48.3 t -49.04 -33.93 6.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.369 -0.832 . . . . 0.0 109.343 179.655 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.428 ' CE2' ' HA ' ' A' ' 70' ' ' PHE . 9.9 t80 -58.85 -47.33 85.26 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.378 -0.826 . . . . 0.0 109.892 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 23.9 t-80 -79.93 -2.32 43.29 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.23 -0.919 . . . . 0.0 109.782 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -87.62 -20.96 25.64 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.166 -0.959 . . . . 0.0 109.663 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -117.65 -32.32 4.9 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.284 -0.885 . . . . 0.0 109.799 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.19 -40.85 74.37 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.239 -0.913 . . . . 0.0 109.616 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.425 ' O ' ' N ' ' A' ' 21' ' ' GLU . . . -50.62 -40.41 40.15 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.756 -1.338 . . . . 0.0 109.756 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.528 ' O ' ' CG ' ' A' ' 21' ' ' GLU . 43.7 mtp85 -55.04 92.72 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.044 -1.268 . . . . 0.0 109.631 -179.713 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.528 ' CG ' ' O ' ' A' ' 20' ' ' ARG . 10.8 pt-20 41.47 -157.07 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.469 -0.769 . . . . 0.0 109.829 179.735 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.452 ' N ' ' HG3' ' A' ' 21' ' ' GLU . . . 93.05 -156.43 22.87 Favored Glycine 0 N--CA 1.489 2.2 0 N-CA-C 109.343 -1.503 . . . . 0.0 109.343 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.481 ' HB3' ' HG2' ' A' ' 26' ' ' LYS . 5.7 t70 -96.57 -88.62 0.28 Allowed 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.234 -1.156 . . . . 0.0 109.445 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.471 ' N ' ' OD1' ' A' ' 23' ' ' ASP . 3.6 tttt 178.77 135.9 0.09 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.159 -0.963 . . . . 0.0 110.067 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 47.29 42.57 13.88 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.441 -0.787 . . . . 0.0 109.956 179.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.481 ' HG2' ' HB3' ' A' ' 23' ' ' ASP . 0.0 OUTLIER -150.49 131.63 14.44 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.07 -1.019 . . . . 0.0 109.686 179.786 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -98.88 -160.74 0.82 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.263 -0.898 . . . . 0.0 109.346 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.407 ' O ' ' CB ' ' A' ' 32' ' ' LEU . 2.2 mtmt -149.16 -175.63 5.05 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.117 -0.989 . . . . 0.0 109.568 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.438 ' HB2' ' C ' ' A' ' 64' ' ' GLY . 30.6 mmtt -92.09 -22.1 20.09 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.271 -0.893 . . . . 0.0 109.457 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.8 t -80.25 -44.24 20.01 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.105 -0.997 . . . . 0.0 109.113 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.465 ' O ' ' HG3' ' A' ' 34' ' ' GLU . 1.1 tp10 -77.81 -23.94 48.92 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 179.152 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.486 ' O ' HG13 ' A' ' 36' ' ' ILE . 10.7 tp -75.98 -40.59 53.52 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 178.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.475 ' HB2' HD21 ' A' ' 60' ' ' LEU . 8.7 tmtt? -58.96 -45.58 90.18 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 179.041 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.557 ' HG3' ' N ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -69.91 -32.77 71.25 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 179.359 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.557 ' N ' ' HG3' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -57.0 -42.23 79.92 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-O 121.343 0.592 . . . . 0.0 109.422 179.817 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.539 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -74.28 -55.23 12.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.29 -0.882 . . . . 0.0 109.28 179.928 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.47 ' HA ' ' HB2' ' A' ' 41' ' ' SER . 53.6 t-20 -69.95 -1.45 9.7 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.21 -0.931 . . . . 0.0 110.175 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.536 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 9.9 t30 -87.87 -37.89 16.11 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.077 -1.014 . . . . 0.0 109.385 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.496 ' HG2' ' N ' ' B' ' 4' ' ' GLU . 6.9 tp10 -130.57 -37.84 1.36 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.377 -0.827 . . . . 0.0 109.26 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.539 ' CD2' ' HA ' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -71.36 -2.97 18.22 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.216 -0.928 . . . . 0.0 109.934 -179.429 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.47 ' HB2' ' HA ' ' A' ' 37' ' ' ASN . 32.1 t -80.28 -13.56 59.1 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.163 -0.96 . . . . 0.0 109.394 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -61.92 -25.35 67.53 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.299 -0.876 . . . . 0.0 109.696 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.422 ' HB2' ' SG ' ' A' ' 84' ' ' CYS . 1.3 m-85 -113.41 58.12 0.67 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.229 -0.92 . . . . 0.0 109.587 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.09 63.55 1.24 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.206 -0.934 . . . . 0.0 109.593 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -124.92 -35.36 2.69 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.275 -0.891 . . . . 0.0 109.386 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.433 ' O ' ' O ' ' A' ' 47' ' ' ILE . 3.5 mm-40 -122.65 -40.78 2.42 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.436 -0.79 . . . . 0.0 109.277 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.491 HG22 HD11 ' A' ' 47' ' ' ILE . 24.2 mt 61.54 121.83 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.367 -0.833 . . . . 0.0 109.506 179.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.558 ' HG3' ' CD2' ' A' ' 85' ' ' HIS . 2.9 tttt -96.96 -56.24 2.62 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.205 -0.935 . . . . 0.0 109.467 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.462 ' HB3' ' CG2' ' A' ' 52' ' ' VAL . 1.1 mm-40 -87.85 80.55 7.8 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.225 -0.922 . . . . 0.0 109.404 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.509 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 15.7 tm0? -59.07 -22.68 61.15 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.212 -0.93 . . . . 0.0 109.642 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -79.57 -38.03 35.02 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.306 -0.871 . . . . 0.0 109.44 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.462 ' CG2' ' HB3' ' A' ' 49' ' ' GLU . 95.7 t -64.34 -57.78 10.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.206 -0.934 . . . . 0.0 109.511 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.403 HG21 ' HB2' ' A' ' 83' ' ' ALA . 92.7 t -65.51 -29.47 47.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.227 -0.921 . . . . 0.0 109.485 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.509 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 50.1 t0 -74.14 -22.92 59.25 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.184 -0.948 . . . . 0.0 108.941 179.745 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.25 -52.83 7.26 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.392 -0.818 . . . . 0.0 109.677 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 31.5 m -65.04 -48.17 85.0 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 O-C-N 121.1 -1.0 . . . . 0.0 109.313 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 55.0 tpp -62.39 -22.73 66.37 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.224 -0.923 . . . . 0.0 108.848 179.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.462 ' HG3' ' O ' ' A' ' 54' ' ' ASP . 3.5 mt-10 -72.33 -55.5 7.02 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.462 -0.774 . . . . 0.0 109.585 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.51 -29.41 69.98 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.045 -1.035 . . . . 0.0 108.326 179.421 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.475 HD21 ' HB2' ' A' ' 33' ' ' LYS . 9.8 mt -63.58 -53.52 50.49 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 179.433 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.97 -5.72 56.21 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.547 -0.721 . . . . 0.0 109.39 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -72.24 -28.59 63.25 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.327 -0.858 . . . . 0.0 109.324 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -145.01 -58.69 0.35 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.312 -0.868 . . . . 0.0 109.825 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.438 ' C ' ' HB2' ' A' ' 29' ' ' LYS . . . 79.95 -6.96 57.69 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.731 -1.348 . . . . 0.0 109.731 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -130.39 23.58 5.15 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.252 -1.146 . . . . 0.0 109.389 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.98 178.95 43.88 Favored Glycine 0 N--CA 1.49 2.235 0 N-CA-C 109.594 -1.402 . . . . 0.0 109.594 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -106.73 140.52 39.44 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.261 -1.141 . . . . 0.0 109.466 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.3 m -115.91 157.67 24.16 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.283 -0.885 . . . . 0.0 109.509 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -101.3 -163.07 0.98 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.203 -0.936 . . . . 0.0 109.298 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.58 ' CD2' ' HG3' ' A' ' 71' ' ' GLN . 1.3 p90 -88.04 -47.53 8.45 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.218 -0.926 . . . . 0.0 109.239 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.58 ' HG3' ' CD2' ' A' ' 70' ' ' PHE . 7.5 mt-30 -70.99 -16.36 62.63 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.183 -0.948 . . . . 0.0 109.093 179.626 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.65 -59.41 2.69 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.343 -0.848 . . . . 0.0 109.054 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.58 ' O ' ' CD1' ' A' ' 73' ' ' PHE . 1.7 t80 -63.27 -19.55 64.67 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.258 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.463 ' HB2' ' O ' ' A' ' 70' ' ' PHE . 7.7 mmm -79.98 -52.44 7.84 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.285 -0.884 . . . . 0.0 109.021 179.711 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.479 ' O ' ' HG3' ' A' ' 79' ' ' MET . . . -68.65 -16.04 63.71 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.209 -0.932 . . . . 0.0 108.856 179.585 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.465 ' O ' HG23 ' A' ' 80' ' ' VAL . 1.7 m-85 -78.2 -37.69 45.02 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.475 -0.766 . . . . 0.0 109.304 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.567 HG22 ' CE1' ' A' ' 73' ' ' PHE . 78.2 t -75.33 -30.34 22.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.431 -0.793 . . . . 0.0 109.755 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.419 ' HB3' ' HE1' ' B' ' 74' ' ' MET . 37.9 m -77.13 -38.22 52.48 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.15 -0.969 . . . . 0.0 110.253 -179.455 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.479 ' HG3' ' O ' ' A' ' 75' ' ' ALA . 1.2 mmm -60.67 -50.44 73.49 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.055 -1.028 . . . . 0.0 110.395 -179.468 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.522 HG22 ' CD2' ' A' ' 40' ' ' LEU . 1.7 m -68.25 -36.2 74.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.122 -0.986 . . . . 0.0 110.487 -179.005 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.549 HG23 ' CD1' ' B' ' 11' ' ' ILE . 10.4 m -67.75 -7.79 30.25 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.989 -1.069 . . . . 0.0 110.134 -179.318 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.48 ' HB ' ' HG2' ' B' ' 71' ' ' GLN . 27.0 p -120.78 -10.54 9.14 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.914 -1.116 . . . . 0.0 109.614 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.416 ' HB3' ' HB ' ' A' ' 52' ' ' VAL . . . -90.93 47.45 1.41 Allowed 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.158 -0.964 . . . . 0.0 109.396 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.422 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 5.1 m -132.29 138.55 47.88 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.368 -0.833 . . . . 0.0 109.624 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.558 ' CD2' ' HG3' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -64.56 -64.08 0.97 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.297 -0.877 . . . . 0.0 109.413 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -84.34 103.68 13.72 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.27 -0.894 . . . . 0.0 109.621 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.667 ' CE2' ' CD1' ' A' ' 88' ' ' PHE . 0.1 OUTLIER -158.66 -167.04 2.03 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.399 -0.813 . . . . 0.0 109.038 179.744 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.667 ' CD1' ' CE2' ' A' ' 87' ' ' PHE . 2.1 m-30 64.53 47.67 2.88 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.171 -0.956 . . . . 0.0 108.436 -179.315 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.482 ' C ' ' O ' ' A' ' 88' ' ' PHE . 2.9 tt0 -30.05 89.58 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.72 0 CA-C-O 121.438 0.637 . . . . 0.0 110.939 -179.464 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.537 ' N ' ' O ' ' A' ' 88' ' ' PHE . 19.9 p80 -116.56 13.66 15.36 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.301 -0.874 . . . . 0.0 109.51 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 . . . . . 0 N--CA 1.488 1.458 0 CA-C-O 117.912 -1.042 . . . . 0.0 109.519 179.877 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 4.0 ptm . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 91.2 p -104.04 -174.11 2.47 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.323 -0.86 . . . . 0.0 109.399 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.53 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -72.7 -47.38 47.74 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.276 -0.89 . . . . 0.0 109.591 -179.835 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.457 HD21 HD12 ' A' ' 35' ' ' LEU . 16.7 tp -71.78 -48.08 49.05 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.243 -0.911 . . . . 0.0 109.693 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.563 ' O ' ' CG2' ' B' ' 8' ' ' VAL . 56.1 tt0 -54.21 -49.07 70.26 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 121.285 -0.885 . . . . 0.0 110.277 -179.115 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.433 ' O ' ' HB3' ' B' ' 9' ' ' ALA . 21.0 mtpp -64.79 -38.85 92.38 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 120.733 -1.229 . . . . 0.0 110.721 -179.023 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . 0.521 ' HB3' ' N ' ' A' ' 10' ' ' LEU . . . -80.19 -71.08 0.47 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.847 -1.158 . . . . 0.0 110.205 -179.373 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' MET . . . . . 0.497 ' SD ' ' CG1' ' A' ' 77' ' ' VAL . 8.2 tpt -44.68 -47.31 10.58 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.408 -0.808 . . . . 0.0 110.251 -179.365 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . 0.563 ' CG2' ' O ' ' B' ' 4' ' ' GLU . 11.3 t -70.14 -32.96 52.84 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.531 0 O-C-N 121.196 -0.94 . . . . 0.0 109.681 -179.466 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . 0.503 ' CB ' ' CB ' ' A' ' 6' ' ' ALA . . . -62.75 -31.38 72.31 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.162 -0.961 . . . . 0.0 109.095 179.46 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.515 ' N ' ' HB3' ' A' ' 6' ' ' ALA . 0.4 OUTLIER -65.28 -48.47 73.08 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.237 -0.914 . . . . 0.0 108.835 179.712 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.549 ' CD1' HG23 ' A' ' 81' ' ' THR . 1.5 mp -53.83 -31.6 20.72 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 O-C-N 121.23 -0.919 . . . . 0.0 108.641 179.363 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -59.7 -51.66 68.83 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.406 -0.809 . . . . 0.0 109.028 179.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . 0.534 ' CG2' ' HB3' ' A' ' 2' ' ' GLU . 48.4 t -49.04 -33.93 6.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.366 -0.834 . . . . 0.0 109.29 179.655 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.432 ' CE2' ' HA ' ' B' ' 70' ' ' PHE . 10.1 t80 -58.92 -47.24 85.74 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.303 -0.873 . . . . 0.0 109.847 -179.743 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 23.9 t-80 -79.99 -2.44 44.05 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.192 -0.943 . . . . 0.0 109.726 -179.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -87.4 -21.05 25.86 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.153 -0.967 . . . . 0.0 109.678 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -117.67 -32.3 4.9 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.169 -0.957 . . . . 0.0 109.767 -179.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.27 -40.86 74.09 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.276 -0.89 . . . . 0.0 109.553 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . 0.424 ' O ' ' N ' ' B' ' 21' ' ' GLU . . . -50.64 -40.32 40.1 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.88 -1.288 . . . . 0.0 109.88 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.521 ' O ' ' CG ' ' B' ' 21' ' ' GLU . 43.7 mtp85 -54.96 92.76 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.101 -1.234 . . . . 0.0 109.678 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.521 ' CG ' ' O ' ' B' ' 20' ' ' ARG . 10.8 pt-20 41.47 -157.08 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.366 -0.834 . . . . 0.0 109.801 179.736 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . 0.454 ' N ' ' HG3' ' B' ' 21' ' ' GLU . . . 93.13 -156.49 22.86 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.346 -1.502 . . . . 0.0 109.346 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.476 ' OD1' ' N ' ' B' ' 24' ' ' LYS . 5.7 t70 -96.65 -88.6 0.28 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.171 -1.194 . . . . 0.0 109.404 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.476 ' N ' ' OD1' ' B' ' 23' ' ' ASP . 3.5 tttt 178.85 135.89 0.09 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.082 -1.011 . . . . 0.0 110.049 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 47.27 42.58 13.83 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.375 -0.828 . . . . 0.0 109.909 179.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.473 ' HG2' ' HB3' ' B' ' 23' ' ' ASP . 0.0 OUTLIER -150.44 131.63 14.48 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.151 -0.968 . . . . 0.0 109.617 179.777 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -98.92 -160.71 0.82 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.252 -0.905 . . . . 0.0 109.282 179.782 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.405 ' O ' ' CB ' ' B' ' 32' ' ' LEU . 2.2 mtmt -149.21 -175.63 5.05 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.247 -0.908 . . . . 0.0 109.497 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.437 ' HB2' ' C ' ' B' ' 64' ' ' GLY . 30.6 mmtt -91.97 -22.33 20.07 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.22 -0.925 . . . . 0.0 109.478 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 30.8 t -80.13 -44.19 20.34 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.198 -0.939 . . . . 0.0 109.124 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.466 ' O ' ' HG3' ' B' ' 34' ' ' GLU . 1.1 tp10 -77.86 -23.98 48.68 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 179.229 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.48 ' O ' HG13 ' B' ' 36' ' ' ILE . 10.9 tp -75.77 -40.69 54.85 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 178.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.466 ' HB2' HD21 ' B' ' 60' ' ' LEU . 8.8 tmtt? -58.91 -45.64 89.81 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 179.093 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.55 ' HG3' ' N ' ' B' ' 35' ' ' LEU . 0.0 OUTLIER -69.94 -32.61 70.97 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 179.393 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.55 ' N ' ' HG3' ' B' ' 34' ' ' GLU . 0.2 OUTLIER -57.07 -42.29 80.34 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 179.826 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.534 ' HA ' ' CD2' ' B' ' 40' ' ' LEU . 0.6 OUTLIER -74.25 -55.15 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.338 -0.852 . . . . 0.0 109.304 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.475 ' HA ' ' HB2' ' B' ' 41' ' ' SER . 53.6 t-20 -69.98 -1.48 9.84 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.293 -0.88 . . . . 0.0 110.246 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.538 ' CB ' ' O ' ' B' ' 34' ' ' GLU . 9.9 t30 -87.84 -37.86 16.18 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.103 -0.998 . . . . 0.0 109.392 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.508 ' HG2' ' N ' ' A' ' 4' ' ' GLU . 6.9 tp10 -130.59 -37.77 1.36 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.396 -0.815 . . . . 0.0 109.317 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.534 ' CD2' ' HA ' ' B' ' 36' ' ' ILE . 0.0 OUTLIER -71.4 -2.93 18.2 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.36 -0.838 . . . . 0.0 109.869 -179.408 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.475 ' HB2' ' HA ' ' B' ' 37' ' ' ASN . 32.3 t -80.29 -13.53 59.12 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.155 -0.965 . . . . 0.0 109.337 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -62.04 -25.39 67.64 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.278 -0.889 . . . . 0.0 109.601 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . 0.419 ' HB2' ' SG ' ' B' ' 84' ' ' CYS . 1.3 m-85 -113.35 58.05 0.67 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.299 -0.875 . . . . 0.0 109.528 -179.746 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.07 63.54 1.23 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.172 -0.955 . . . . 0.0 109.529 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -124.88 -35.48 2.68 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.362 -0.836 . . . . 0.0 109.261 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.43 ' O ' ' O ' ' B' ' 47' ' ' ILE . 3.5 mm-40 -122.53 -40.87 2.42 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.413 -0.805 . . . . 0.0 109.338 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.446 HG22 HD11 ' B' ' 47' ' ' ILE . 23.7 mt 61.63 121.71 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.297 -0.877 . . . . 0.0 109.627 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.554 ' HG3' ' CD2' ' B' ' 85' ' ' HIS . 2.9 tttt -96.93 -56.23 2.63 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.208 -0.933 . . . . 0.0 109.507 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.463 ' HB3' ' CG2' ' B' ' 52' ' ' VAL . 1.1 mm-40 -87.84 80.54 7.81 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.184 -0.947 . . . . 0.0 109.434 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . 0.508 ' O ' ' CB ' ' B' ' 54' ' ' ASP . 15.7 tm0? -59.05 -22.7 61.14 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.236 -0.915 . . . . 0.0 109.643 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -79.6 -38.0 34.93 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.187 -0.945 . . . . 0.0 109.436 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.463 ' CG2' ' HB3' ' B' ' 49' ' ' GLU . 95.1 t -64.37 -57.82 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.36 -0.838 . . . . 0.0 109.501 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.419 HG21 ' HB2' ' B' ' 83' ' ' ALA . 92.5 t -65.36 -29.58 47.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.277 -0.89 . . . . 0.0 109.473 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . 0.508 ' CB ' ' O ' ' B' ' 50' ' ' GLN . 50.2 t0 -74.1 -22.97 59.27 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.198 -0.939 . . . . 0.0 108.994 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.25 -52.74 7.37 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.295 -0.878 . . . . 0.0 109.633 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.407 ' CG2' ' N ' ' B' ' 57' ' ' MET . 30.9 m -65.08 -48.35 84.23 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.333 0 O-C-N 121.132 -0.98 . . . . 0.0 109.211 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.407 ' N ' ' CG2' ' B' ' 56' ' ' VAL . 55.1 tpp -62.25 -22.72 66.2 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.288 -0.882 . . . . 0.0 108.82 179.353 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' B' ' 54' ' ' ASP . 3.5 mt-10 -72.39 -55.49 6.99 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.409 -0.807 . . . . 0.0 109.651 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.57 -29.41 70.0 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.95 -1.094 . . . . 0.0 108.165 179.475 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.466 HD21 ' HB2' ' B' ' 33' ' ' LYS . 9.8 mt -63.51 -53.65 48.61 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 121.564 0.697 . . . . 0.0 109.202 179.479 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.82 -5.79 56.09 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.589 -0.694 . . . . 0.0 109.408 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -72.11 -28.69 63.45 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.211 -0.931 . . . . 0.0 109.405 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -145.0 -58.76 0.35 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.303 -0.873 . . . . 0.0 109.702 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . 0.437 ' C ' ' HB2' ' B' ' 29' ' ' LYS . . . 79.91 -6.85 57.9 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.588 -1.405 . . . . 0.0 109.588 -179.742 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -130.42 23.51 5.14 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.25 -1.147 . . . . 0.0 109.458 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.96 178.9 43.88 Favored Glycine 0 N--CA 1.489 2.194 0 N-CA-C 109.641 -1.383 . . . . 0.0 109.641 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -106.68 140.47 39.49 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.235 -1.156 . . . . 0.0 109.501 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 1.3 m -115.84 157.7 24.03 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.238 -0.914 . . . . 0.0 109.557 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -101.37 -163.09 0.99 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.272 -0.893 . . . . 0.0 109.262 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.582 ' CD2' ' HG3' ' B' ' 71' ' ' GLN . 1.3 p90 -88.03 -47.52 8.46 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.189 -0.944 . . . . 0.0 109.362 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . 0.582 ' HG3' ' CD2' ' B' ' 70' ' ' PHE . 7.4 mt-30 -70.95 -16.39 62.65 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.155 -0.966 . . . . 0.0 109.058 179.553 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.56 -59.47 2.68 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.298 -0.877 . . . . 0.0 109.029 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.577 ' O ' ' CD1' ' B' ' 73' ' ' PHE . 1.7 t80 -63.24 -19.58 64.68 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.23 -0.919 . . . . 0.0 108.539 179.278 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' MET . . . . . 0.46 ' HB2' ' O ' ' B' ' 70' ' ' PHE . 7.7 mmm -79.93 -52.44 7.85 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.241 -0.912 . . . . 0.0 109.062 179.701 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.479 ' O ' ' HG3' ' B' ' 79' ' ' MET . . . -68.46 -16.18 63.81 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.384 -0.823 . . . . 0.0 108.85 179.569 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.467 ' O ' HG23 ' B' ' 80' ' ' VAL . 1.7 m-85 -78.17 -37.73 45.12 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.425 -0.797 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.565 HG22 ' CE1' ' B' ' 73' ' ' PHE . 78.5 t -75.35 -30.28 22.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.373 -0.829 . . . . 0.0 109.784 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.406 ' HB3' ' HE1' ' A' ' 74' ' ' MET . 38.7 m -77.12 -38.37 52.29 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.112 -0.992 . . . . 0.0 110.162 -179.433 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 79' ' ' MET . . . . . 0.479 ' HG3' ' O ' ' B' ' 75' ' ' ALA . 1.2 mmm -60.64 -50.45 73.45 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.116 -0.99 . . . . 0.0 110.339 -179.377 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . 0.525 HG22 ' CD2' ' B' ' 40' ' ' LEU . 1.7 m -68.15 -36.19 74.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.016 -1.053 . . . . 0.0 110.566 -178.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.522 HG23 ' CD1' ' A' ' 11' ' ' ILE . 10.5 m -67.87 -7.7 30.29 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.955 -1.091 . . . . 0.0 110.227 -179.331 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.472 ' HB ' ' HG2' ' A' ' 71' ' ' GLN . 26.6 p -120.74 -10.6 9.14 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.083 -1.011 . . . . 0.0 109.566 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . 0.419 ' HB2' HG21 ' B' ' 53' ' ' VAL . . . -90.86 47.5 1.42 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.155 -0.966 . . . . 0.0 109.292 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . 0.419 ' SG ' ' HB2' ' B' ' 43' ' ' PHE . 5.1 m -132.35 138.6 47.82 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.316 -0.865 . . . . 0.0 109.63 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.554 ' CD2' ' HG3' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -64.68 -63.98 0.99 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.325 -0.86 . . . . 0.0 109.505 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -84.4 103.59 13.7 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.154 -0.966 . . . . 0.0 109.568 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . 0.676 ' CE2' ' CD1' ' B' ' 88' ' ' PHE . 0.1 OUTLIER -158.61 -167.11 2.06 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.419 -0.801 . . . . 0.0 109.029 179.767 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.676 ' CD1' ' CE2' ' B' ' 87' ' ' PHE . 2.2 m-30 64.63 47.57 2.82 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.142 -0.974 . . . . 0.0 108.389 -179.377 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.492 ' C ' ' O ' ' B' ' 88' ' ' PHE . 2.9 tt0 -29.99 89.72 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.749 0 CA-C-O 121.365 0.602 . . . . 0.0 110.9 -179.429 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . 0.536 ' N ' ' O ' ' B' ' 88' ' ' PHE . 20.0 p80 -116.7 13.63 15.2 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.253 -0.905 . . . . 0.0 109.441 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 117.906 -1.045 . . . . 0.0 109.494 179.907 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' SER . . . . . 0.453 ' HB2' ' HG3' ' B' ' 39' ' ' GLU . 17.2 p . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.496 ' CB ' HG22 ' B' ' 13' ' ' VAL . 11.7 mm-40 -80.75 -58.36 3.14 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.232 -0.917 . . . . 0.0 110.531 -179.497 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.958 HD22 HD12 ' B' ' 35' ' ' LEU . 1.7 tp -60.31 -30.9 69.79 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.156 -0.965 . . . . 0.0 110.706 -178.662 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.6 ' O ' HG23 ' A' ' 8' ' ' VAL . 17.1 tt0 -73.01 -65.63 0.77 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.999 -1.063 . . . . 0.0 110.633 -178.84 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.487 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.5 OUTLIER -54.81 -36.79 65.33 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.782 -1.199 . . . . 0.0 109.945 -179.252 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -81.06 -69.75 0.58 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.318 -0.864 . . . . 0.0 110.672 -179.324 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.64 ' HE2' ' HA ' ' B' ' 78' ' ' SER . 11.8 tpt -48.94 -54.03 17.2 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.24 -0.913 . . . . 0.0 109.659 -179.323 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 4' ' ' GLU . 15.6 t -56.2 -33.99 38.41 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.624 0 O-C-N 121.427 -0.796 . . . . 0.0 109.79 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.487 ' HB2' ' O ' ' A' ' 5' ' ' LYS . . . -60.55 -35.6 76.41 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.093 -1.004 . . . . 0.0 108.959 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.834 HD13 ' HE1' ' A' ' 74' ' ' MET . 0.4 OUTLIER -58.83 -50.14 75.09 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.142 -0.974 . . . . 0.0 108.775 179.503 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.61 HD11 HG22 ' B' ' 81' ' ' THR . 20.6 mt -50.46 -27.22 4.29 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.279 -0.888 . . . . 0.0 108.611 179.28 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -72.12 -45.51 60.3 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.627 -0.671 . . . . 0.0 109.635 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.484 HG22 ' CB ' ' B' ' 2' ' ' GLU . 24.3 t -50.0 -46.06 23.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.388 -0.82 . . . . 0.0 109.669 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.462 ' CE2' ' HA ' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -61.18 -41.27 96.5 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.021 -1.049 . . . . 0.0 109.551 -179.688 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -69.72 -18.82 63.56 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.237 -0.914 . . . . 0.0 109.253 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 17' ' ' TYR . 28.1 tt0 -95.17 -77.94 0.46 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.327 -0.858 . . . . 0.0 109.585 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.494 ' CG ' HD21 ' A' ' 35' ' ' LEU . 5.0 m-85 -43.03 -51.89 5.51 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.346 -0.846 . . . . 0.0 109.746 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.493 1.681 0 O-C-N 121.173 -0.954 . . . . 0.0 109.559 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 . . . . . 0 N--CA 1.493 1.681 0 CA-C-O 121.156 0.503 . . . . 0.0 109.738 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.4 130.59 13.6 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.096 -1.002 . . . . 0.0 109.49 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.6 tp -98.9 -166.55 1.37 Allowed 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.281 -0.887 . . . . 0.0 109.326 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.488 ' HA ' ' HA ' ' A' ' 67' ' ' GLU . 2.7 ttmt -130.88 134.01 46.4 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.29 -0.881 . . . . 0.0 108.88 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.597 ' HD2' ' N ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -40.99 -29.99 0.12 Allowed 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.292 -0.88 . . . . 0.0 110.638 -179.152 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.597 ' N ' ' HD2' ' A' ' 29' ' ' LYS . 7.1 t -80.09 -40.87 26.69 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.849 -1.157 . . . . 0.0 110.09 -179.498 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.522 ' O ' ' HB2' ' A' ' 35' ' ' LEU . 1.1 tp10 -72.76 -16.74 61.64 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 120.938 -1.101 . . . . 0.0 108.722 179.659 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.481 ' O ' HG13 ' A' ' 36' ' ' ILE . 23.0 tp -81.54 -55.13 4.87 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 178.76 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.726 ' HG3' HD13 ' A' ' 60' ' ' LEU . 23.3 tttt -55.34 -36.35 66.17 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 178.453 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.532 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 0.1 OUTLIER -73.9 -35.81 64.69 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 179.305 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.913 HD12 HD22 ' B' ' 3' ' ' LEU . 0.1 OUTLIER -57.43 -38.96 75.24 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.579 -0.701 . . . . 0.0 109.481 179.648 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.733 HG21 HG21 ' A' ' 80' ' ' VAL . 0.7 OUTLIER -80.99 -52.88 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.429 -0.795 . . . . 0.0 110.653 -179.306 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.443 ' O ' ' OD1' ' A' ' 37' ' ' ASN . 20.8 t-20 -74.96 -1.72 23.86 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.241 -0.912 . . . . 0.0 111.038 -178.493 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.532 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 11.2 t30 -111.05 -63.77 1.36 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.833 -1.167 . . . . 0.0 109.722 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.563 ' HB3' ' CB ' ' B' ' 3' ' ' LEU . 1.0 OUTLIER -63.93 -57.24 10.37 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.224 -0.922 . . . . 0.0 109.646 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.639 HD11 ' HG2' ' B' ' 7' ' ' MET . 9.3 mt -73.68 -101.49 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.152 -0.968 . . . . 0.0 109.234 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 40' ' ' LEU . 9.6 t 39.43 88.77 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.32 -0.863 . . . . 0.0 110.027 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -167.11 -59.56 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.122 -0.986 . . . . 0.0 109.779 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.416 ' HE2' HD22 ' A' ' 40' ' ' LEU . 35.8 p90 -88.25 23.81 2.05 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.222 -0.924 . . . . 0.0 109.747 -179.65 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -87.45 125.08 34.07 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.168 -0.957 . . . . 0.0 108.857 179.497 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -130.34 -78.05 0.54 Allowed 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.228 -0.92 . . . . 0.0 109.746 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -106.95 -22.65 12.61 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.242 -0.911 . . . . 0.0 109.989 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.4 mt 61.03 88.78 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.091 -1.006 . . . . 0.0 109.158 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.5 tttt -71.64 -33.36 68.85 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.187 -0.946 . . . . 0.0 109.945 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.827 ' OE1' HG23 ' A' ' 52' ' ' VAL . 10.4 mm-40 -85.88 60.69 6.39 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.907 -1.121 . . . . 0.0 109.457 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.544 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 37.6 tt0 -54.11 -21.58 8.93 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.29 -0.881 . . . . 0.0 109.085 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -80.12 -36.04 35.89 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.322 -0.861 . . . . 0.0 109.59 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.827 HG23 ' OE1' ' A' ' 49' ' ' GLU . 63.2 t -68.76 -51.16 48.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.197 -0.939 . . . . 0.0 109.38 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.548 ' O ' ' CB ' ' A' ' 57' ' ' MET . 39.0 t -72.85 -30.5 32.96 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.292 -0.88 . . . . 0.0 109.649 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.544 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 32.9 t0 -79.78 -18.65 50.49 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.955 -1.091 . . . . 0.0 108.842 179.42 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.86 -49.15 11.41 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.346 -0.846 . . . . 0.0 109.299 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.772 HG22 ' O ' ' A' ' 52' ' ' VAL . 2.1 m -76.71 -35.48 25.12 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 O-C-N 121.194 -0.941 . . . . 0.0 108.662 179.517 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.548 ' CB ' ' O ' ' A' ' 53' ' ' VAL . 4.1 ttm -71.12 -24.85 62.37 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 179.133 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 54' ' ' ASP . 22.6 mt-10 -73.48 -55.17 6.69 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 179.317 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.474 ' O ' ' OD2' ' A' ' 63' ' ' ASP . 8.8 m -60.89 -26.98 67.81 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.135 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.726 HD13 ' HG3' ' A' ' 33' ' ' LYS . 10.5 mt -66.08 -54.13 29.5 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 179.391 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.2 -3.99 51.3 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.618 -0.676 . . . . 0.0 109.795 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -79.91 -42.71 23.57 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.134 -0.979 . . . . 0.0 110.073 -179.483 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.474 ' OD2' ' O ' ' A' ' 59' ' ' THR . 0.0 OUTLIER -94.58 -60.34 1.73 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.201 -0.937 . . . . 0.0 109.56 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.518 ' HA2' ' HD3' ' A' ' 29' ' ' LYS . . . 44.3 25.9 0.85 Allowed Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.25 -1.54 . . . . 0.0 109.25 -179.736 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 63' ' ' ASP . 22.7 t0 -143.83 -7.54 0.74 Allowed 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.309 -1.113 . . . . 0.0 110.846 -179.154 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.481 ' O ' ' HG3' ' A' ' 29' ' ' LYS . . . -115.14 -164.06 14.27 Favored Glycine 0 N--CA 1.488 2.136 0 O-C-N 120.672 -1.267 . . . . 0.0 110.238 -179.217 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.488 ' HA ' ' HA ' ' A' ' 28' ' ' LYS . 1.6 mp0 -121.46 155.28 35.24 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.407 -1.055 . . . . 0.0 109.495 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 15.1 m -99.97 165.3 11.61 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.223 -0.923 . . . . 0.0 109.598 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -102.02 -163.6 1.02 Allowed 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.205 -0.935 . . . . 0.0 109.39 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.629 ' CZ ' ' CG ' ' A' ' 71' ' ' GLN . 10.4 p90 -92.54 -33.53 14.42 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.262 -0.899 . . . . 0.0 109.229 179.753 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.629 ' CG ' ' CZ ' ' A' ' 70' ' ' PHE . 4.6 mt-30 -80.26 -23.62 40.66 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 178.66 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -78.09 -54.28 6.44 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.799 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -64.54 -19.31 65.55 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.292 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.834 ' HE1' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -78.27 -52.32 8.83 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.407 -0.808 . . . . 0.0 109.418 179.89 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.509 ' O ' ' HG3' ' A' ' 79' ' ' MET . . . -70.53 -17.54 62.94 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.266 -0.896 . . . . 0.0 108.929 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.639 ' O ' HG22 ' A' ' 80' ' ' VAL . 1.5 m-85 -80.14 -39.27 29.79 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.444 -0.785 . . . . 0.0 109.541 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.799 HG23 ' O ' ' A' ' 73' ' ' PHE . 59.8 t -71.51 -26.91 27.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 O-C-N 121.226 -0.921 . . . . 0.0 110.325 -179.576 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.618 ' HA ' ' HE2' ' B' ' 7' ' ' MET . 3.7 m -77.8 -44.39 27.62 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.09 -1.006 . . . . 0.0 110.409 -179.294 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.509 ' HG3' ' O ' ' A' ' 75' ' ' ALA . 1.9 mmm -57.58 -44.8 85.6 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.085 -1.01 . . . . 0.0 110.468 -179.221 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.733 HG21 HG21 ' A' ' 36' ' ' ILE . 2.6 m -69.98 -40.67 78.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.133 -0.98 . . . . 0.0 110.681 -178.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.645 HG21 ' HG3' ' B' ' 7' ' ' MET . 2.0 m -67.07 -8.63 31.94 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.731 -1.231 . . . . 0.0 109.304 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.566 ' HB ' ' CE2' ' B' ' 70' ' ' PHE . 10.4 p -117.2 -0.4 12.08 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.297 -0.877 . . . . 0.0 109.709 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.489 ' CB ' HG23 ' A' ' 53' ' ' VAL . . . . . . . . 0 N--CA 1.492 1.625 0 O-C-N 121.158 -0.964 . . . . 0.0 109.608 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 1' ' ' SER . . . . . 0.441 ' HB2' ' HG3' ' A' ' 39' ' ' GLU . 17.0 p . . . . . 0 N--CA 1.491 1.619 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.484 ' CB ' HG22 ' A' ' 13' ' ' VAL . 11.7 mm-40 -80.74 -58.4 3.12 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.271 -0.893 . . . . 0.0 110.617 -179.478 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.913 HD22 HD12 ' A' ' 35' ' ' LEU . 1.6 tp -60.25 -30.99 69.78 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.217 -0.927 . . . . 0.0 110.686 -178.749 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 4' ' ' GLU . . . . . 0.606 ' O ' HG23 ' B' ' 8' ' ' VAL . 17.1 tt0 -72.88 -65.81 0.75 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.911 -1.118 . . . . 0.0 110.643 -178.787 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.492 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 0.5 OUTLIER -54.85 -36.7 65.34 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.82 -1.175 . . . . 0.0 109.852 -179.198 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -81.07 -69.9 0.57 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.268 -0.895 . . . . 0.0 110.647 -179.353 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' MET . . . . . 0.645 ' HG3' HG21 ' A' ' 81' ' ' THR . 11.9 tpt -48.81 -54.17 16.24 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.28 -0.888 . . . . 0.0 109.557 -179.312 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.606 HG23 ' O ' ' B' ' 4' ' ' GLU . 15.6 t -56.12 -33.93 37.76 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 O-C-N 121.497 -0.752 . . . . 0.0 109.828 -179.726 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.492 ' HB2' ' O ' ' B' ' 5' ' ' LYS . . . -60.68 -35.64 76.77 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.069 -1.02 . . . . 0.0 108.941 179.64 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.836 HD13 ' CE ' ' B' ' 74' ' ' MET . 0.4 OUTLIER -58.72 -50.2 74.77 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.226 -0.921 . . . . 0.0 108.761 179.48 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.596 HD11 HG22 ' A' ' 81' ' ' THR . 20.7 mt -50.44 -27.26 4.29 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 179.283 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -72.08 -45.44 60.67 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.58 -0.7 . . . . 0.0 109.685 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' VAL . . . . . 0.496 HG22 ' CB ' ' A' ' 2' ' ' GLU . 24.4 t -50.02 -46.08 23.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.4 -0.812 . . . . 0.0 109.655 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.468 ' CE2' ' HA ' ' B' ' 70' ' ' PHE . 0.1 OUTLIER -61.17 -41.23 96.41 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.047 -1.033 . . . . 0.0 109.549 -179.696 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -69.72 -18.87 63.55 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.213 -0.93 . . . . 0.0 109.254 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' B' ' 17' ' ' TYR . 28.0 tt0 -95.27 -77.71 0.47 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.363 -0.836 . . . . 0.0 109.609 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.49 ' CG ' HD21 ' B' ' 35' ' ' LEU . 4.9 m-85 -43.17 -51.93 5.78 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.259 -0.901 . . . . 0.0 109.717 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.492 1.665 0 O-C-N 121.223 -0.923 . . . . 0.0 109.596 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 . . . . . 0 N--CA 1.493 1.685 0 CA-C-O 121.19 0.519 . . . . 0.0 109.834 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.39 130.74 13.73 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.176 -0.953 . . . . 0.0 109.5 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 3.6 tp -98.98 -166.54 1.37 Allowed 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.351 -0.843 . . . . 0.0 109.294 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.486 ' HA ' ' HA ' ' B' ' 67' ' ' GLU . 2.7 ttmt -130.85 134.02 46.44 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.377 -0.827 . . . . 0.0 108.973 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.587 ' HD2' ' N ' ' B' ' 30' ' ' SER . 0.0 OUTLIER -41.0 -30.01 0.12 Allowed 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.233 -0.917 . . . . 0.0 110.542 -179.131 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.587 ' N ' ' HD2' ' B' ' 29' ' ' LYS . 7.1 t -80.17 -40.91 26.34 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.916 -1.115 . . . . 0.0 110.047 -179.469 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.511 ' O ' ' HB2' ' B' ' 35' ' ' LEU . 1.1 tp10 -72.68 -16.86 61.68 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.059 -1.026 . . . . 0.0 108.642 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.474 ' O ' HG13 ' B' ' 36' ' ' ILE . 23.1 tp -81.46 -55.2 4.84 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 178.715 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.723 ' HG3' HD13 ' B' ' 60' ' ' LEU . 23.2 tttt -55.38 -36.31 66.25 Favored 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 178.464 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.53 ' O ' ' CB ' ' B' ' 38' ' ' ASN . 0.1 OUTLIER -73.9 -35.98 64.72 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 179.337 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.958 HD12 HD22 ' A' ' 3' ' ' LEU . 0.1 OUTLIER -57.44 -38.96 75.26 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.51 -0.744 . . . . 0.0 109.381 179.702 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.725 HG21 HG21 ' B' ' 80' ' ' VAL . 0.7 OUTLIER -81.04 -52.78 13.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.393 -0.817 . . . . 0.0 110.698 -179.331 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.441 ' O ' ' OD1' ' B' ' 37' ' ' ASN . 20.8 t-20 -75.12 -1.56 23.64 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.213 -0.93 . . . . 0.0 110.944 -178.471 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.53 ' CB ' ' O ' ' B' ' 34' ' ' GLU . 11.3 t30 -111.17 -63.75 1.37 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.791 -1.193 . . . . 0.0 109.723 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.551 ' HB3' ' CB ' ' A' ' 3' ' ' LEU . 1.0 OUTLIER -64.04 -57.19 10.41 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.123 -0.986 . . . . 0.0 109.501 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.628 HD11 ' HG2' ' A' ' 7' ' ' MET . 9.3 mt -73.75 -101.51 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.115 -0.991 . . . . 0.0 109.226 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.447 ' C ' ' O ' ' B' ' 40' ' ' LEU . 9.6 t 39.36 88.79 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.272 -0.892 . . . . 0.0 110.075 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -167.07 -59.66 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.244 -0.91 . . . . 0.0 109.734 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 43' ' ' PHE . . . . . 0.414 ' HE2' HD22 ' B' ' 40' ' ' LEU . 36.1 p90 -88.1 23.77 2.01 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.138 -0.976 . . . . 0.0 109.823 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -87.49 125.15 34.14 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.178 -0.952 . . . . 0.0 108.956 179.512 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -130.41 -78.12 0.54 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.291 -0.881 . . . . 0.0 109.769 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -106.93 -22.69 12.6 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.371 -0.83 . . . . 0.0 109.978 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 15.6 mt 61.11 88.8 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.105 -0.997 . . . . 0.0 109.131 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 24.7 tttt -71.74 -33.21 68.5 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.108 -0.995 . . . . 0.0 109.965 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.811 ' OE1' HG23 ' B' ' 52' ' ' VAL . 10.3 mm-40 -86.03 60.81 6.46 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.113 -0.992 . . . . 0.0 109.361 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 50' ' ' GLN . . . . . 0.555 ' O ' ' CB ' ' B' ' 54' ' ' ASP . 37.6 tt0 -54.1 -21.7 9.17 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.276 -0.89 . . . . 0.0 109.101 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -80.03 -35.97 36.47 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.286 -0.884 . . . . 0.0 109.657 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.811 HG23 ' OE1' ' B' ' 49' ' ' GLU . 63.2 t -68.77 -51.21 47.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.253 -0.905 . . . . 0.0 109.417 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.541 ' O ' ' CB ' ' B' ' 57' ' ' MET . 38.8 t -72.87 -30.49 32.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.222 -0.924 . . . . 0.0 109.594 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 54' ' ' ASP . . . . . 0.555 ' CB ' ' O ' ' B' ' 50' ' ' GLN . 32.9 t0 -79.81 -18.61 50.51 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.974 -1.079 . . . . 0.0 108.743 179.437 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.94 -49.16 11.33 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.324 -0.86 . . . . 0.0 109.319 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.778 HG22 ' O ' ' B' ' 52' ' ' VAL . 2.2 m -76.69 -35.49 25.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.132 -0.98 . . . . 0.0 108.678 179.466 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.541 ' CB ' ' O ' ' B' ' 53' ' ' VAL . 4.1 ttm -71.3 -24.75 62.2 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.158 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 58' ' ' GLU . . . . . 0.496 ' CG ' ' O ' ' B' ' 54' ' ' ASP . 22.4 mt-10 -73.48 -55.16 6.7 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.302 -0.874 . . . . 0.0 108.707 179.25 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 59' ' ' THR . . . . . 0.481 ' O ' ' OD2' ' B' ' 63' ' ' ASP . 8.5 m -60.8 -27.02 67.7 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.025 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.723 HD13 ' HG3' ' B' ' 33' ' ' LYS . 10.5 mt -66.12 -54.02 30.67 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.521 -0.737 . . . . 0.0 109.126 179.36 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.29 -3.96 51.44 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.636 -0.665 . . . . 0.0 109.725 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 72.1 tt0 -80.0 -42.63 23.47 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.125 -0.985 . . . . 0.0 109.98 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.481 ' OD2' ' O ' ' B' ' 59' ' ' THR . 0.0 OUTLIER -94.53 -60.44 1.71 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.248 -0.907 . . . . 0.0 109.691 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 64' ' ' GLY . . . . . 0.519 ' HA2' ' HD3' ' B' ' 29' ' ' LYS . . . 44.37 25.99 0.89 Allowed Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.273 -1.531 . . . . 0.0 109.273 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' B' ' 63' ' ' ASP . 22.6 t0 -143.9 -7.53 0.74 Allowed 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.306 -1.114 . . . . 0.0 110.876 -179.112 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 66' ' ' GLY . . . . . 0.472 ' O ' ' HG3' ' B' ' 29' ' ' LYS . . . -115.19 -164.14 14.27 Favored Glycine 0 N--CA 1.488 2.119 0 C-N-CA 119.697 -1.24 . . . . 0.0 110.307 -179.187 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.486 ' HA ' ' HA ' ' B' ' 28' ' ' LYS . 1.6 mp0 -121.34 155.24 35.17 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.38 -1.071 . . . . 0.0 109.494 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 14.8 m -100.03 165.31 11.59 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.157 -0.964 . . . . 0.0 109.568 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -102.01 -163.59 1.02 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.257 -0.902 . . . . 0.0 109.456 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.621 ' CZ ' ' CG ' ' B' ' 71' ' ' GLN . 10.3 p90 -92.5 -33.56 14.43 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.226 -0.921 . . . . 0.0 109.205 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.621 ' CG ' ' CZ ' ' B' ' 70' ' ' PHE . 4.6 mt-30 -80.32 -23.57 40.52 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 178.672 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -78.2 -54.19 6.51 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.796 ' O ' HG23 ' B' ' 77' ' ' VAL . 0.0 OUTLIER -64.62 -19.35 65.64 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 179.312 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.836 ' CE ' HD13 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -78.22 -52.25 8.96 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.412 -0.805 . . . . 0.0 109.478 179.861 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.506 ' O ' ' HG3' ' B' ' 79' ' ' MET . . . -70.7 -17.3 62.83 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.19 -0.944 . . . . 0.0 108.927 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.648 ' O ' HG22 ' B' ' 80' ' ' VAL . 1.5 m-85 -80.3 -39.2 29.24 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.447 -0.783 . . . . 0.0 109.586 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.796 HG23 ' O ' ' B' ' 73' ' ' PHE . 59.9 t -71.47 -26.96 27.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.294 -0.879 . . . . 0.0 110.256 -179.581 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 78' ' ' SER . . . . . 0.64 ' HA ' ' HE2' ' A' ' 7' ' ' MET . 3.7 m -77.85 -44.38 27.46 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.053 -1.03 . . . . 0.0 110.453 -179.263 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 79' ' ' MET . . . . . 0.506 ' HG3' ' O ' ' B' ' 75' ' ' ALA . 1.9 mmm -57.51 -44.82 85.34 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.069 -1.02 . . . . 0.0 110.488 -179.276 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.725 HG21 HG21 ' B' ' 36' ' ' ILE . 2.6 m -70.04 -40.65 78.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.18 -0.95 . . . . 0.0 110.687 -178.841 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.626 HG21 ' HG3' ' A' ' 7' ' ' MET . 2.0 m -67.09 -8.6 31.86 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.825 -1.172 . . . . 0.0 109.266 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.576 ' HB ' ' CE2' ' A' ' 70' ' ' PHE . 10.3 p -117.18 -0.44 12.08 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.173 -0.955 . . . . 0.0 109.655 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.488 ' CB ' HG23 ' B' ' 53' ' ' VAL . . . . . . . . 0 N--CA 1.491 1.592 0 O-C-N 121.122 -0.986 . . . . 0.0 109.716 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' SER . . . . . 0.52 ' CB ' ' OE1' ' B' ' 39' ' ' GLU . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 121.289 0.566 . . . . 0.0 109.504 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.836 ' HB3' HG22 ' B' ' 13' ' ' VAL . 4.0 tp10 -78.45 -61.01 2.14 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.257 -0.902 . . . . 0.0 109.765 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.9 HD23 ' HB2' ' B' ' 39' ' ' GLU . 4.0 tp -62.59 -53.83 48.71 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.358 -0.839 . . . . 0.0 110.181 -179.626 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.532 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 2.6 tm-20 -48.22 -35.97 12.92 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.127 -0.983 . . . . 0.0 110.253 -178.829 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.553 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -80.15 -33.36 38.55 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.965 -1.084 . . . . 0.0 109.813 -179.661 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.593 ' CB ' ' HB3' ' B' ' 9' ' ' ALA . . . -80.8 -67.78 0.74 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.23 -0.919 . . . . 0.0 110.001 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.995 ' HE2' HG12 ' B' ' 77' ' ' VAL . 7.0 tpp -46.18 -51.49 14.06 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.413 -0.804 . . . . 0.0 109.864 -179.557 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.532 ' CG2' ' O ' ' A' ' 4' ' ' GLU . 21.5 t -64.04 -31.8 54.74 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.561 0 O-C-N 121.343 -0.848 . . . . 0.0 109.746 -179.254 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.588 ' HB3' ' CB ' ' B' ' 6' ' ' ALA . . . -65.29 -34.56 78.62 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.233 -0.917 . . . . 0.0 109.448 179.736 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.799 HD22 ' SD ' ' A' ' 74' ' ' MET . 0.6 OUTLIER -63.13 -62.58 1.61 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.368 -0.833 . . . . 0.0 109.173 179.81 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.616 HD11 ' O ' ' B' ' 81' ' ' THR . 52.8 mt -46.04 -28.61 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 O-C-N 121.333 -0.854 . . . . 0.0 108.752 179.576 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 13' ' ' VAL . 15.4 t0 -62.6 -51.85 65.68 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.507 -0.746 . . . . 0.0 109.04 179.455 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.809 HG22 ' HB3' ' B' ' 2' ' ' GLU . 36.4 t -45.53 -34.26 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.275 -0.891 . . . . 0.0 109.078 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.619 ' CD1' ' CE1' ' A' ' 73' ' ' PHE . 15.3 t80 -62.31 -49.74 74.42 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.297 -0.877 . . . . 0.0 109.096 179.695 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.521 ' O ' ' CG ' ' A' ' 15' ' ' HIS . 4.0 t-80 -75.77 -4.95 43.41 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.259 -0.9 . . . . 0.0 109.038 179.624 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.493 ' HB2' ' HA ' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -74.15 -37.53 64.0 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.21 -0.931 . . . . 0.0 109.662 -179.709 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.529 ' OH ' ' CD2' ' A' ' 35' ' ' LEU . 8.7 p90 -159.61 33.02 0.19 Allowed 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.203 -0.936 . . . . 0.0 109.287 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.536 ' HA ' ' CD1' ' A' ' 27' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.56 0 O-C-N 121.29 -0.881 . . . . 0.0 109.414 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 25.6 m-70 . . . . . 0 N--CA 1.489 1.492 0 CA-C-O 121.169 0.509 . . . . 0.0 110.006 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt -122.56 125.67 46.18 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.25 -0.906 . . . . 0.0 109.433 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.536 ' CD1' ' HA ' ' A' ' 18' ' ' SER . 1.6 tp -96.89 -158.29 0.65 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.225 -0.922 . . . . 0.0 109.507 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -150.47 -173.2 4.39 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.077 -1.015 . . . . 0.0 109.771 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.477 ' HG3' ' HB2' ' A' ' 63' ' ' ASP . 14.5 mmtt -80.78 -29.41 36.15 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.237 -0.914 . . . . 0.0 109.651 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 29.6 p -80.67 -36.39 32.46 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.138 -0.976 . . . . 0.0 109.553 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.472 ' O ' ' HB2' ' A' ' 35' ' ' LEU . 2.5 tt0 -80.49 -24.86 39.15 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.151 -0.968 . . . . 0.0 108.821 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.783 HD13 ' HB2' ' A' ' 73' ' ' PHE . 50.6 tp -80.39 -42.14 23.34 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 179.177 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.534 ' HA ' HD13 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -60.63 -35.61 76.6 Favored 'General case' 0 N--CA 1.485 1.301 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.356 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.585 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 0.0 OUTLIER -80.32 -32.46 37.92 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 179.141 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.55 ' N ' ' HG3' ' A' ' 34' ' ' GLU . 0.1 OUTLIER -53.58 -48.42 69.22 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-O 121.727 0.775 . . . . 0.0 108.939 179.341 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.711 ' HA ' HD23 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -80.42 -54.35 10.86 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 O-C-N 121.595 -0.691 . . . . 0.0 110.582 -179.357 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -70.41 -0.69 8.75 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 120.827 -1.171 . . . . 0.0 112.015 -177.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.585 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 22.7 t-20 -102.91 -33.0 9.48 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.525 -1.359 . . . . 0.0 110.553 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.892 ' HB2' HD23 ' B' ' 3' ' ' LEU . 3.7 mm-40 -114.52 -26.14 8.05 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.804 -1.185 . . . . 0.0 110.605 -179.044 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.711 HD23 ' HA ' ' A' ' 36' ' ' ILE . 1.2 mm? -79.41 -52.81 7.59 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 40' ' ' LEU . 26.6 t -39.25 97.23 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.462 0 CA-C-O 121.315 0.579 . . . . 0.0 109.869 179.629 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.456 ' N ' ' O ' ' A' ' 40' ' ' LEU . 49.1 t-80 -179.59 -34.04 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.332 -0.855 . . . . 0.0 109.169 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -116.74 25.12 10.78 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.373 -0.829 . . . . 0.0 108.905 179.63 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.448 ' HG ' HD11 ' A' ' 47' ' ' ILE . 8.1 mp -97.72 115.53 28.16 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.295 -0.878 . . . . 0.0 109.56 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -125.91 -75.18 0.59 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.271 -0.893 . . . . 0.0 109.307 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.405 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 7.5 mt-10 -90.68 -45.58 8.78 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.311 -0.868 . . . . 0.0 109.498 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.448 HD11 ' HG ' ' A' ' 44' ' ' LEU . 10.2 mm 66.37 82.17 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.264 -0.898 . . . . 0.0 109.45 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.27 -34.04 72.32 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.213 -0.929 . . . . 0.0 109.628 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.944 ' OE1' HG23 ' A' ' 52' ' ' VAL . 13.4 mm-40 -85.96 61.74 7.02 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.117 -0.989 . . . . 0.0 109.215 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.472 ' O ' ' HB2' ' A' ' 54' ' ' ASP . 6.8 tt0 -55.89 -24.63 38.53 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.157 -0.964 . . . . 0.0 109.502 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.477 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 1.8 mt-10 -77.02 -32.39 57.05 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.167 -0.958 . . . . 0.0 109.7 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.944 HG23 ' OE1' ' A' ' 49' ' ' GLU . 78.4 t -69.49 -49.93 55.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.268 -0.895 . . . . 0.0 109.865 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 72.6 t -75.15 -30.52 23.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.264 -0.897 . . . . 0.0 109.438 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.472 ' HB2' ' O ' ' A' ' 50' ' ' GLN . 1.8 m-20 -79.78 -18.18 51.62 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.185 -0.947 . . . . 0.0 108.811 179.306 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.477 ' HB2' ' O ' ' A' ' 51' ' ' GLU . 7.3 tmtt? -78.47 -45.8 21.25 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.381 -0.824 . . . . 0.0 109.12 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.906 HG21 ' CG1' ' A' ' 80' ' ' VAL . 4.2 m -76.14 -38.74 35.02 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 O-C-N 121.137 -0.977 . . . . 0.0 108.892 179.435 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 47.5 tpp -68.92 -23.75 64.21 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.104 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.459 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 10.0 mt-10 -74.12 -56.88 4.4 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.377 -0.827 . . . . 0.0 109.112 179.585 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.5 m -60.32 -26.84 66.86 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.388 -0.968 . . . . 0.0 108.388 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.534 HD13 ' HA ' ' A' ' 33' ' ' LYS . 10.6 mt -67.38 -53.74 26.61 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-O 121.534 0.683 . . . . 0.0 109.438 179.606 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.83 -5.57 51.31 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.37 -0.831 . . . . 0.0 109.81 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -73.5 -57.59 3.9 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.191 -0.943 . . . . 0.0 109.692 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.477 ' HB2' ' HG3' ' A' ' 29' ' ' LYS . 0.8 OUTLIER -79.37 -64.16 1.25 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.347 -0.846 . . . . 0.0 109.454 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.444 ' O ' ' HB2' ' A' ' 29' ' ' LYS . . . 93.29 -51.74 2.44 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -125.6 32.05 5.4 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.347 -1.09 . . . . 0.0 109.356 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.92 162.9 30.34 Favored Glycine 0 N--CA 1.488 2.165 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -89.34 148.35 23.57 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.231 -1.158 . . . . 0.0 109.486 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.481 ' HB3' ' OE2' ' A' ' 72' ' ' GLU . 3.8 m -127.38 153.69 45.92 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.199 -0.938 . . . . 0.0 109.571 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -92.83 -178.0 4.7 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.25 -0.906 . . . . 0.0 109.122 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.611 ' CD2' HG22 ' B' ' 82' ' ' THR . 41.5 p90 -83.58 -28.04 28.83 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.19 -0.943 . . . . 0.0 109.962 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.61 ' HG3' ' CE2' ' A' ' 70' ' ' PHE . 3.9 mt-30 -80.12 -22.24 42.34 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.157 -0.964 . . . . 0.0 109.673 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.545 ' HG3' ' N ' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -80.41 -37.79 31.45 Favored 'General case' 0 C--N 1.307 -1.282 0 O-C-N 121.004 -1.06 . . . . 0.0 109.264 -179.738 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.791 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -78.85 -26.48 44.06 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 179.394 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.799 ' SD ' HD22 ' A' ' 10' ' ' LEU . 3.9 mmm -76.85 -45.72 27.31 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.609 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.494 ' O ' ' HG2' ' A' ' 79' ' ' MET . . . -70.66 -22.2 62.52 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 179.272 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.656 ' O ' HG22 ' A' ' 80' ' ' VAL . 1.5 m-85 -78.93 -36.87 41.11 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 179.487 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.954 HG12 ' HE2' ' B' ' 7' ' ' MET . 53.9 t -64.23 -26.09 39.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.579 -0.701 . . . . 0.0 109.498 179.741 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 79' ' ' MET . 0.1 OUTLIER -79.52 -66.14 0.91 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.331 -0.856 . . . . 0.0 110.324 -179.374 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.595 ' O ' HG11 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -43.52 -32.36 0.9 Allowed 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.168 -0.958 . . . . 0.0 110.241 -178.958 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.906 ' CG1' HG21 ' A' ' 56' ' ' VAL . 29.8 m -80.16 -46.04 22.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 120.991 -1.068 . . . . 0.0 110.14 -179.456 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.812 HG21 ' CG ' ' B' ' 7' ' ' MET . 0.6 OUTLIER -78.03 2.52 17.5 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.922 -1.111 . . . . 0.0 109.233 179.512 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.603 HG22 ' CD2' ' B' ' 70' ' ' PHE . 0.2 OUTLIER -135.94 5.77 3.1 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.332 -0.855 . . . . 0.0 109.464 -179.909 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.439 ' O ' ' HG3' ' A' ' 49' ' ' GLU . . . . . . . . 0 N--CA 1.491 1.6 0 O-C-N 121.251 -0.906 . . . . 0.0 109.419 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 1' ' ' SER . . . . . 0.513 ' CB ' ' OE1' ' A' ' 39' ' ' GLU . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.809 ' HB3' HG22 ' A' ' 13' ' ' VAL . 4.0 tp10 -78.53 -60.9 2.19 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.402 -0.811 . . . . 0.0 109.782 -179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.892 HD23 ' HB2' ' A' ' 39' ' ' GLU . 4.0 tp -62.6 -53.92 47.42 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.418 -0.801 . . . . 0.0 110.039 -179.594 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 4' ' ' GLU . . . . . 0.527 ' O ' ' CG2' ' B' ' 8' ' ' VAL . 2.6 tm-20 -48.21 -35.94 12.81 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 121.095 -1.003 . . . . 0.0 110.349 -178.773 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.546 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 0.0 OUTLIER -80.18 -33.39 38.37 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.861 -1.149 . . . . 0.0 109.797 -179.697 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.588 ' CB ' ' HB3' ' A' ' 9' ' ' ALA . . . -80.8 -67.78 0.74 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.357 -0.839 . . . . 0.0 110.0 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 7' ' ' MET . . . . . 0.954 ' HE2' HG12 ' A' ' 77' ' ' VAL . 7.0 tpp -46.17 -51.58 13.88 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.309 -0.869 . . . . 0.0 109.8 -179.555 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.527 ' CG2' ' O ' ' B' ' 4' ' ' GLU . 21.5 t -63.92 -31.91 55.07 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.601 0 O-C-N 121.365 -0.835 . . . . 0.0 109.821 -179.301 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.593 ' HB3' ' CB ' ' A' ' 6' ' ' ALA . . . -65.31 -34.47 78.41 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.133 -0.98 . . . . 0.0 109.462 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.788 HD22 ' SD ' ' B' ' 74' ' ' MET . 0.6 OUTLIER -63.21 -62.52 1.64 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.445 -0.785 . . . . 0.0 109.095 179.816 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.608 HD11 ' O ' ' A' ' 81' ' ' THR . 53.7 mt -46.1 -28.57 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.434 0 O-C-N 121.359 -0.838 . . . . 0.0 108.761 179.567 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' B' ' 13' ' ' VAL . 15.4 t0 -62.65 -51.84 65.69 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.357 -0.839 . . . . 0.0 109.082 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 13' ' ' VAL . . . . . 0.836 HG22 ' HB3' ' A' ' 2' ' ' GLU . 36.3 t -45.51 -34.36 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.283 -0.886 . . . . 0.0 109.043 179.689 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.615 ' CD1' ' CE1' ' B' ' 73' ' ' PHE . 15.3 t80 -62.15 -49.84 74.27 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.349 -0.845 . . . . 0.0 109.178 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 15' ' ' HIS . . . . . 0.525 ' O ' ' CG ' ' B' ' 15' ' ' HIS . 4.1 t-80 -75.61 -5.04 43.44 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.271 -0.893 . . . . 0.0 109.15 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.487 ' HB2' ' HA ' ' B' ' 13' ' ' VAL . 0.5 OUTLIER -73.98 -37.65 64.39 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.214 -0.929 . . . . 0.0 109.775 -179.727 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.53 ' OH ' ' CD2' ' B' ' 35' ' ' LEU . 8.7 p90 -159.57 32.97 0.19 Allowed 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.302 -0.874 . . . . 0.0 109.239 -179.745 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 18' ' ' SER . . . . . 0.54 ' HA ' ' CD1' ' B' ' 27' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.553 0 O-C-N 121.449 -0.782 . . . . 0.0 109.399 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 25.8 m-70 . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 121.257 0.551 . . . . 0.0 110.106 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -122.64 125.79 46.33 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.245 -0.909 . . . . 0.0 109.376 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.54 ' CD1' ' HA ' ' B' ' 18' ' ' SER . 1.6 tp -96.87 -158.25 0.65 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.215 -0.928 . . . . 0.0 109.53 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -150.45 -173.15 4.37 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.11 -0.994 . . . . 0.0 109.767 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.47 ' HG3' ' CB ' ' B' ' 63' ' ' ASP . 14.5 mmtt -80.82 -29.4 35.95 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.14 -0.975 . . . . 0.0 109.705 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 29.8 p -80.63 -36.48 32.54 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.124 -0.985 . . . . 0.0 109.536 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.476 ' O ' ' HB2' ' B' ' 35' ' ' LEU . 2.5 tt0 -80.57 -24.84 38.93 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.076 -1.015 . . . . 0.0 108.769 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.783 HD13 ' HB2' ' B' ' 73' ' ' PHE . 50.8 tp -80.35 -42.23 23.29 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 179.16 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.521 ' HA ' HD13 ' B' ' 60' ' ' LEU . 0.4 OUTLIER -60.57 -35.68 76.66 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 179.3 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.579 ' O ' ' CB ' ' B' ' 38' ' ' ASN . 0.0 OUTLIER -80.34 -32.44 37.86 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 179.206 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.553 ' N ' ' HG3' ' B' ' 34' ' ' GLU . 0.1 OUTLIER -53.56 -48.47 69.11 Favored 'General case' 0 C--N 1.297 -1.682 0 CA-C-O 121.735 0.778 . . . . 0.0 108.906 179.335 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.723 ' HA ' HD23 ' B' ' 40' ' ' LEU . 0.3 OUTLIER -80.45 -54.35 10.83 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 O-C-N 121.567 -0.708 . . . . 0.0 110.507 -179.246 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -70.52 -0.65 8.91 Favored 'General case' 0 C--N 1.294 -1.841 0 O-C-N 120.72 -1.238 . . . . 0.0 111.946 -177.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.579 ' CB ' ' O ' ' B' ' 34' ' ' GLU . 22.7 t-20 -102.94 -33.02 9.46 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.558 -1.339 . . . . 0.0 110.478 -179.666 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.9 ' HB2' HD23 ' A' ' 3' ' ' LEU . 3.7 mm-40 -114.57 -26.15 8.03 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.894 -1.129 . . . . 0.0 110.586 -179.015 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.723 HD23 ' HA ' ' B' ' 36' ' ' ILE . 1.2 mm? -79.42 -52.85 7.53 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 -179.728 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.446 ' C ' ' O ' ' B' ' 40' ' ' LEU . 26.8 t -39.2 97.18 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 CA-C-O 121.284 0.564 . . . . 0.0 109.9 179.627 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 42' ' ' HIS . . . . . 0.458 ' N ' ' O ' ' B' ' 40' ' ' LEU . 49.1 t-80 -179.58 -34.03 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.406 -0.809 . . . . 0.0 109.105 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -116.68 25.1 10.81 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.369 -0.832 . . . . 0.0 108.99 179.645 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.448 ' HG ' HD11 ' B' ' 47' ' ' ILE . 8.0 mp -97.7 115.56 28.2 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.406 -0.809 . . . . 0.0 109.539 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -125.89 -75.11 0.59 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.33 -0.856 . . . . 0.0 109.413 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' GLU . . . . . 0.406 ' O ' ' HB ' ' B' ' 47' ' ' ILE . 7.5 mt-10 -90.69 -45.66 8.73 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.379 -0.826 . . . . 0.0 109.483 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.448 HD11 ' HG ' ' B' ' 44' ' ' LEU . 10.1 mm 66.39 82.28 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.23 -0.919 . . . . 0.0 109.433 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.4 -34.04 72.07 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.238 -0.914 . . . . 0.0 109.57 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.932 ' OE1' HG23 ' B' ' 52' ' ' VAL . 13.6 mm-40 -85.9 61.62 6.96 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.077 -1.014 . . . . 0.0 109.235 179.722 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 50' ' ' GLN . . . . . 0.474 ' O ' ' HB2' ' B' ' 54' ' ' ASP . 6.8 tt0 -55.84 -24.63 37.67 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.182 -0.949 . . . . 0.0 109.434 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.483 ' O ' ' HB2' ' B' ' 55' ' ' LYS . 1.8 mt-10 -76.96 -32.4 57.26 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.236 -0.915 . . . . 0.0 109.708 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.932 HG23 ' OE1' ' B' ' 49' ' ' GLU . 79.0 t -69.47 -50.0 54.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.214 -0.929 . . . . 0.0 109.882 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 72.7 t -75.16 -30.43 23.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.074 -1.017 . . . . 0.0 109.45 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' ASP . . . . . 0.474 ' HB2' ' O ' ' B' ' 50' ' ' GLN . 1.8 m-20 -79.93 -18.17 51.18 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.288 -0.883 . . . . 0.0 108.681 179.318 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 55' ' ' LYS . . . . . 0.483 ' HB2' ' O ' ' B' ' 51' ' ' GLU . 7.4 tmtt? -78.4 -45.74 21.6 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.348 -0.845 . . . . 0.0 109.139 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.916 HG21 ' CG1' ' B' ' 80' ' ' VAL . 4.3 m -76.28 -38.61 33.73 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.364 0 O-C-N 121.155 -0.966 . . . . 0.0 108.887 179.445 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 47.4 tpp -69.03 -23.7 64.1 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 179.189 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' GLU . . . . . 0.45 ' HB2' ' O ' ' B' ' 54' ' ' ASP . 10.1 mt-10 -74.09 -56.95 4.31 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.44 -0.787 . . . . 0.0 109.092 179.559 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.3 m -60.24 -26.81 66.72 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.132 -0.98 . . . . 0.0 108.399 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.521 HD13 ' HA ' ' B' ' 33' ' ' LYS . 10.5 mt -67.57 -53.59 27.01 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.631 -0.668 . . . . 0.0 109.486 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.94 -5.49 51.31 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.494 -0.754 . . . . 0.0 109.724 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -73.5 -57.69 3.83 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.2 -0.938 . . . . 0.0 109.618 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.47 ' CB ' ' HG3' ' B' ' 29' ' ' LYS . 0.8 OUTLIER -79.31 -64.17 1.25 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.358 -0.839 . . . . 0.0 109.489 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 64' ' ' GLY . . . . . 0.45 ' O ' ' HB2' ' B' ' 29' ' ' LYS . . . 93.31 -51.83 2.44 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.549 -1.421 . . . . 0.0 109.549 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -125.53 31.92 5.44 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.354 -1.086 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.82 162.89 30.46 Favored Glycine 0 N--CA 1.489 2.183 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -89.28 148.27 23.66 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.363 -1.081 . . . . 0.0 109.509 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.481 ' HB3' ' OE2' ' B' ' 72' ' ' GLU . 3.8 m -127.34 153.74 45.82 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.165 -0.959 . . . . 0.0 109.556 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -92.83 -177.97 4.69 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.351 -0.843 . . . . 0.0 109.089 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.603 ' CD2' HG22 ' A' ' 82' ' ' THR . 41.7 p90 -83.71 -28.05 28.55 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.08 -1.013 . . . . 0.0 109.805 -179.59 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.602 ' HG3' ' CE2' ' B' ' 70' ' ' PHE . 3.9 mt-30 -80.09 -22.14 42.55 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.048 -1.033 . . . . 0.0 109.705 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.55 ' HG3' ' N ' ' B' ' 73' ' ' PHE . 0.0 OUTLIER -80.47 -37.87 31.03 Favored 'General case' 0 C--N 1.306 -1.29 0 O-C-N 120.946 -1.096 . . . . 0.0 109.263 -179.755 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.79 ' O ' HG23 ' B' ' 77' ' ' VAL . 0.0 OUTLIER -78.78 -26.55 44.44 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 179.4 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.788 ' SD ' HD22 ' B' ' 10' ' ' LEU . 3.9 mmm -76.82 -45.76 27.39 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.59 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.497 ' O ' ' HG2' ' B' ' 79' ' ' MET . . . -70.62 -22.2 62.55 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 179.321 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.65 ' O ' HG22 ' B' ' 80' ' ' VAL . 1.5 m-85 -78.92 -36.95 41.06 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 179.493 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.995 HG12 ' HE2' ' A' ' 7' ' ' MET . 54.0 t -64.14 -26.13 39.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.633 -0.667 . . . . 0.0 109.418 179.69 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 78' ' ' SER . . . . . 0.402 ' HA ' ' HE3' ' A' ' 7' ' ' MET . 0.1 OUTLIER -79.58 -66.11 0.92 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.198 -0.939 . . . . 0.0 110.399 -179.376 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 79' ' ' MET . . . . . 0.594 ' O ' HG11 ' B' ' 52' ' ' VAL . 0.0 OUTLIER -43.55 -32.22 0.88 Allowed 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.191 -0.943 . . . . 0.0 110.262 -178.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.916 ' CG1' HG21 ' B' ' 56' ' ' VAL . 29.9 m -80.16 -46.17 22.09 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.04 -1.037 . . . . 0.0 110.134 -179.46 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.814 HG21 ' CG ' ' A' ' 7' ' ' MET . 0.6 OUTLIER -77.93 2.35 17.72 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.108 -0.995 . . . . 0.0 109.132 179.554 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.611 HG22 ' CD2' ' A' ' 70' ' ' PHE . 0.2 OUTLIER -135.86 5.86 3.12 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.31 -0.869 . . . . 0.0 109.462 -179.85 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.445 ' O ' ' HG3' ' B' ' 49' ' ' GLU . . . . . . . . 0 N--CA 1.49 1.532 0 O-C-N 121.265 -0.897 . . . . 0.0 109.52 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.489 1.514 0 CA-C-O 121.333 0.587 . . . . 0.0 109.479 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.572 ' HB3' ' CG2' ' B' ' 13' ' ' VAL . 1.3 tp10 -79.62 -29.79 41.18 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.239 -0.913 . . . . 0.0 109.74 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.837 HD13 HG11 ' B' ' 13' ' ' VAL . 5.3 tp -73.99 -42.01 61.06 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.199 -0.938 . . . . 0.0 109.841 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.628 ' O ' HG23 ' A' ' 8' ' ' VAL . 2.3 tm-20 -73.09 -51.64 17.27 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.294 -0.879 . . . . 0.0 110.046 -179.501 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.661 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -66.43 -31.15 71.73 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.035 -1.041 . . . . 0.0 110.37 -179.416 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.53 ' CB ' ' O ' ' A' ' 2' ' ' GLU . . . -80.31 -63.25 1.45 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.084 -1.01 . . . . 0.0 110.365 -179.318 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.539 ' CG ' HG21 ' B' ' 81' ' ' THR . 14.3 tpp -53.49 -52.66 58.84 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.153 -0.967 . . . . 0.0 109.819 -179.283 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 4' ' ' GLU . 10.8 t -61.8 -28.08 43.52 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.597 0 O-C-N 121.262 -0.899 . . . . 0.0 109.464 -179.499 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.661 ' HB2' ' O ' ' A' ' 5' ' ' LYS . . . -65.96 -39.1 90.12 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.142 -0.974 . . . . 0.0 108.921 179.339 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.739 HD22 ' HE2' ' A' ' 74' ' ' MET . 0.1 OUTLIER -59.53 -28.36 67.02 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.344 -0.847 . . . . 0.0 109.017 179.783 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.527 ' CD1' ' N ' ' A' ' 11' ' ' ILE . 1.3 mp -70.88 -31.8 46.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 179.167 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.462 ' HB3' ' HG2' ' B' ' 2' ' ' GLU . 10.8 t70 -64.35 -57.89 8.04 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.479 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.863 HG11 HD13 ' B' ' 3' ' ' LEU . 0.5 OUTLIER -55.95 -56.83 10.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 179.417 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.649 ' N ' HG12 ' A' ' 13' ' ' VAL . 40.0 t80 -43.1 -34.42 1.06 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.592 -0.692 . . . . 0.0 109.951 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 26.2 t-80 -73.7 -49.07 27.51 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.114 -0.992 . . . . 0.0 109.319 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.79 -34.83 41.62 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.444 -0.785 . . . . 0.0 109.396 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.631 ' CD2' HD21 ' A' ' 35' ' ' LEU . 51.6 m-85 -81.84 -35.08 29.77 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.441 -0.787 . . . . 0.0 109.78 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.492 1.628 0 O-C-N 121.236 -0.915 . . . . 0.0 109.602 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 2.6 m80 . . . . . 0 N--CA 1.491 1.625 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.491 ' CD ' ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -143.77 122.88 12.89 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.128 -0.983 . . . . 0.0 109.656 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.7 mt -98.31 -161.37 0.87 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.227 -0.921 . . . . 0.0 109.222 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.463 ' O ' ' CB ' ' A' ' 32' ' ' LEU . 33.4 mtpt -141.96 -174.5 4.1 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.125 -0.984 . . . . 0.0 109.458 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.5 mmtp -89.19 -25.76 21.61 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.164 -0.96 . . . . 0.0 109.308 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 29.3 p -80.4 -46.04 16.67 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.331 -0.856 . . . . 0.0 109.472 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.465 ' O ' ' HB2' ' A' ' 35' ' ' LEU . 14.1 tt0 -74.81 -22.94 58.44 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 179.554 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.662 HD13 ' HD1' ' A' ' 73' ' ' PHE . 16.6 tp -77.62 -44.21 29.03 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 178.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.704 ' HG3' HD13 ' A' ' 60' ' ' LEU . 38.9 tttm -57.08 -41.67 79.24 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 179.159 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.545 ' HG3' ' N ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -74.77 -32.9 62.18 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 179.484 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.848 ' CD1' HD22 ' B' ' 3' ' ' LEU . 0.1 OUTLIER -56.24 -42.89 78.07 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-O 121.245 0.545 . . . . 0.0 109.738 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.957 ' CG2' HG21 ' A' ' 80' ' ' VAL . 0.3 OUTLIER -81.16 -48.98 18.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.357 -0.839 . . . . 0.0 110.46 -179.37 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.485 ' HA ' ' HB2' ' A' ' 41' ' ' SER . 50.5 t-20 -77.33 0.5 22.06 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.959 -1.088 . . . . 0.0 111.384 -178.329 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.528 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 10.1 t30 -113.35 -72.74 0.69 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.746 -1.222 . . . . 0.0 110.194 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.525 ' HB3' ' HB3' ' B' ' 3' ' ' LEU . 87.7 mt-10 -85.14 12.5 7.73 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.112 -0.993 . . . . 0.0 109.848 -179.444 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.662 HD23 HD23 ' B' ' 3' ' ' LEU . 0.2 OUTLIER -128.73 -32.31 2.13 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.315 -0.866 . . . . 0.0 109.318 179.845 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.485 ' HB2' ' HA ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -71.74 81.54 0.87 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.357 -0.839 . . . . 0.0 109.67 179.703 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -124.88 -12.55 7.04 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.157 -0.964 . . . . 0.0 109.284 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.813 ' HZ ' HG23 ' A' ' 81' ' ' THR . 5.0 p90 -138.53 27.81 2.49 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.242 -0.911 . . . . 0.0 109.06 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.796 HD21 HD11 ' A' ' 47' ' ' ILE . 1.5 tt -99.24 145.01 27.7 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.355 -0.84 . . . . 0.0 109.536 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -170.72 -33.71 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.275 -0.891 . . . . 0.0 109.783 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.463 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 0.2 OUTLIER -125.71 -37.49 2.31 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.134 -0.979 . . . . 0.0 108.711 179.825 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.796 HD11 HD21 ' A' ' 44' ' ' LEU . 66.9 mt 64.0 112.27 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.155 -0.965 . . . . 0.0 109.415 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -89.71 -44.86 9.73 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.197 -0.939 . . . . 0.0 109.477 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.558 ' OE1' HG23 ' A' ' 52' ' ' VAL . 12.3 mm-40 -79.46 77.66 6.01 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.065 -1.022 . . . . 0.0 109.311 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.544 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 6.4 tt0 -60.72 -22.63 64.18 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.259 -0.9 . . . . 0.0 109.544 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.469 ' O ' ' HE2' ' A' ' 55' ' ' LYS . 3.9 mt-10 -80.15 -36.18 35.51 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.26 -0.9 . . . . 0.0 109.955 -179.607 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.558 HG23 ' OE1' ' A' ' 49' ' ' GLU . 90.9 t -72.76 -43.9 60.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.189 -0.944 . . . . 0.0 109.83 -179.582 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.653 HG23 ' HB1' ' A' ' 83' ' ' ALA . 45.7 t -77.27 -26.32 15.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.138 -0.976 . . . . 0.0 109.13 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.544 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 15.2 t70 -77.73 -27.64 50.61 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.319 -0.863 . . . . 0.0 109.516 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.546 ' HG3' ' N ' ' A' ' 56' ' ' VAL . 1.6 ptpt -80.44 -44.8 18.67 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.071 -1.018 . . . . 0.0 109.768 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.6 HG21 ' CG1' ' A' ' 80' ' ' VAL . 35.5 m -73.79 -46.25 47.6 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.306 0 O-C-N 120.969 -1.082 . . . . 0.0 108.59 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.576 ' N ' HG23 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -62.97 -25.11 68.22 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 179.128 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.478 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 17.3 mt-10 -75.06 -56.66 4.52 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.303 -0.873 . . . . 0.0 108.867 179.509 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -56.42 -26.26 52.89 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 179.127 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.704 HD13 ' HG3' ' A' ' 33' ' ' LYS . 11.0 mt -68.71 -57.12 6.12 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.7 1.57 29.59 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.441 -0.787 . . . . 0.0 109.781 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -80.36 -51.68 8.58 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.172 -0.955 . . . . 0.0 109.792 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.76 -60.38 1.83 Allowed 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.321 -0.862 . . . . 0.0 109.603 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.07 -53.04 4.61 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.454 -1.459 . . . . 0.0 109.454 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -108.42 32.8 4.55 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.203 -1.175 . . . . 0.0 109.425 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.95 -179.57 44.42 Favored Glycine 0 N--CA 1.488 2.158 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.43 ' HA ' ' HA ' ' A' ' 28' ' ' LYS . 0.8 OUTLIER -122.62 129.47 51.91 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.186 -1.185 . . . . 0.0 109.594 -179.88 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.616 ' SG ' HD22 ' A' ' 32' ' ' LEU . 1.3 m -97.04 153.15 18.1 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.283 -0.886 . . . . 0.0 109.242 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -89.83 -161.82 0.82 Allowed 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.288 -0.883 . . . . 0.0 109.249 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -91.72 -44.97 8.69 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.074 -1.016 . . . . 0.0 109.116 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.865 ' HB3' HG21 ' B' ' 82' ' ' THR . 0.0 OUTLIER -75.53 -20.67 58.55 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.246 -0.909 . . . . 0.0 109.012 179.567 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.497 ' N ' ' HG3' ' A' ' 71' ' ' GLN . 0.7 OUTLIER -76.78 -55.89 5.09 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.431 -0.793 . . . . 0.0 109.162 179.729 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.662 ' HD1' HD13 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -60.78 -22.3 63.96 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.256 -0.902 . . . . 0.0 108.97 179.618 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.739 ' HE2' HD22 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -79.06 -51.55 9.42 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.334 -0.854 . . . . 0.0 109.734 -179.789 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.485 ' O ' ' HG3' ' A' ' 79' ' ' MET . . . -69.07 -14.54 63.08 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.355 -0.841 . . . . 0.0 109.184 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.453 ' O ' HG22 ' A' ' 80' ' ' VAL . 0.1 OUTLIER -79.9 -33.91 39.5 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.364 -0.835 . . . . 0.0 109.368 179.817 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.625 HG13 ' HG ' ' A' ' 40' ' ' LEU . 59.4 t -74.7 -26.85 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.38 -0.825 . . . . 0.0 109.552 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 52.9 m -77.66 -37.78 49.11 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.216 -0.928 . . . . 0.0 110.642 -179.398 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.485 ' HG3' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -66.86 -33.73 76.25 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.982 -1.074 . . . . 0.0 110.503 -179.047 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.957 HG21 ' CG2' ' A' ' 36' ' ' ILE . 6.7 m -80.32 -39.26 18.81 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 120.974 -1.078 . . . . 0.0 109.895 -179.494 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.813 HG23 ' HZ ' ' A' ' 43' ' ' PHE . 3.1 m -62.03 -15.47 44.68 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.007 -1.058 . . . . 0.0 108.65 179.195 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.904 HG21 ' HB3' ' B' ' 71' ' ' GLN . 87.3 m -103.91 -15.65 15.59 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.568 -0.707 . . . . 0.0 109.386 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.653 ' HB1' HG23 ' A' ' 53' ' ' VAL . . . . . . . . 0 N--CA 1.489 1.483 0 O-C-N 121.391 -0.818 . . . . 0.0 109.822 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 121.32 0.581 . . . . 0.0 109.463 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.556 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 1.3 tp10 -79.65 -29.82 41.05 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.257 -0.902 . . . . 0.0 109.743 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.863 HD13 HG11 ' A' ' 13' ' ' VAL . 5.3 tp -74.05 -41.73 61.32 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.283 -0.885 . . . . 0.0 109.755 -179.653 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 4' ' ' GLU . . . . . 0.632 ' O ' HG23 ' B' ' 8' ' ' VAL . 2.3 tm-20 -73.32 -51.53 17.17 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.245 -0.91 . . . . 0.0 110.01 -179.369 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.654 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 0.0 OUTLIER -66.62 -31.11 71.59 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.073 -1.017 . . . . 0.0 110.224 -179.315 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.539 ' CB ' ' HB3' ' A' ' 9' ' ' ALA . . . -80.33 -63.29 1.44 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.188 -0.945 . . . . 0.0 110.348 -179.237 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 7' ' ' MET . . . . . 0.51 ' CG ' HG21 ' A' ' 81' ' ' THR . 14.4 tpp -53.46 -52.72 58.59 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.252 -0.905 . . . . 0.0 109.829 -179.291 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.632 HG23 ' O ' ' B' ' 4' ' ' GLU . 10.7 t -61.64 -28.21 43.66 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.534 0 O-C-N 121.238 -0.914 . . . . 0.0 109.489 -179.629 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.654 ' HB2' ' O ' ' B' ' 5' ' ' LYS . . . -65.93 -39.16 90.26 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.212 -0.93 . . . . 0.0 108.991 179.368 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.694 HD22 ' HE2' ' B' ' 74' ' ' MET . 0.1 OUTLIER -59.38 -28.43 66.88 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.349 -0.844 . . . . 0.0 108.923 179.811 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.517 ' CD1' ' N ' ' B' ' 11' ' ' ILE . 1.2 mp -70.81 -31.93 47.31 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 179.177 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.428 ' HB3' ' HG2' ' A' ' 2' ' ' GLU . 10.8 t70 -64.38 -57.77 8.38 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.458 -0.776 . . . . 0.0 108.977 179.46 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 13' ' ' VAL . . . . . 0.837 HG11 HD13 ' A' ' 3' ' ' LEU . 0.5 OUTLIER -56.0 -56.9 10.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 179.397 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.646 ' N ' HG12 ' B' ' 13' ' ' VAL . 40.0 t80 -43.12 -34.36 1.06 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.592 -0.693 . . . . 0.0 109.867 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 26.1 t-80 -73.79 -49.02 27.3 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.191 -0.943 . . . . 0.0 109.398 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.77 -34.88 41.61 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.452 -0.78 . . . . 0.0 109.518 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.627 ' CE2' HD21 ' B' ' 35' ' ' LEU . 51.5 m-85 -81.81 -35.16 29.79 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.456 -0.777 . . . . 0.0 109.7 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.52 0 O-C-N 121.331 -0.856 . . . . 0.0 109.662 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 2.5 m80 . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.484 ' CD ' ' O ' ' B' ' 26' ' ' LYS . 0.0 OUTLIER -143.77 122.92 12.91 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.226 -0.921 . . . . 0.0 109.727 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.8 mt -98.34 -161.54 0.88 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.359 -0.838 . . . . 0.0 109.28 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.466 ' O ' ' CB ' ' B' ' 32' ' ' LEU . 33.6 mtpt -141.81 -174.4 4.06 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.166 -0.959 . . . . 0.0 109.587 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 2.5 mmtp -89.29 -25.72 21.53 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.035 -1.041 . . . . 0.0 109.248 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 29.1 p -80.58 -46.0 16.44 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.284 -0.885 . . . . 0.0 109.45 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.465 ' O ' ' HB2' ' B' ' 35' ' ' LEU . 14.0 tt0 -74.89 -22.95 58.34 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.53 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.662 HD13 ' HD1' ' B' ' 73' ' ' PHE . 16.8 tp -77.55 -44.23 29.25 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 178.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.701 ' HG3' HD13 ' B' ' 60' ' ' LEU . 38.8 tttm -57.19 -41.67 79.8 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 179.173 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.548 ' HG3' ' N ' ' B' ' 35' ' ' LEU . 0.0 OUTLIER -74.76 -32.92 62.2 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.596 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.835 ' CD1' HD22 ' A' ' 3' ' ' LEU . 0.1 OUTLIER -56.4 -42.86 78.66 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.818 -0.552 . . . . 0.0 109.623 -179.907 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.96 ' CG2' HG21 ' B' ' 80' ' ' VAL . 0.3 OUTLIER -81.07 -48.99 18.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.387 -0.821 . . . . 0.0 110.542 -179.425 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.474 ' HA ' ' HB2' ' B' ' 41' ' ' SER . 50.3 t-20 -77.38 0.42 22.49 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.038 -1.039 . . . . 0.0 111.266 -178.317 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.537 ' CB ' ' O ' ' B' ' 34' ' ' GLU . 10.0 t30 -113.26 -72.93 0.68 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.636 -1.29 . . . . 0.0 110.235 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.49 ' HB3' ' HB3' ' A' ' 3' ' ' LEU . 87.7 mt-10 -85.04 12.54 7.48 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.162 -0.962 . . . . 0.0 109.856 -179.443 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.697 HD23 ' CD2' ' A' ' 3' ' ' LEU . 0.2 OUTLIER -128.85 -32.32 2.11 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.231 -0.918 . . . . 0.0 109.227 179.868 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.474 ' HB2' ' HA ' ' B' ' 37' ' ' ASN . 0.2 OUTLIER -71.85 81.6 0.9 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.346 -0.846 . . . . 0.0 109.61 179.784 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 7.6 t-80 -124.83 -12.48 7.07 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.172 -0.955 . . . . 0.0 109.226 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' PHE . . . . . 0.813 ' HZ ' HG23 ' B' ' 81' ' ' THR . 5.0 p90 -138.55 27.8 2.49 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.228 -0.92 . . . . 0.0 109.066 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.8 HD21 HD11 ' B' ' 47' ' ' ILE . 1.5 tt -99.23 145.16 27.54 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.325 -0.86 . . . . 0.0 109.614 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -170.81 -33.87 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.329 -0.857 . . . . 0.0 109.819 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 46' ' ' GLU . . . . . 0.46 ' O ' ' HB ' ' B' ' 47' ' ' ILE . 0.3 OUTLIER -125.73 -37.49 2.31 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.133 -0.979 . . . . 0.0 108.707 179.896 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.8 HD11 HD21 ' B' ' 44' ' ' LEU . 67.2 mt 63.9 112.43 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.263 -0.898 . . . . 0.0 109.388 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -89.78 -44.86 9.69 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.155 -0.965 . . . . 0.0 109.459 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.563 ' OE1' HG23 ' B' ' 52' ' ' VAL . 12.3 mm-40 -79.44 77.67 5.99 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.199 -0.938 . . . . 0.0 109.324 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 50' ' ' GLN . . . . . 0.538 ' O ' ' CB ' ' B' ' 54' ' ' ASP . 6.4 tt0 -60.79 -22.56 64.24 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.307 -0.87 . . . . 0.0 109.577 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.477 ' O ' ' HE2' ' B' ' 55' ' ' LYS . 3.9 mt-10 -80.13 -36.19 35.63 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.292 -0.88 . . . . 0.0 109.938 -179.636 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.563 HG23 ' OE1' ' B' ' 49' ' ' GLU . 91.7 t -72.75 -43.91 60.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.053 -1.03 . . . . 0.0 109.847 -179.57 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.644 HG23 ' HB1' ' B' ' 83' ' ' ALA . 45.4 t -77.47 -26.08 15.18 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.51 0 O-C-N 121.083 -1.011 . . . . 0.0 109.179 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 54' ' ' ASP . . . . . 0.538 ' CB ' ' O ' ' B' ' 50' ' ' GLN . 15.1 t70 -77.82 -27.65 50.04 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.41 -0.806 . . . . 0.0 109.409 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 55' ' ' LYS . . . . . 0.539 ' HG3' ' N ' ' B' ' 56' ' ' VAL . 1.6 ptpt -80.38 -44.85 18.71 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.117 -0.989 . . . . 0.0 109.879 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.601 HG21 ' CG1' ' B' ' 80' ' ' VAL . 35.5 m -73.79 -46.19 47.77 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 O-C-N 120.79 -1.194 . . . . 0.0 108.651 179.63 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.584 ' N ' HG23 ' B' ' 56' ' ' VAL . 0.0 OUTLIER -62.99 -25.18 68.26 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.091 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 58' ' ' GLU . . . . . 0.471 ' CG ' ' O ' ' B' ' 54' ' ' ASP . 17.2 mt-10 -74.95 -56.58 4.61 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.298 -0.876 . . . . 0.0 108.847 179.536 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -56.62 -26.18 55.13 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 179.152 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.701 HD13 ' HG3' ' B' ' 33' ' ' LYS . 10.9 mt -68.72 -57.07 6.18 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.574 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.84 1.71 29.51 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.512 -0.742 . . . . 0.0 109.734 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -80.38 -51.65 8.6 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.208 -0.933 . . . . 0.0 109.717 -179.61 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.88 -60.34 1.83 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.338 -0.851 . . . . 0.0 109.663 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.17 -53.23 4.61 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -108.26 32.68 4.61 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.126 -1.22 . . . . 0.0 109.404 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.82 -179.58 44.6 Favored Glycine 0 N--CA 1.489 2.173 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.432 ' HA ' ' HA ' ' B' ' 28' ' ' LYS . 0.8 OUTLIER -122.58 129.61 52.11 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.231 -1.158 . . . . 0.0 109.589 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.618 ' SG ' HD22 ' B' ' 32' ' ' LEU . 1.3 m -97.15 153.21 18.12 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.348 -0.845 . . . . 0.0 109.246 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -89.86 -161.81 0.82 Allowed 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.277 -0.889 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -91.73 -45.01 8.66 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.234 -0.916 . . . . 0.0 109.013 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.904 ' HB3' HG21 ' A' ' 82' ' ' THR . 0.0 OUTLIER -75.54 -20.57 58.58 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.194 -0.941 . . . . 0.0 109.061 179.647 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.488 ' N ' ' HG3' ' B' ' 71' ' ' GLN . 0.7 OUTLIER -76.83 -55.82 5.14 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.48 -0.763 . . . . 0.0 109.23 179.658 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.662 ' HD1' HD13 ' B' ' 32' ' ' LEU . 0.1 OUTLIER -60.86 -22.31 64.12 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.319 -0.863 . . . . 0.0 108.891 179.602 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.694 ' HE2' HD22 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -79.1 -51.6 9.33 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.246 -0.909 . . . . 0.0 109.676 -179.772 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.471 ' O ' ' HG3' ' B' ' 79' ' ' MET . . . -68.98 -14.64 63.16 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.294 -0.879 . . . . 0.0 109.177 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.458 ' O ' HG22 ' B' ' 80' ' ' VAL . 0.1 OUTLIER -79.77 -34.02 40.13 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.433 -0.792 . . . . 0.0 109.408 179.866 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.623 HG13 ' HG ' ' B' ' 40' ' ' LEU . 59.0 t -74.61 -26.94 20.35 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.475 0 O-C-N 121.394 -0.816 . . . . 0.0 109.475 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 78' ' ' SER . . . . . 0.441 ' HA ' ' CE ' ' A' ' 7' ' ' MET . 53.0 m -77.62 -37.99 48.97 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.289 -0.882 . . . . 0.0 110.623 -179.315 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 79' ' ' MET . . . . . 0.471 ' HG3' ' O ' ' B' ' 75' ' ' ALA . 0.0 OUTLIER -66.7 -33.76 76.36 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.96 -1.087 . . . . 0.0 110.559 -179.097 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.96 HG21 ' CG2' ' B' ' 36' ' ' ILE . 6.6 m -80.2 -39.45 19.22 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 O-C-N 121.052 -1.03 . . . . 0.0 109.855 -179.453 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.813 HG23 ' HZ ' ' B' ' 43' ' ' PHE . 3.2 m -62.03 -15.45 44.5 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.107 -0.996 . . . . 0.0 108.526 179.336 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.865 HG21 ' HB3' ' A' ' 71' ' ' GLN . 87.0 m -103.93 -15.61 15.59 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.548 -0.72 . . . . 0.0 109.393 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.644 ' HB1' HG23 ' B' ' 53' ' ' VAL . . . . . . . . 0 N--CA 1.489 1.476 0 O-C-N 121.346 -0.846 . . . . 0.0 109.819 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' SER . . . . . 0.415 ' O ' ' HB2' ' A' ' 5' ' ' LYS . 89.0 p . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 121.353 0.597 . . . . 0.0 109.425 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.706 ' HB3' HG22 ' B' ' 13' ' ' VAL . 1.0 OUTLIER -77.86 -67.19 0.75 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.297 -0.877 . . . . 0.0 109.721 -179.871 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.531 ' HB3' ' CB ' ' B' ' 39' ' ' GLU . 15.8 tp -56.86 -56.85 16.29 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.4 -0.812 . . . . 0.0 109.875 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.539 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 5.3 tm-20 -43.74 -33.5 1.28 Allowed 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.405 -0.809 . . . . 0.0 110.071 -179.129 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.528 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -80.78 -40.0 25.83 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.953 -1.092 . . . . 0.0 110.13 -179.671 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.538 ' CB ' ' HB3' ' B' ' 9' ' ' ALA . . . -79.79 -65.6 0.98 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.306 -0.871 . . . . 0.0 109.993 -179.323 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.831 ' SD ' HG12 ' B' ' 77' ' ' VAL . 8.1 tpt -45.6 -52.07 11.13 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.391 -0.818 . . . . 0.0 109.801 -179.68 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.539 ' CG2' ' O ' ' A' ' 4' ' ' GLU . 25.7 t -63.99 -39.17 84.47 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 O-C-N 121.384 -0.822 . . . . 0.0 109.928 -179.404 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.58 ' HB3' ' CB ' ' B' ' 6' ' ' ALA . . . -55.03 -39.76 69.48 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.122 -0.986 . . . . 0.0 109.489 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.656 HD22 ' CE ' ' A' ' 74' ' ' MET . 0.2 OUTLIER -58.28 -48.17 81.3 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.105 -0.997 . . . . 0.0 109.153 179.812 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.483 ' N ' HD12 ' A' ' 11' ' ' ILE . 1.8 mp -51.6 -31.6 12.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.14 -0.975 . . . . 0.0 108.63 179.398 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -60.93 -58.3 9.03 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.404 -0.81 . . . . 0.0 109.681 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.751 HG22 ' HB3' ' B' ' 2' ' ' GLU . 53.9 t -47.18 -41.3 6.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.447 -0.783 . . . . 0.0 109.932 -179.734 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.581 ' CE2' ' HA ' ' A' ' 70' ' ' PHE . 19.0 t80 -61.04 -54.43 44.88 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.12 -0.988 . . . . 0.0 110.116 -179.216 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -69.45 -4.94 20.72 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.123 -0.986 . . . . 0.0 109.859 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -91.05 -41.78 10.88 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.105 -0.997 . . . . 0.0 109.706 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.503 ' CE1' HD21 ' A' ' 35' ' ' LEU . 23.4 m-85 -78.4 -54.97 5.61 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.287 -0.883 . . . . 0.0 110.039 -179.536 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.866 ' HB2' HD12 ' A' ' 27' ' ' LEU . 3.2 t . . . . . 0 N--CA 1.492 1.672 0 O-C-N 121.12 -0.987 . . . . 0.0 109.871 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.6 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 3.2 t-80 . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 121.111 0.481 . . . . 0.0 110.293 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -150.33 146.57 26.82 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.619 -1.301 . . . . 0.0 109.983 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.866 HD12 ' HB2' ' A' ' 18' ' ' SER . 1.3 tp -128.38 -154.16 0.62 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.329 -0.857 . . . . 0.0 108.964 179.412 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.489 ' HG2' ' O ' ' A' ' 66' ' ' GLY . 8.5 mtpt -146.43 160.91 41.46 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.268 -0.895 . . . . 0.0 109.541 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.65 ' HB3' HD23 ' A' ' 60' ' ' LEU . 6.2 mtpp -76.7 -18.85 58.28 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.275 -0.89 . . . . 0.0 109.092 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.6 t -80.6 -45.29 17.56 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.397 -0.814 . . . . 0.0 109.014 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.472 ' O ' ' HB2' ' A' ' 35' ' ' LEU . 0.8 OUTLIER -78.46 -20.75 50.25 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.116 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 1.117 HD13 ' CD2' ' A' ' 73' ' ' PHE . 2.7 tp -78.26 -44.14 26.29 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 178.424 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 1.027 ' HB2' HD22 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -61.57 -43.21 99.27 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 178.32 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.432 ' O ' ' HB2' ' A' ' 38' ' ' ASN . 0.3 OUTLIER -68.61 -33.23 73.67 Favored 'General case' 0 C--N 1.296 -1.748 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 179.644 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.637 HD11 HG11 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -58.57 -40.1 82.17 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 179.416 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.758 HG21 HG21 ' A' ' 80' ' ' VAL . 0.5 OUTLIER -81.22 -59.15 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.419 -0.801 . . . . 0.0 110.429 -179.892 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -61.25 -3.78 0.99 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.229 -0.92 . . . . 0.0 111.597 -178.426 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.432 ' HB2' ' O ' ' A' ' 34' ' ' GLU . 11.5 t-20 -111.57 -56.46 2.38 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.614 -1.304 . . . . 0.0 110.161 -179.543 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.524 ' CB ' ' HB3' ' B' ' 3' ' ' LEU . 0.8 OUTLIER -99.1 23.88 8.52 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.156 -0.965 . . . . 0.0 110.606 -178.898 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.688 HD22 HG22 ' A' ' 36' ' ' ILE . 1.0 OUTLIER -141.74 -50.72 0.41 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.795 -1.191 . . . . 0.0 109.862 179.427 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -46.64 -22.52 0.3 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.251 -0.906 . . . . 0.0 110.125 -179.908 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.453 ' C ' ' O ' ' A' ' 41' ' ' SER . 0.3 OUTLIER -37.16 -32.28 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.487 -0.758 . . . . 0.0 110.301 -179.698 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.574 ' O ' ' CG ' ' A' ' 43' ' ' PHE . 15.6 p90 -135.84 116.94 14.37 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.012 -1.055 . . . . 0.0 109.531 179.659 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.753 HD23 HD11 ' A' ' 47' ' ' ILE . 5.2 tp 173.19 -79.33 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.559 -0.713 . . . . 0.0 109.346 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 44' ' ' LEU . 5.0 mt-10 42.23 26.22 0.05 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.114 -0.991 . . . . 0.0 110.013 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 44' ' ' LEU . 1.7 mt-10 -143.25 -82.54 0.18 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.05 -1.031 . . . . 0.0 109.873 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.753 HD11 HD23 ' A' ' 44' ' ' LEU . 7.3 mt 58.62 105.64 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.18 -0.95 . . . . 0.0 109.265 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.4 tptp -106.62 -20.09 13.46 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.258 -0.901 . . . . 0.0 109.358 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.511 ' HB3' ' HB ' ' A' ' 52' ' ' VAL . 8.0 mm-40 -83.3 69.86 10.04 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.169 -0.957 . . . . 0.0 108.963 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.546 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 49.2 tt0 -49.04 -22.56 0.92 Allowed 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.21 -0.932 . . . . 0.0 109.74 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.2 -42.25 21.08 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.057 -1.027 . . . . 0.0 110.575 -179.396 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.678 ' O ' HG22 ' A' ' 56' ' ' VAL . 54.7 t -70.92 -40.38 76.34 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.058 -1.026 . . . . 0.0 110.122 -179.12 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.747 HG21 HG23 ' A' ' 47' ' ' ILE . 36.5 t -80.72 -28.62 11.52 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 O-C-N 121.089 -1.007 . . . . 0.0 109.727 -179.716 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.546 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 28.8 t70 -81.76 -21.55 37.75 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.036 -1.04 . . . . 0.0 108.791 179.528 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.43 ' HD3' ' C ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -75.42 -44.71 43.1 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.239 -0.913 . . . . 0.0 109.165 179.827 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.91 HG12 ' CZ ' ' A' ' 76' ' ' PHE . 2.2 m -80.31 -35.31 15.4 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 O-C-N 121.013 -1.054 . . . . 0.0 108.638 179.27 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.494 ' HB2' ' O ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -72.39 -24.87 61.32 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.432 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.538 ' CG ' ' O ' ' A' ' 54' ' ' ASP . 1.2 mm-40 -74.2 -51.38 15.65 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 119.456 -0.898 . . . . 0.0 109.01 179.507 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.546 HG22 ' CE ' ' A' ' 29' ' ' LYS . 4.9 m -65.53 -24.17 67.05 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.342 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 1.027 HD22 ' HB2' ' A' ' 33' ' ' LYS . 10.9 mt -70.05 -52.97 19.66 Favored 'General case' 0 C--N 1.304 -1.404 0 CA-C-O 121.478 0.656 . . . . 0.0 109.501 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.34 -11.44 59.9 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.523 -0.736 . . . . 0.0 109.739 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.452 ' O ' ' OD1' ' A' ' 63' ' ' ASP . 38.2 tt0 -72.78 -36.22 67.57 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.234 -0.916 . . . . 0.0 109.821 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.507 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 68.6 m-20 -156.93 55.36 0.53 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.219 -0.925 . . . . 0.0 109.582 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 63' ' ' ASP . . . -40.24 -27.82 0.15 Allowed Glycine 0 N--CA 1.494 2.519 0 N-CA-C 109.973 -1.251 . . . . 0.0 109.973 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 63' ' ' ASP . 11.8 t0 -91.87 40.91 1.05 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.147 -1.208 . . . . 0.0 109.444 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.489 ' O ' ' HG2' ' A' ' 28' ' ' LYS . . . -108.06 171.95 16.63 Favored Glycine 0 N--CA 1.487 2.085 0 N-CA-C 109.606 -1.398 . . . . 0.0 109.606 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -106.57 128.63 54.28 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.13 -1.218 . . . . 0.0 109.712 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 87.1 m -105.65 171.49 7.3 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.276 -0.89 . . . . 0.0 109.575 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' A' ' 69' ' ' ASP . 1.5 m-20 -108.53 -177.33 3.29 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.259 -0.901 . . . . 0.0 109.428 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.602 ' CE1' ' HG3' ' A' ' 71' ' ' GLN . 6.6 p90 -79.56 -35.0 40.46 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.124 -0.985 . . . . 0.0 109.214 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.602 ' HG3' ' CE1' ' A' ' 70' ' ' PHE . 1.1 mt-30 -78.58 -26.48 45.52 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.247 -0.908 . . . . 0.0 109.068 179.444 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.483 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -78.13 -50.91 11.09 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.313 -0.867 . . . . 0.0 108.979 179.786 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 1.117 ' CD2' HD13 ' A' ' 32' ' ' LEU . 5.2 t80 -62.17 -22.15 65.65 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.386 -0.821 . . . . 0.0 108.985 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.732 ' HG3' HG21 ' B' ' 82' ' ' THR . 0.0 OUTLIER -80.25 -55.45 4.9 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.301 -0.874 . . . . 0.0 109.801 -179.794 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.519 ' O ' ' HG3' ' A' ' 79' ' ' MET . . . -66.26 -16.56 64.12 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.34 -0.85 . . . . 0.0 109.087 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.91 ' CZ ' HG12 ' A' ' 56' ' ' VAL . 0.1 OUTLIER -77.17 -39.25 49.69 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.332 -0.855 . . . . 0.0 109.246 179.514 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.843 HG12 ' SD ' ' B' ' 7' ' ' MET . 84.1 t -70.67 -27.61 31.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.389 -0.819 . . . . 0.0 109.847 -179.64 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 77.5 p -77.05 -42.63 37.61 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.122 -0.987 . . . . 0.0 110.515 -179.295 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.551 ' HB3' HG13 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -57.73 -46.05 84.95 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.926 -1.109 . . . . 0.0 110.201 -179.555 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.758 HG21 HG21 ' A' ' 36' ' ' ILE . 25.5 m -70.45 -45.08 76.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 O-C-N 121.183 -0.948 . . . . 0.0 110.623 -179.007 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.696 HG21 ' HG3' ' B' ' 7' ' ' MET . 1.9 m -66.56 -8.61 28.0 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.801 -1.187 . . . . 0.0 109.624 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.751 HG21 ' HG3' ' B' ' 74' ' ' MET . 61.0 p -129.73 13.55 5.88 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.248 -0.907 . . . . 0.0 109.361 179.661 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.49 ' O ' ' HG3' ' A' ' 49' ' ' GLU . . . . . . . . 0 N--CA 1.49 1.532 0 O-C-N 121.265 -0.897 . . . . 0.0 109.235 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 1' ' ' SER . . . . . 0.422 ' O ' ' HB2' ' B' ' 5' ' ' LYS . 89.1 p . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.751 ' HB3' HG22 ' A' ' 13' ' ' VAL . 1.0 OUTLIER -77.95 -67.26 0.75 Allowed 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.3 -0.875 . . . . 0.0 109.637 -179.863 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.524 ' HB3' ' CB ' ' A' ' 39' ' ' GLU . 15.8 tp -56.84 -56.84 16.47 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.272 -0.893 . . . . 0.0 109.851 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 4' ' ' GLU . . . . . 0.532 ' O ' ' CG2' ' B' ' 8' ' ' VAL . 5.3 tm-20 -43.76 -33.54 1.3 Allowed 'General case' 0 C--N 1.297 -1.706 0 O-C-N 121.394 -0.816 . . . . 0.0 110.119 -179.125 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.53 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 0.0 OUTLIER -80.7 -39.99 26.17 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.986 -1.071 . . . . 0.0 110.203 -179.727 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.58 ' CB ' ' HB3' ' A' ' 9' ' ' ALA . . . -79.78 -65.66 0.97 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.158 -0.964 . . . . 0.0 110.02 -179.396 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 7' ' ' MET . . . . . 0.843 ' SD ' HG12 ' A' ' 77' ' ' VAL . 8.1 tpt -45.56 -52.09 10.98 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.403 -0.811 . . . . 0.0 109.826 -179.691 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.532 ' CG2' ' O ' ' B' ' 4' ' ' GLU . 25.8 t -64.01 -39.13 84.33 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.548 0 O-C-N 121.349 -0.844 . . . . 0.0 109.915 -179.442 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.538 ' HB3' ' CB ' ' A' ' 6' ' ' ALA . . . -55.1 -39.75 69.68 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.154 -0.966 . . . . 0.0 109.43 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.651 HD22 ' CE ' ' B' ' 74' ' ' MET . 0.2 OUTLIER -58.22 -48.25 80.96 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.143 -0.973 . . . . 0.0 109.108 179.809 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.492 ' N ' HD12 ' B' ' 11' ' ' ILE . 1.8 mp -51.57 -31.75 12.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.215 -0.928 . . . . 0.0 108.544 179.419 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -60.84 -58.34 8.87 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.529 -0.732 . . . . 0.0 109.739 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' VAL . . . . . 0.706 HG22 ' HB3' ' A' ' 2' ' ' GLU . 53.6 t -47.1 -41.33 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.383 -0.823 . . . . 0.0 109.955 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.584 ' CE2' ' HA ' ' B' ' 70' ' ' PHE . 18.7 t80 -60.94 -54.49 44.33 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.157 -0.965 . . . . 0.0 110.147 -179.246 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -69.5 -4.84 20.53 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.182 -0.949 . . . . 0.0 109.959 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -91.08 -41.69 10.91 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.11 -0.993 . . . . 0.0 109.67 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.502 ' CE1' HD21 ' B' ' 35' ' ' LEU . 23.6 m-85 -78.48 -54.97 5.59 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.288 -0.882 . . . . 0.0 110.027 -179.504 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 18' ' ' SER . . . . . 0.873 ' HB2' HD12 ' B' ' 27' ' ' LEU . 3.2 t . . . . . 0 N--CA 1.493 1.676 0 O-C-N 121.143 -0.973 . . . . 0.0 109.826 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' HIS . . . . . 0.602 ' CG ' ' O ' ' B' ' 25' ' ' HIS . 3.2 t-80 . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 121.076 0.465 . . . . 0.0 110.283 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -150.47 146.5 26.67 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.648 -1.283 . . . . 0.0 109.957 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.873 HD12 ' HB2' ' B' ' 18' ' ' SER . 1.4 tp -128.29 -154.1 0.61 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.418 -0.801 . . . . 0.0 109.022 179.43 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.489 ' HG2' ' O ' ' B' ' 66' ' ' GLY . 8.6 mtpt -146.5 160.93 41.48 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.239 -0.913 . . . . 0.0 109.574 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.643 ' HB3' HD23 ' B' ' 60' ' ' LEU . 6.2 mtpp -76.76 -18.83 58.22 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.322 -0.861 . . . . 0.0 109.06 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.6 t -80.59 -45.39 17.42 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.365 -0.834 . . . . 0.0 108.986 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.465 ' O ' ' HB2' ' B' ' 35' ' ' LEU . 0.8 OUTLIER -78.42 -20.71 50.51 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 179.103 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 1.119 HD13 ' CD2' ' B' ' 73' ' ' PHE . 2.6 tp -78.33 -44.06 26.18 Favored 'General case' 0 N--CA 1.487 1.384 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 178.428 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 1.0 ' HB2' HD22 ' B' ' 60' ' ' LEU . 0.1 OUTLIER -61.67 -43.08 99.54 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 178.314 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.435 ' O ' ' HB2' ' B' ' 38' ' ' ASN . 0.3 OUTLIER -68.66 -33.31 73.77 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 179.585 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.642 HD11 HG11 ' B' ' 13' ' ' VAL . 0.1 OUTLIER -58.37 -40.19 81.62 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 179.304 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.769 HG21 HG21 ' B' ' 80' ' ' VAL . 0.5 OUTLIER -81.26 -59.24 3.0 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.445 -0.784 . . . . 0.0 110.351 -179.848 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -61.12 -3.81 0.94 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.183 -0.948 . . . . 0.0 111.695 -178.477 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.435 ' HB2' ' O ' ' B' ' 34' ' ' GLU . 11.5 t-20 -111.56 -56.5 2.37 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.666 -1.271 . . . . 0.0 110.182 -179.588 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.531 ' CB ' ' HB3' ' A' ' 3' ' ' LEU . 0.8 OUTLIER -99.02 23.83 8.52 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.093 -1.004 . . . . 0.0 110.659 -178.917 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.69 HD22 HG22 ' B' ' 36' ' ' ILE . 1.1 tt -141.72 -50.7 0.41 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.882 -1.136 . . . . 0.0 109.904 179.418 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.461 ' O ' ' C ' ' B' ' 42' ' ' HIS . 0.1 OUTLIER -46.53 -22.62 0.29 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.333 -0.854 . . . . 0.0 110.161 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 42' ' ' HIS . . . . . 0.461 ' C ' ' O ' ' B' ' 41' ' ' SER . 0.3 OUTLIER -37.12 -32.26 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.508 -0.745 . . . . 0.0 110.366 -179.672 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 43' ' ' PHE . . . . . 0.574 ' O ' ' CG ' ' B' ' 43' ' ' PHE . 15.5 p90 -135.8 116.92 14.4 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.036 -1.04 . . . . 0.0 109.535 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.756 HD23 HD11 ' B' ' 47' ' ' ILE . 5.1 tp 173.18 -79.29 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.451 -0.78 . . . . 0.0 109.477 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' B' ' 44' ' ' LEU . 5.0 mt-10 42.13 26.32 0.05 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.07 -1.019 . . . . 0.0 110.03 179.732 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 46' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' B' ' 44' ' ' LEU . 1.7 mt-10 -143.3 -82.59 0.17 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.9 -1.125 . . . . 0.0 109.841 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.756 HD11 HD23 ' B' ' 44' ' ' LEU . 7.3 mt 58.63 105.67 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.165 -0.959 . . . . 0.0 109.226 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 8.4 tptp -106.67 -20.14 13.45 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.215 -0.928 . . . . 0.0 109.412 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.512 ' HB3' ' HB ' ' B' ' 52' ' ' VAL . 8.0 mm-40 -83.14 69.77 9.95 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.193 -0.942 . . . . 0.0 108.989 179.563 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 50' ' ' GLN . . . . . 0.555 ' O ' ' CB ' ' B' ' 54' ' ' ASP . 49.2 tt0 -49.09 -22.54 0.95 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.314 -0.866 . . . . 0.0 109.718 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.17 -42.2 21.22 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.118 -0.989 . . . . 0.0 110.605 -179.426 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.693 ' O ' HG22 ' B' ' 56' ' ' VAL . 54.7 t -70.96 -40.35 76.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 120.981 -1.074 . . . . 0.0 110.159 -179.134 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.732 HG21 HG23 ' B' ' 47' ' ' ILE . 36.6 t -80.61 -28.67 11.66 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.509 0 O-C-N 121.096 -1.003 . . . . 0.0 109.755 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 54' ' ' ASP . . . . . 0.555 ' CB ' ' O ' ' B' ' 50' ' ' GLN . 28.8 t70 -81.78 -21.57 37.67 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 120.984 -1.073 . . . . 0.0 108.745 179.559 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 55' ' ' LYS . . . . . 0.437 ' HD3' ' C ' ' B' ' 55' ' ' LYS . 0.0 OUTLIER -75.37 -44.7 43.59 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.228 -0.92 . . . . 0.0 109.221 179.82 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.908 HG12 ' CZ ' ' B' ' 76' ' ' PHE . 2.2 m -80.3 -35.45 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 121.092 -1.005 . . . . 0.0 108.582 179.33 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.495 ' HB2' ' O ' ' B' ' 53' ' ' VAL . 0.0 OUTLIER -72.28 -24.98 61.42 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 179.452 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 58' ' ' GLU . . . . . 0.526 ' CG ' ' O ' ' B' ' 54' ' ' ASP . 1.2 mm-40 -74.08 -51.57 15.33 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.241 -0.912 . . . . 0.0 108.929 179.579 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 59' ' ' THR . . . . . 0.554 HG22 ' CE ' ' B' ' 29' ' ' LYS . 4.9 m -65.44 -24.21 67.12 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 179.398 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 1.0 HD22 ' HB2' ' B' ' 33' ' ' LYS . 10.8 mt -70.02 -52.9 20.33 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-O 121.474 0.654 . . . . 0.0 109.5 179.636 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.39 -11.51 59.91 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.529 -0.732 . . . . 0.0 109.654 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.446 ' O ' ' OD1' ' B' ' 63' ' ' ASP . 38.2 tt0 -72.78 -36.23 67.59 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.29 -0.881 . . . . 0.0 109.732 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.507 ' O ' ' HD3' ' B' ' 29' ' ' LYS . 68.6 m-20 -156.88 55.38 0.53 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.215 -0.928 . . . . 0.0 109.616 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 64' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' B' ' 63' ' ' ASP . . . -40.34 -27.75 0.16 Allowed Glycine 0 N--CA 1.493 2.495 0 N-CA-C 109.928 -1.269 . . . . 0.0 109.928 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' B' ' 63' ' ' ASP . 11.9 t0 -91.82 40.84 1.05 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.205 -1.174 . . . . 0.0 109.444 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 66' ' ' GLY . . . . . 0.489 ' O ' ' HG2' ' B' ' 28' ' ' LYS . . . -108.09 171.9 16.56 Favored Glycine 0 N--CA 1.488 2.146 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -106.51 128.59 54.22 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.175 -1.191 . . . . 0.0 109.739 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 86.8 m -105.76 171.49 7.31 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.187 -0.946 . . . . 0.0 109.501 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' B' ' 69' ' ' ASP . 1.5 m-20 -108.54 -177.37 3.3 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.194 -0.941 . . . . 0.0 109.457 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.601 ' CE1' ' HG3' ' B' ' 71' ' ' GLN . 6.5 p90 -79.64 -34.93 40.1 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.017 -1.052 . . . . 0.0 109.195 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.601 ' HG3' ' CE1' ' B' ' 70' ' ' PHE . 1.1 mt-30 -78.63 -26.4 45.24 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.281 -0.887 . . . . 0.0 109.07 179.439 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.484 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 0.2 OUTLIER -78.19 -50.94 11.0 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.35 -0.844 . . . . 0.0 108.893 179.817 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 1.119 ' CD2' HD13 ' B' ' 32' ' ' LEU . 5.3 t80 -62.15 -22.2 65.67 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.305 -0.872 . . . . 0.0 108.886 179.439 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.751 ' HG3' HG21 ' A' ' 82' ' ' THR . 0.0 OUTLIER -80.27 -55.5 4.87 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.294 -0.879 . . . . 0.0 109.802 -179.723 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.519 ' O ' ' HG3' ' B' ' 79' ' ' MET . . . -66.26 -16.45 64.03 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.305 -0.872 . . . . 0.0 109.171 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.908 ' CZ ' HG12 ' B' ' 56' ' ' VAL . 0.1 OUTLIER -77.28 -39.18 49.02 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.386 -0.821 . . . . 0.0 109.262 179.495 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.831 HG12 ' SD ' ' A' ' 7' ' ' MET . 84.3 t -70.64 -27.66 31.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.325 -0.859 . . . . 0.0 109.863 -179.709 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 77.1 p -76.97 -42.69 37.97 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.989 -1.069 . . . . 0.0 110.596 -179.307 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 79' ' ' MET . . . . . 0.552 ' HB3' HG13 ' B' ' 52' ' ' VAL . 0.0 OUTLIER -57.76 -46.09 85.02 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.876 -1.14 . . . . 0.0 110.115 -179.507 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.769 HG21 HG21 ' B' ' 36' ' ' ILE . 25.3 m -70.4 -44.97 76.85 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 O-C-N 121.222 -0.924 . . . . 0.0 110.675 -179.003 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.737 HG21 ' HG3' ' A' ' 7' ' ' MET . 1.9 m -66.63 -8.65 28.81 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.839 -1.163 . . . . 0.0 109.521 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.732 HG21 ' HG3' ' A' ' 74' ' ' MET . 59.9 p -129.74 13.6 5.88 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.142 -0.974 . . . . 0.0 109.326 179.699 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.479 ' O ' ' HG3' ' B' ' 49' ' ' GLU . . . . . . . . 0 N--CA 1.489 1.496 0 O-C-N 121.3 -0.875 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.7 p . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.892 ' HB2' HG22 ' B' ' 13' ' ' VAL . 32.3 mm-40 -69.26 -38.72 78.56 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.266 -0.896 . . . . 0.0 109.677 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.784 HD23 ' HG ' ' B' ' 40' ' ' LEU . 7.6 tp -80.15 -50.05 10.82 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.337 -0.852 . . . . 0.0 109.979 -179.632 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.551 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 61.6 tt0 -57.37 -41.97 81.2 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.04 -1.038 . . . . 0.0 109.938 -179.395 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.57 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 8.6 tptt -78.39 -38.7 41.08 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.846 -1.159 . . . . 0.0 109.735 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.601 ' CB ' ' HB3' ' B' ' 9' ' ' ALA . . . -80.12 -70.44 0.52 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.167 -0.958 . . . . 0.0 109.727 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.842 ' SD ' HG12 ' B' ' 77' ' ' VAL . 8.3 tpt -40.58 -48.31 2.85 Favored 'General case' 0 N--CA 1.491 1.587 0 CA-C-O 121.664 0.745 . . . . 0.0 109.914 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.551 ' CG2' ' O ' ' A' ' 4' ' ' GLU . 21.2 t -70.55 -38.41 73.42 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.587 0 O-C-N 121.446 -0.784 . . . . 0.0 109.855 -179.257 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.623 ' HB3' ' CB ' ' B' ' 6' ' ' ALA . . . -53.24 -44.36 68.05 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.003 -1.061 . . . . 0.0 108.874 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.801 HD22 ' CE ' ' A' ' 74' ' ' MET . 0.3 OUTLIER -54.31 -52.74 60.56 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 179.219 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 31.9 mm -49.7 -34.18 8.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 179.099 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -61.99 -45.47 93.5 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.549 -0.719 . . . . 0.0 109.3 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.876 HG22 ' HB2' ' B' ' 2' ' ' GLU . 53.3 t -46.84 -37.3 3.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.157 -0.964 . . . . 0.0 109.108 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 1.126 ' CZ ' HD23 ' A' ' 27' ' ' LEU . 2.1 t80 -62.67 -45.5 92.52 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.119 -0.988 . . . . 0.0 109.321 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 28.3 t60 -67.95 -7.1 25.82 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.304 -0.872 . . . . 0.0 109.559 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -93.03 -58.65 2.26 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.228 -0.92 . . . . 0.0 109.638 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -74.43 -60.88 2.07 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.179 -0.951 . . . . 0.0 109.583 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.8 t . . . . . 0 N--CA 1.491 1.624 0 O-C-N 121.211 -0.931 . . . . 0.0 109.543 -179.763 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.505 ' NE2' ' CE2' ' A' ' 70' ' ' PHE . 13.1 t-160 . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.438 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 9.4 ptmt -138.19 142.19 40.03 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.181 -0.949 . . . . 0.0 109.477 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 1.126 HD23 ' CZ ' ' A' ' 14' ' ' PHE . 0.4 OUTLIER -104.82 -165.54 1.14 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.248 -0.907 . . . . 0.0 109.479 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.522 ' CG ' ' O ' ' A' ' 66' ' ' GLY . 1.6 tttt -149.67 164.17 35.93 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.242 -0.911 . . . . 0.0 109.154 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.558 ' HE3' HG22 ' A' ' 59' ' ' THR . 3.6 mttp -76.65 -27.81 55.78 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.178 -0.951 . . . . 0.0 109.01 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.2 p -75.18 -38.07 60.97 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.446 -0.784 . . . . 0.0 109.319 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.494 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 16.7 tt0 -85.86 -19.32 30.77 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.136 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.529 ' O ' HG13 ' A' ' 36' ' ' ILE . 11.1 tp -79.99 -31.82 39.78 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 107.416 -1.327 . . . . 0.0 107.416 178.522 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.585 ' HB2' HD22 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -65.87 -43.53 88.07 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 179.076 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.549 ' HG3' ' N ' ' A' ' 35' ' ' LEU . 6.1 pt-20 -70.32 -41.95 72.6 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 179.144 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.801 ' CD1' HD22 ' B' ' 3' ' ' LEU . 0.1 OUTLIER -45.44 -43.22 11.21 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 179.524 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.529 HG13 ' O ' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -79.43 -57.71 4.85 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.129 -0.982 . . . . 0.0 109.976 -179.816 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.494 ' O ' ' HB2' ' A' ' 41' ' ' SER . 25.7 t30 -75.54 -61.26 1.97 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.318 -0.864 . . . . 0.0 110.474 -178.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.503 ' HB3' ' O ' ' A' ' 34' ' ' GLU . 21.1 t-20 -50.91 -28.7 10.23 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.187 -0.946 . . . . 0.0 110.297 -178.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.538 ' HG2' ' HB3' ' B' ' 3' ' ' LEU . 0.0 OUTLIER -101.83 -70.89 0.73 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.859 -1.151 . . . . 0.0 110.188 -179.634 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.72 ' HG ' HD23 ' B' ' 3' ' ' LEU . 84.0 mt -71.56 -99.5 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.101 -1.0 . . . . 0.0 110.025 -179.248 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.494 ' HB2' ' O ' ' A' ' 37' ' ' ASN . 7.1 t 57.98 16.25 3.62 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.888 -1.132 . . . . 0.0 109.656 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -85.89 -60.48 2.0 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.168 -0.958 . . . . 0.0 109.399 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.448 ' O ' ' O ' ' A' ' 44' ' ' LEU . 26.1 m-85 -62.35 -108.79 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.195 -0.941 . . . . 0.0 108.893 179.512 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.448 ' O ' ' O ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER 39.85 92.73 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.023 -1.048 . . . . 0.0 110.114 179.536 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -114.15 -80.04 0.59 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.267 -0.896 . . . . 0.0 108.918 179.519 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.5 ' O ' ' HG3' ' A' ' 46' ' ' GLU . 1.8 tt0 -110.13 -17.77 13.48 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.328 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.568 HG23 HG21 ' A' ' 53' ' ' VAL . 16.1 mt 74.53 99.96 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.531 -0.731 . . . . 0.0 109.861 179.511 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -89.38 -44.41 10.21 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.328 -0.857 . . . . 0.0 108.801 179.423 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.661 ' OE1' HG23 ' A' ' 52' ' ' VAL . 6.8 mm-40 -83.67 69.32 10.13 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 179.378 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.478 ' O ' ' HB2' ' A' ' 54' ' ' ASP . 0.8 OUTLIER -51.04 -23.79 3.31 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.238 -0.914 . . . . 0.0 109.553 -179.673 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.483 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 2.5 tt0 -80.24 -36.32 34.83 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.133 -0.979 . . . . 0.0 110.121 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.919 ' O ' HG22 ' A' ' 56' ' ' VAL . 33.4 t -72.05 -42.27 67.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.052 -1.03 . . . . 0.0 109.738 -179.621 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.568 HG21 HG23 ' A' ' 47' ' ' ILE . 86.6 t -78.9 -33.84 16.53 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.169 -0.957 . . . . 0.0 109.635 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.531 ' O ' ' CG ' ' A' ' 58' ' ' GLU . 49.3 m-20 -78.84 -20.67 49.07 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.03 -1.044 . . . . 0.0 108.68 179.514 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.483 ' HB2' ' O ' ' A' ' 51' ' ' GLU . 23.9 tptp -80.53 -48.2 13.11 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.33 -0.856 . . . . 0.0 109.776 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.919 HG22 ' O ' ' A' ' 52' ' ' VAL . 6.1 m -74.87 -37.89 42.75 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 O-C-N 121.015 -1.053 . . . . 0.0 109.391 -179.758 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 51.8 tpp -73.02 -23.13 60.57 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.465 -0.772 . . . . 0.0 109.288 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.531 ' CG ' ' O ' ' A' ' 54' ' ' ASP . 22.7 mt-10 -77.76 -47.1 19.81 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.927 -1.108 . . . . 0.0 108.885 179.448 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.558 HG22 ' HE3' ' A' ' 29' ' ' LYS . 4.2 m -66.57 -21.27 66.14 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 178.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.585 HD22 ' HB2' ' A' ' 33' ' ' LYS . 12.4 mt -74.77 -58.84 3.03 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-O 121.627 0.727 . . . . 0.0 109.063 179.457 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.12 -4.83 46.46 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.544 -0.723 . . . . 0.0 109.527 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.45 ' CB ' ' O ' ' A' ' 58' ' ' GLU . 52.9 tt0 -80.41 -54.5 5.65 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.224 -0.922 . . . . 0.0 109.598 -179.72 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.502 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 1.1 t0 -128.03 47.59 2.39 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.434 -0.792 . . . . 0.0 109.965 -179.583 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.51 ' HA2' ' HB2' ' A' ' 29' ' ' LYS . . . -39.45 -29.26 0.13 Allowed Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.486 ' N ' ' O ' ' A' ' 63' ' ' ASP . 27.6 t70 -92.93 42.51 1.1 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.334 -1.098 . . . . 0.0 109.44 179.559 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.522 ' O ' ' CG ' ' A' ' 28' ' ' LYS . . . -120.4 175.29 15.93 Favored Glycine 0 N--CA 1.489 2.173 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -115.2 152.88 31.85 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.053 -1.263 . . . . 0.0 110.146 -179.681 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.92 -171.5 2.59 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.467 -0.771 . . . . 0.0 109.241 179.656 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -122.08 174.59 6.84 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.189 -0.944 . . . . 0.0 109.351 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.58 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 6.9 p90 -72.14 -32.14 66.64 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.293 -0.879 . . . . 0.0 109.272 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.488 ' HG3' ' N ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -80.09 -29.81 39.12 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.161 -0.962 . . . . 0.0 109.152 179.804 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.488 ' N ' ' HG3' ' A' ' 71' ' ' GLN . 0.6 OUTLIER -72.22 -58.54 3.33 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.275 -0.891 . . . . 0.0 108.665 179.491 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.712 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -57.55 -25.05 59.36 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 179.141 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.801 ' CE ' HD22 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -69.11 -54.74 13.44 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.591 -0.693 . . . . 0.0 109.531 -179.841 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.472 ' O ' ' HG3' ' A' ' 79' ' ' MET . . . -69.18 -16.08 63.55 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.331 -0.856 . . . . 0.0 109.096 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.653 ' O ' HG22 ' A' ' 80' ' ' VAL . 1.4 m-85 -79.85 -37.81 34.15 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.408 -0.807 . . . . 0.0 109.225 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.833 HG12 ' SD ' ' B' ' 7' ' ' MET . 69.6 t -72.8 -26.27 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.437 -0.79 . . . . 0.0 110.03 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 21.8 m -77.95 -49.88 13.27 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.215 -0.928 . . . . 0.0 110.572 -179.162 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.473 ' HB3' ' CG1' ' A' ' 52' ' ' VAL . 0.5 OUTLIER -54.53 -46.64 73.6 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.011 -1.056 . . . . 0.0 110.545 -179.086 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.794 ' CG1' HG21 ' A' ' 56' ' ' VAL . 3.3 m -63.01 -40.29 88.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.053 -1.029 . . . . 0.0 110.315 -179.111 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.479 ' OG1' ' O ' ' A' ' 77' ' ' VAL . 0.2 OUTLIER -69.42 -10.12 56.59 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.927 -1.108 . . . . 0.0 109.419 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -113.0 -0.11 14.87 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.228 -0.92 . . . . 0.0 109.653 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.529 ' HB1' HG23 ' A' ' 53' ' ' VAL . . . . . . . . 0 N--CA 1.491 1.611 0 O-C-N 121.172 -0.955 . . . . 0.0 109.629 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 3.7 p . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.876 ' HB2' HG22 ' A' ' 13' ' ' VAL . 32.5 mm-40 -69.32 -38.75 78.35 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.345 -0.847 . . . . 0.0 109.631 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.801 HD22 ' CD1' ' A' ' 35' ' ' LEU . 7.6 tp -80.09 -50.07 10.85 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.34 -0.85 . . . . 0.0 109.967 -179.597 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 4' ' ' GLU . . . . . 0.549 ' O ' ' CG2' ' B' ' 8' ' ' VAL . 61.4 tt0 -57.35 -42.01 81.19 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.066 -1.021 . . . . 0.0 109.905 -179.42 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.575 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 8.7 tptt -78.48 -38.46 40.9 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.77 -1.206 . . . . 0.0 109.763 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.623 ' CB ' ' HB3' ' A' ' 9' ' ' ALA . . . -80.29 -70.46 0.52 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.31 -0.869 . . . . 0.0 109.684 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 7' ' ' MET . . . . . 0.833 ' SD ' HG12 ' A' ' 77' ' ' VAL . 8.2 tpt -40.56 -48.33 2.83 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 121.705 0.765 . . . . 0.0 109.891 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.549 ' CG2' ' O ' ' B' ' 4' ' ' GLU . 21.0 t -70.47 -38.53 74.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.592 0 O-C-N 121.31 -0.869 . . . . 0.0 109.957 -179.369 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.601 ' HB3' ' CB ' ' A' ' 6' ' ' ALA . . . -53.11 -44.34 67.57 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.968 -1.083 . . . . 0.0 108.927 179.591 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.794 HD22 ' CE ' ' B' ' 74' ' ' MET . 0.3 OUTLIER -54.36 -52.8 60.49 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 179.209 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.447 HD13 ' HA ' ' B' ' 11' ' ' ILE . 32.3 mm -49.61 -34.26 8.46 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 179.047 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -62.0 -45.35 94.01 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.398 -0.814 . . . . 0.0 109.335 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' VAL . . . . . 0.892 HG22 ' HB2' ' A' ' 2' ' ' GLU . 53.7 t -46.92 -37.35 3.65 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.223 -0.923 . . . . 0.0 109.009 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 1.119 ' CZ ' HD23 ' B' ' 27' ' ' LEU . 2.1 t80 -62.53 -45.57 92.35 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.235 -0.916 . . . . 0.0 109.358 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 28.4 t60 -67.94 -7.22 26.7 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.249 -0.907 . . . . 0.0 109.568 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -92.88 -58.62 2.28 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.314 -0.866 . . . . 0.0 109.707 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -74.51 -60.86 2.08 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.274 -0.891 . . . . 0.0 109.53 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 3.8 t . . . . . 0 N--CA 1.49 1.541 0 O-C-N 121.363 -0.836 . . . . 0.0 109.682 -179.814 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 25' ' ' HIS . . . . . 0.515 ' NE2' ' CE2' ' B' ' 70' ' ' PHE . 13.1 t-160 . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 121.208 0.528 . . . . 0.0 109.601 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.452 ' O ' ' HG3' ' B' ' 26' ' ' LYS . 9.5 ptmt -138.14 142.22 40.14 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.228 -0.92 . . . . 0.0 109.464 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 1.119 HD23 ' CZ ' ' B' ' 14' ' ' PHE . 0.4 OUTLIER -104.85 -165.62 1.15 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.204 -0.935 . . . . 0.0 109.455 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.524 ' CG ' ' O ' ' B' ' 66' ' ' GLY . 1.6 tttt -149.53 164.18 35.76 Favored 'General case' 0 N--CA 1.486 1.336 0 O-C-N 121.304 -0.873 . . . . 0.0 109.109 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.547 ' HE3' HG22 ' B' ' 59' ' ' THR . 3.6 mttp -76.73 -27.74 55.54 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.128 -0.982 . . . . 0.0 108.957 179.682 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 6.2 p -75.13 -38.21 61.11 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.269 -0.894 . . . . 0.0 109.363 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.504 ' O ' ' HG2' ' B' ' 34' ' ' GLU . 16.6 tt0 -85.82 -19.27 30.92 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.169 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.538 ' O ' HG13 ' B' ' 36' ' ' ILE . 11.0 tp -79.97 -31.94 39.85 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 107.295 -1.372 . . . . 0.0 107.295 178.571 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.573 ' HB2' HD22 ' B' ' 60' ' ' LEU . 0.4 OUTLIER -65.88 -43.5 88.11 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.104 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.54 ' HG3' ' N ' ' B' ' 35' ' ' LEU . 6.1 pt-20 -70.45 -41.91 72.18 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 107.918 -1.142 . . . . 0.0 107.918 179.267 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.755 ' CD1' HD22 ' A' ' 3' ' ' LEU . 0.1 OUTLIER -45.5 -43.22 11.5 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.49 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.538 HG13 ' O ' ' B' ' 32' ' ' LEU . 0.4 OUTLIER -79.36 -57.92 4.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.169 -0.957 . . . . 0.0 109.958 -179.862 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.495 ' O ' ' HB2' ' B' ' 41' ' ' SER . 25.7 t30 -75.4 -61.27 1.96 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.285 -0.885 . . . . 0.0 110.623 -179.006 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.489 ' HB3' ' O ' ' B' ' 34' ' ' GLU . 21.1 t-20 -50.89 -28.63 10.02 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.117 -0.989 . . . . 0.0 110.303 -178.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.505 ' HG2' ' HB3' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -101.94 -70.84 0.74 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.944 -1.098 . . . . 0.0 110.21 -179.637 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.784 ' HG ' HD23 ' A' ' 3' ' ' LEU . 83.7 mt -71.5 -99.62 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.134 -0.979 . . . . 0.0 109.967 -179.308 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.495 ' HB2' ' O ' ' B' ' 37' ' ' ASN . 7.2 t 58.01 16.27 3.66 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.997 -1.064 . . . . 0.0 109.692 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -86.05 -60.38 2.03 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.141 -0.974 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 43' ' ' PHE . . . . . 0.452 ' O ' ' O ' ' B' ' 44' ' ' LEU . 26.0 m-85 -62.35 -108.84 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.147 -0.97 . . . . 0.0 108.928 179.507 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.452 ' O ' ' O ' ' B' ' 43' ' ' PHE . 0.1 OUTLIER 39.86 92.66 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.085 -1.01 . . . . 0.0 110.225 179.52 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -114.15 -80.07 0.59 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.257 -0.902 . . . . 0.0 108.883 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' GLU . . . . . 0.506 ' O ' ' HG3' ' B' ' 46' ' ' GLU . 1.8 tt0 -110.18 -17.82 13.45 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 179.347 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.56 HG23 HG21 ' B' ' 53' ' ' VAL . 16.0 mt 74.54 100.04 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.478 -0.764 . . . . 0.0 109.888 179.485 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -89.45 -44.48 10.12 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.295 -0.878 . . . . 0.0 108.777 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.641 ' OE1' HG23 ' B' ' 52' ' ' VAL . 6.8 mm-40 -83.67 69.36 10.14 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 179.392 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 50' ' ' GLN . . . . . 0.48 ' O ' ' HB2' ' B' ' 54' ' ' ASP . 0.8 OUTLIER -51.01 -23.84 3.28 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.337 -0.852 . . . . 0.0 109.539 -179.687 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.491 ' O ' ' HB2' ' B' ' 55' ' ' LYS . 2.5 tt0 -80.11 -36.46 35.36 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.298 -0.876 . . . . 0.0 110.051 -179.549 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.901 ' O ' HG22 ' B' ' 56' ' ' VAL . 33.0 t -72.08 -42.24 67.65 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.461 0 O-C-N 121.055 -1.028 . . . . 0.0 109.729 -179.505 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.56 HG21 HG23 ' B' ' 47' ' ' ILE . 87.2 t -78.85 -33.85 16.65 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.129 -0.982 . . . . 0.0 109.68 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 54' ' ' ASP . . . . . 0.535 ' O ' ' CG ' ' B' ' 58' ' ' GLU . 49.4 m-20 -78.8 -20.87 48.75 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.121 -0.987 . . . . 0.0 108.691 179.512 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 55' ' ' LYS . . . . . 0.491 ' HB2' ' O ' ' B' ' 51' ' ' GLU . 23.9 tptp -80.32 -48.27 13.24 Favored 'General case' 0 N--CA 1.485 1.324 0 O-C-N 121.28 -0.888 . . . . 0.0 109.773 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.901 HG22 ' O ' ' B' ' 52' ' ' VAL . 6.1 m -74.88 -37.85 42.59 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.363 0 O-C-N 120.999 -1.063 . . . . 0.0 109.431 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 52.1 tpp -73.11 -23.1 60.46 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.471 -0.768 . . . . 0.0 109.203 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' GLU . . . . . 0.535 ' CG ' ' O ' ' B' ' 54' ' ' ASP . 22.7 mt-10 -77.72 -47.2 19.67 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 119.218 -0.993 . . . . 0.0 108.895 179.437 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 59' ' ' THR . . . . . 0.547 HG22 ' HE3' ' B' ' 29' ' ' LYS . 4.2 m -66.47 -21.21 66.19 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 178.839 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.573 HD22 ' HB2' ' B' ' 33' ' ' LYS . 12.4 mt -74.74 -58.98 2.94 Favored 'General case' 0 N--CA 1.487 1.424 0 CA-C-O 121.671 0.748 . . . . 0.0 109.101 179.414 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.02 -4.89 46.5 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.609 -0.682 . . . . 0.0 109.476 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.45 ' HB2' ' O ' ' B' ' 58' ' ' GLU . 52.9 tt0 -80.27 -54.51 5.66 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.286 -0.884 . . . . 0.0 109.689 -179.762 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.507 ' O ' ' HD3' ' B' ' 29' ' ' LYS . 1.1 t0 -127.99 47.57 2.39 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.415 -0.803 . . . . 0.0 109.996 -179.661 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 64' ' ' GLY . . . . . 0.505 ' HA2' ' HB2' ' B' ' 29' ' ' LYS . . . -39.35 -29.31 0.12 Allowed Glycine 0 N--CA 1.492 2.42 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 179.673 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' B' ' 63' ' ' ASP . 27.6 t70 -92.97 42.46 1.1 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.343 -1.092 . . . . 0.0 109.396 179.587 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 66' ' ' GLY . . . . . 0.524 ' O ' ' CG ' ' B' ' 28' ' ' LYS . . . -120.44 175.32 15.94 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -115.25 152.89 31.89 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.15 -1.206 . . . . 0.0 110.121 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.94 -171.52 2.59 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.382 -0.824 . . . . 0.0 109.189 179.697 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -121.99 174.56 6.83 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.183 -0.948 . . . . 0.0 109.238 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.579 ' HA ' ' CE2' ' B' ' 14' ' ' PHE . 6.8 p90 -72.22 -32.19 66.52 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.206 -0.934 . . . . 0.0 109.207 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.486 ' HG3' ' N ' ' B' ' 72' ' ' GLU . 0.0 OUTLIER -79.87 -29.8 40.07 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.194 -0.941 . . . . 0.0 109.246 179.703 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.486 ' N ' ' HG3' ' B' ' 71' ' ' GLN . 0.6 OUTLIER -72.32 -58.44 3.4 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.299 -0.875 . . . . 0.0 108.728 179.508 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.704 ' O ' HG23 ' B' ' 77' ' ' VAL . 0.0 OUTLIER -57.58 -24.99 59.29 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 179.134 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.794 ' CE ' HD22 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -69.22 -54.7 13.41 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.561 -0.712 . . . . 0.0 109.576 -179.809 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.466 ' O ' ' HG3' ' B' ' 79' ' ' MET . . . -69.15 -15.95 63.53 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.252 -0.905 . . . . 0.0 109.018 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.645 ' O ' HG22 ' B' ' 80' ' ' VAL . 1.4 m-85 -80.0 -37.8 33.45 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.427 -0.796 . . . . 0.0 109.256 179.759 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.842 HG12 ' SD ' ' A' ' 7' ' ' MET . 68.5 t -72.77 -26.25 23.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.384 -0.823 . . . . 0.0 109.905 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 21.5 m -77.97 -50.04 12.92 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.205 -0.935 . . . . 0.0 110.622 -179.14 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 79' ' ' MET . . . . . 0.471 ' HB3' ' CG1' ' B' ' 52' ' ' VAL . 0.5 OUTLIER -54.42 -46.47 73.19 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.067 -1.02 . . . . 0.0 110.552 -179.12 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.787 ' CG1' HG21 ' B' ' 56' ' ' VAL . 3.3 m -63.03 -40.46 89.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.104 -0.998 . . . . 0.0 110.38 -179.15 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.468 ' OG1' ' O ' ' B' ' 77' ' ' VAL . 0.2 OUTLIER -69.43 -10.07 56.38 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.911 -1.118 . . . . 0.0 109.356 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -113.03 -0.06 14.86 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.241 -0.912 . . . . 0.0 109.606 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.532 ' HB1' HG23 ' B' ' 53' ' ' VAL . . . . . . . . 0 N--CA 1.489 1.522 0 O-C-N 121.136 -0.978 . . . . 0.0 109.61 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' SER . . . . . 0.496 ' OG ' ' HB3' ' A' ' 4' ' ' GLU . 93.4 p . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 121.373 0.606 . . . . 0.0 109.69 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.821 ' HB2' HG22 ' B' ' 13' ' ' VAL . 46.6 mm-40 -80.44 -36.0 34.22 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.417 -0.802 . . . . 0.0 109.703 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.689 HD11 HD21 ' B' ' 10' ' ' LEU . 7.0 tp -76.84 -49.39 15.86 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.349 -0.844 . . . . 0.0 110.425 -178.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.539 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 2.6 tm-20 -57.76 -37.32 73.43 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 120.915 -1.115 . . . . 0.0 110.409 -178.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.78 -53.62 6.34 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.823 -1.173 . . . . 0.0 110.471 -179.213 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.62 ' HB1' ' HB3' ' B' ' 9' ' ' ALA . . . -67.11 -58.11 5.5 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.156 -0.965 . . . . 0.0 110.42 -179.032 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.665 ' SD ' HD11 ' B' ' 10' ' ' LEU . 11.3 tpt -51.02 -55.7 16.15 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.334 -0.854 . . . . 0.0 110.112 -179.254 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.539 ' CG2' ' O ' ' A' ' 4' ' ' GLU . 21.6 t -61.29 -30.46 47.97 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.579 0 O-C-N 121.337 -0.852 . . . . 0.0 109.904 -179.175 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.614 ' HB3' ' HB1' ' B' ' 6' ' ' ALA . . . -61.09 -45.78 93.3 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.999 -1.063 . . . . 0.0 108.88 179.49 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.769 HD13 ' CE ' ' A' ' 74' ' ' MET . 0.2 OUTLIER -51.65 -41.0 61.01 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.304 -0.873 . . . . 0.0 108.691 179.589 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.593 ' N ' HD12 ' A' ' 11' ' ' ILE . 1.5 mp -58.22 -41.21 80.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 179.229 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -53.45 -53.05 56.94 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.415 -0.803 . . . . 0.0 109.036 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.824 HG22 ' HB2' ' B' ' 2' ' ' GLU . 52.9 t -45.76 -35.36 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.351 -0.843 . . . . 0.0 109.4 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.969 ' CZ ' HD23 ' A' ' 27' ' ' LEU . 20.2 t80 -60.14 -50.27 74.35 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.246 -0.909 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -77.4 1.65 18.4 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.216 -0.928 . . . . 0.0 109.458 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.462 ' HB2' ' HA ' ' A' ' 13' ' ' VAL . 2.9 tp60 -76.41 -51.38 11.95 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 179.42 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.992 ' CE1' HD21 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -137.43 67.01 1.44 Allowed 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.432 -0.792 . . . . 0.0 109.572 179.109 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.3 t . . . . . 0 N--CA 1.491 1.591 0 O-C-N 121.252 -0.905 . . . . 0.0 108.999 179.717 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.629 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 9.0 t-80 . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.523 0.678 . . . . 0.0 109.733 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.624 ' O ' HD22 ' A' ' 27' ' ' LEU . 7.8 mttt -140.03 168.95 18.63 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.575 -1.328 . . . . 0.0 109.906 179.434 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.969 HD23 ' CZ ' ' A' ' 14' ' ' PHE . 0.6 OUTLIER -131.91 -165.18 1.55 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.465 -0.772 . . . . 0.0 109.098 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.436 ' HA ' ' O ' ' A' ' 66' ' ' GLY . 0.0 OUTLIER -150.02 169.89 20.15 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.205 -0.935 . . . . 0.0 109.78 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.498 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 6.4 mmtt -79.58 -25.78 41.46 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.346 -0.846 . . . . 0.0 109.327 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.01 -38.06 32.87 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.256 -0.903 . . . . 0.0 109.505 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.49 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 10.6 tt0 -83.76 -20.07 34.0 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 179.284 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.526 ' O ' HG13 ' A' ' 36' ' ' ILE . 24.9 tp -80.98 -37.98 28.38 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 178.581 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.642 ' HB2' HD22 ' A' ' 60' ' ' LEU . 3.0 tttt -64.33 -34.24 77.68 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 179.443 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.535 ' HG3' ' N ' ' A' ' 35' ' ' LEU . 8.5 pt-20 -80.25 -42.24 23.55 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 179.511 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.992 HD21 ' CE1' ' A' ' 17' ' ' TYR . 0.1 OUTLIER -45.16 -50.83 11.09 Favored 'General case' 0 C--N 1.295 -1.798 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 179.687 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 1.129 ' CG2' HG21 ' A' ' 80' ' ' VAL . 0.2 OUTLIER -78.8 -49.86 19.7 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 O-C-N 121.412 -0.805 . . . . 0.0 109.915 -179.735 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.554 ' O ' ' CB ' ' A' ' 41' ' ' SER . 15.6 t-20 -72.61 -68.26 0.49 Allowed 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.299 -0.876 . . . . 0.0 110.085 -179.21 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.529 ' HB3' ' O ' ' A' ' 34' ' ' GLU . 13.5 t-20 -43.89 -23.2 0.08 Allowed 'General case' 0 C--N 1.3 -1.585 0 O-C-N 120.919 -1.113 . . . . 0.0 110.334 -179.478 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.465 ' HB2' ' O ' ' A' ' 35' ' ' LEU . 18.4 mm-40 -109.11 -76.39 0.61 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.722 -1.236 . . . . 0.0 111.72 -178.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.583 ' N ' HD23 ' A' ' 40' ' ' LEU . 4.5 mt -66.85 -12.48 59.29 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.921 -1.112 . . . . 0.0 112.041 -177.627 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.554 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 47.2 t -55.92 -40.42 73.06 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.543 -1.348 . . . . 0.0 109.917 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.2 m170 -61.1 -28.28 68.97 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.042 -1.036 . . . . 0.0 109.8 -179.484 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.56 ' O ' ' CG ' ' A' ' 43' ' ' PHE . 18.1 t80 -102.79 1.85 34.76 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.286 -0.884 . . . . 0.0 109.897 -179.532 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.688 HD21 HD11 ' A' ' 47' ' ' ILE . 1.2 tt -113.57 128.56 56.48 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.07 -1.019 . . . . 0.0 109.757 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -165.73 24.42 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.303 -0.873 . . . . 0.0 109.676 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.471 ' OE1' ' HA ' ' A' ' 46' ' ' GLU . 5.1 mm-40 -133.82 -54.15 0.87 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.265 -0.897 . . . . 0.0 108.884 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.688 HD11 HD21 ' A' ' 44' ' ' LEU . 5.9 mt 54.06 96.43 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.335 -0.853 . . . . 0.0 109.83 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.26 -33.17 12.67 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.176 -0.952 . . . . 0.0 109.018 179.403 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.503 ' OE1' HG23 ' A' ' 52' ' ' VAL . 2.7 mm-40 -89.11 68.48 8.23 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.289 -0.882 . . . . 0.0 109.195 179.661 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.529 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 3.6 tp60 -43.78 -26.74 0.27 Allowed 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.247 -0.908 . . . . 0.0 109.536 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 49' ' ' GLU . 4.6 tt0 -76.13 -44.87 36.45 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.202 -0.936 . . . . 0.0 109.823 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.503 HG23 ' OE1' ' A' ' 49' ' ' GLU . 96.9 t -61.19 -55.25 25.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.225 -0.922 . . . . 0.0 109.736 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.546 HG21 HG12 ' A' ' 47' ' ' ILE . 74.5 t -66.88 -29.16 45.38 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.242 -0.911 . . . . 0.0 109.782 -179.645 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.529 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 14.2 t70 -75.89 -21.89 56.67 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.085 -1.009 . . . . 0.0 109.154 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -81.16 -51.64 8.22 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.134 -0.979 . . . . 0.0 109.649 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.597 ' HA ' ' CE2' ' A' ' 76' ' ' PHE . 35.8 m -69.17 -47.08 76.44 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.302 0 O-C-N 121.068 -1.02 . . . . 0.0 108.756 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.595 ' N ' HG23 ' A' ' 56' ' ' VAL . 28.8 tpp -62.95 -20.03 64.84 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 178.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.521 ' CG ' ' O ' ' A' ' 54' ' ' ASP . 2.7 mt-10 -72.46 -57.56 4.07 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.494 -0.754 . . . . 0.0 109.588 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.466 ' O ' ' HB3' ' A' ' 62' ' ' GLU . 0.2 OUTLIER -58.87 -38.71 79.42 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.465 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.642 HD22 ' HB2' ' A' ' 33' ' ' LYS . 12.0 mt -55.06 -55.38 31.67 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 179.239 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.81 -2.04 45.54 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.466 -0.771 . . . . 0.0 109.386 179.594 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.466 ' HB3' ' O ' ' A' ' 59' ' ' THR . 40.1 tt0 -68.2 -32.37 72.54 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.129 -0.982 . . . . 0.0 109.178 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -150.51 -48.66 0.13 Allowed 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.33 -0.857 . . . . 0.0 109.637 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.45 ' C ' ' HB2' ' A' ' 29' ' ' LYS . . . 88.23 -19.3 36.01 Favored Glycine 0 N--CA 1.489 2.224 0 N-CA-C 109.463 -1.455 . . . . 0.0 109.463 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -121.54 83.41 2.08 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.351 -1.088 . . . . 0.0 109.346 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.436 ' O ' ' HA ' ' A' ' 28' ' ' LYS . . . -143.39 -177.36 18.27 Favored Glycine 0 N--CA 1.488 2.111 0 N-CA-C 109.531 -1.428 . . . . 0.0 109.531 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -121.86 127.47 50.54 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.311 -1.111 . . . . 0.0 109.46 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 49.5 m -109.78 168.45 9.41 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.284 -0.885 . . . . 0.0 109.848 -179.622 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -99.25 -170.35 1.9 Allowed 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.232 -0.917 . . . . 0.0 109.001 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.611 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 3.4 p90 -84.47 -36.81 22.02 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.105 -0.997 . . . . 0.0 109.593 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.604 ' HG2' ' CD2' ' A' ' 70' ' ' PHE . 0.3 OUTLIER -81.12 -13.78 58.34 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.867 -1.146 . . . . 0.0 108.978 179.077 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.456 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 1.5 mm-40 -78.35 -48.4 15.66 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.313 -0.867 . . . . 0.0 108.701 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.588 ' CE1' ' HG ' ' A' ' 35' ' ' LEU . 0.3 OUTLIER -68.73 -29.97 68.5 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.276 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.769 ' CE ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -74.15 -45.78 46.55 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.366 -0.834 . . . . 0.0 109.528 -179.761 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.532 ' O ' ' CG ' ' A' ' 79' ' ' MET . . . -72.03 -18.39 61.96 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.416 -0.803 . . . . 0.0 108.957 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.597 ' CE2' ' HA ' ' A' ' 56' ' ' VAL . 0.2 OUTLIER -80.06 -37.94 32.86 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.421 -0.8 . . . . 0.0 109.609 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.71 HG12 ' HE2' ' B' ' 7' ' ' MET . 98.6 t -70.19 -27.0 30.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.224 -0.923 . . . . 0.0 109.51 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.654 ' O ' HG23 ' A' ' 82' ' ' THR . 15.8 m -76.05 -26.09 56.24 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.188 -0.945 . . . . 0.0 109.671 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.532 ' CG ' ' O ' ' A' ' 75' ' ' ALA . 5.2 mtp -69.44 -50.61 44.09 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.276 -0.89 . . . . 0.0 109.142 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 1.129 HG21 ' CG2' ' A' ' 36' ' ' ILE . 12.0 m -70.54 -40.97 77.92 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.361 0 O-C-N 121.386 -0.822 . . . . 0.0 109.95 -179.614 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.507 ' OG1' ' CD1' ' A' ' 40' ' ' LEU . 22.1 m -67.43 -9.99 47.08 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.132 -0.98 . . . . 0.0 109.046 179.343 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.654 HG23 ' O ' ' A' ' 78' ' ' SER . 74.2 p -115.12 -11.79 12.0 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.376 -0.828 . . . . 0.0 109.353 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.488 ' O ' ' HA ' ' A' ' 47' ' ' ILE . . . . . . . . 0 N--CA 1.489 1.481 0 O-C-N 121.322 -0.861 . . . . 0.0 109.337 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 1' ' ' SER . . . . . 0.501 ' OG ' ' HB3' ' B' ' 4' ' ' GLU . 93.4 p . . . . . 0 N--CA 1.49 1.56 0 CA-C-O 121.378 0.608 . . . . 0.0 109.643 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.824 ' HB2' HG22 ' A' ' 13' ' ' VAL . 46.3 mm-40 -80.44 -36.01 34.2 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.399 -0.813 . . . . 0.0 109.792 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.674 HD11 HD21 ' A' ' 10' ' ' LEU . 7.0 tp -76.78 -49.41 15.97 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.371 -0.831 . . . . 0.0 110.416 -179.008 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 4' ' ' GLU . . . . . 0.542 ' O ' ' CG2' ' B' ' 8' ' ' VAL . 2.6 tm-20 -57.74 -37.36 73.45 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 120.923 -1.111 . . . . 0.0 110.462 -178.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.75 -53.64 6.33 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.863 -1.148 . . . . 0.0 110.462 -179.247 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.614 ' HB1' ' HB3' ' A' ' 9' ' ' ALA . . . -67.04 -58.21 5.36 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.078 -1.014 . . . . 0.0 110.487 -179.023 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 7' ' ' MET . . . . . 0.71 ' HE2' HG12 ' A' ' 77' ' ' VAL . 11.4 tpt -50.89 -55.71 15.78 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.282 -0.887 . . . . 0.0 110.124 -179.312 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.542 ' CG2' ' O ' ' B' ' 4' ' ' GLU . 21.6 t -61.32 -30.47 48.01 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 O-C-N 121.319 -0.863 . . . . 0.0 110.0 -179.195 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.62 ' HB3' ' HB1' ' A' ' 6' ' ' ALA . . . -61.16 -45.73 93.45 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.888 -1.132 . . . . 0.0 108.934 179.414 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.778 HD13 ' CE ' ' B' ' 74' ' ' MET . 0.2 OUTLIER -51.58 -41.11 60.93 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.272 -0.892 . . . . 0.0 108.628 179.514 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.605 ' N ' HD12 ' B' ' 11' ' ' ILE . 1.5 mp -58.04 -41.41 80.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 N-CA-C 108.555 -0.905 . . . . 0.0 108.555 179.158 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -53.3 -53.01 57.12 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.471 -0.768 . . . . 0.0 109.066 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' VAL . . . . . 0.821 HG22 ' HB2' ' A' ' 2' ' ' GLU . 53.2 t -45.83 -35.4 2.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.339 -0.851 . . . . 0.0 109.399 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.975 ' CZ ' HD23 ' B' ' 27' ' ' LEU . 20.3 t80 -60.11 -50.3 74.25 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.196 -0.94 . . . . 0.0 109.223 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -77.31 1.54 18.46 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.345 -0.847 . . . . 0.0 109.543 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.455 ' HB2' ' HA ' ' B' ' 13' ' ' VAL . 2.9 tp60 -76.4 -51.29 12.15 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 179.383 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.98 ' CE1' HD21 ' B' ' 35' ' ' LEU . 0.1 OUTLIER -137.42 66.94 1.44 Allowed 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.433 -0.792 . . . . 0.0 109.506 179.177 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 8.4 t . . . . . 0 N--CA 1.491 1.585 0 O-C-N 121.391 -0.818 . . . . 0.0 109.047 179.654 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 25' ' ' HIS . . . . . 0.629 ' CG ' ' O ' ' B' ' 25' ' ' HIS . 9.0 t-80 . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.49 0.662 . . . . 0.0 109.723 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.623 ' O ' HD22 ' B' ' 27' ' ' LEU . 7.7 mttt -140.02 168.98 18.56 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.539 -1.35 . . . . 0.0 109.95 179.434 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.975 HD23 ' CZ ' ' B' ' 14' ' ' PHE . 0.6 OUTLIER -131.96 -165.2 1.55 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.491 -0.756 . . . . 0.0 109.153 179.891 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.436 ' HA ' ' O ' ' B' ' 66' ' ' GLY . 0.0 OUTLIER -149.99 169.97 19.94 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.113 -0.992 . . . . 0.0 109.788 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.485 ' O ' ' HB2' ' B' ' 33' ' ' LYS . 6.4 mmtt -79.66 -25.74 41.22 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.275 -0.891 . . . . 0.0 109.254 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.96 -38.15 32.88 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.362 -0.836 . . . . 0.0 109.519 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.499 ' O ' ' HG2' ' B' ' 34' ' ' GLU . 10.6 tt0 -83.75 -19.97 34.2 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 179.335 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.522 ' O ' HG13 ' B' ' 36' ' ' ILE . 24.7 tp -81.08 -38.02 28.01 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 178.589 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.642 ' HB2' HD22 ' B' ' 60' ' ' LEU . 3.1 tttt -64.21 -34.19 77.53 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 179.5 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.55 ' HG3' ' N ' ' B' ' 35' ' ' LEU . 8.4 pt-20 -80.35 -42.32 23.13 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 179.561 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.98 HD21 ' CE1' ' B' ' 17' ' ' TYR . 0.1 OUTLIER -45.05 -50.78 10.67 Favored 'General case' 0 C--N 1.295 -1.792 0 CA-C-O 121.432 0.634 . . . . 0.0 109.303 179.603 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 1.124 ' CG2' HG21 ' B' ' 80' ' ' VAL . 0.2 OUTLIER -78.88 -49.77 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.308 -0.87 . . . . 0.0 109.961 -179.764 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.557 ' O ' ' CB ' ' B' ' 41' ' ' SER . 15.7 t-20 -72.65 -68.39 0.48 Allowed 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.317 -0.865 . . . . 0.0 109.901 -179.167 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.523 ' HB3' ' O ' ' B' ' 34' ' ' GLU . 13.5 t-20 -43.8 -23.13 0.07 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.81 -1.181 . . . . 0.0 110.447 -179.46 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.465 ' HB2' ' O ' ' B' ' 35' ' ' LEU . 18.3 mm-40 -109.2 -76.37 0.61 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.735 -1.228 . . . . 0.0 111.709 -178.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.579 ' N ' HD23 ' B' ' 40' ' ' LEU . 4.5 mt -66.89 -12.52 59.62 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.904 -1.122 . . . . 0.0 112.027 -177.606 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.557 ' CB ' ' O ' ' B' ' 37' ' ' ASN . 46.9 t -55.91 -40.38 72.98 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.652 -1.28 . . . . 0.0 109.881 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 1.3 m170 -61.1 -28.34 69.02 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.147 -0.971 . . . . 0.0 109.852 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' PHE . . . . . 0.565 ' O ' ' CG ' ' B' ' 43' ' ' PHE . 18.1 t80 -102.76 1.79 34.76 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.247 -0.908 . . . . 0.0 109.948 -179.457 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.68 HD21 HD11 ' B' ' 47' ' ' ILE . 1.2 tt -113.53 128.61 56.5 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.169 -0.957 . . . . 0.0 109.868 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -165.78 24.54 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.27 -0.894 . . . . 0.0 109.645 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' GLU . . . . . 0.463 ' OE1' ' HA ' ' B' ' 46' ' ' GLU . 5.1 mm-40 -133.78 -53.96 0.87 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.208 -0.932 . . . . 0.0 109.016 179.729 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.68 HD11 HD21 ' B' ' 44' ' ' LEU . 5.9 mt 53.92 96.38 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 O-C-N 121.361 -0.837 . . . . 0.0 109.92 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.26 -33.09 12.7 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.293 -0.879 . . . . 0.0 108.994 179.484 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.492 ' OE1' HG23 ' B' ' 52' ' ' VAL . 2.7 mm-40 -89.17 68.59 8.18 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.33 -0.856 . . . . 0.0 109.123 179.693 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 50' ' ' GLN . . . . . 0.521 ' O ' ' CB ' ' B' ' 54' ' ' ASP . 3.6 tp60 -43.87 -26.65 0.28 Allowed 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.31 -0.869 . . . . 0.0 109.626 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' B' ' 49' ' ' GLU . 4.6 tt0 -76.14 -44.92 36.08 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.283 -0.886 . . . . 0.0 109.73 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.492 HG23 ' OE1' ' B' ' 49' ' ' GLU . 96.9 t -61.22 -55.24 25.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.133 -0.979 . . . . 0.0 109.707 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.543 HG21 HG12 ' B' ' 47' ' ' ILE . 75.1 t -66.94 -29.17 45.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.302 -0.874 . . . . 0.0 109.721 -179.617 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 54' ' ' ASP . . . . . 0.532 ' O ' ' CG ' ' B' ' 58' ' ' GLU . 14.3 t70 -75.89 -21.8 56.77 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.22 -0.925 . . . . 0.0 109.137 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -81.14 -51.68 8.19 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.309 -0.869 . . . . 0.0 109.74 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.596 ' HA ' ' CE2' ' B' ' 76' ' ' PHE . 35.8 m -69.09 -47.16 76.55 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.228 0 O-C-N 121.046 -1.034 . . . . 0.0 108.704 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.587 ' N ' HG23 ' B' ' 56' ' ' VAL . 28.8 tpp -63.01 -19.93 64.83 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 58' ' ' GLU . . . . . 0.532 ' CG ' ' O ' ' B' ' 54' ' ' ASP . 2.7 mt-10 -72.45 -57.51 4.12 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.429 -0.794 . . . . 0.0 109.572 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 59' ' ' THR . . . . . 0.461 ' O ' ' HB3' ' B' ' 62' ' ' GLU . 0.2 OUTLIER -58.96 -38.68 79.63 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 179.468 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.642 HD22 ' HB2' ' B' ' 33' ' ' LYS . 12.0 mt -55.08 -55.34 32.17 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 179.313 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.9 -1.96 45.56 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.444 -0.785 . . . . 0.0 109.394 179.641 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.461 ' HB3' ' O ' ' B' ' 59' ' ' THR . 40.1 tt0 -68.36 -32.28 72.27 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.093 -1.005 . . . . 0.0 109.127 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -150.51 -48.7 0.13 Allowed 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.35 -0.844 . . . . 0.0 109.662 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 64' ' ' GLY . . . . . 0.453 ' C ' ' HB2' ' B' ' 29' ' ' LYS . . . 88.3 -19.33 36.13 Favored Glycine 0 N--CA 1.489 2.208 0 N-CA-C 109.489 -1.445 . . . . 0.0 109.489 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -121.53 83.54 2.1 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.29 -1.123 . . . . 0.0 109.36 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 66' ' ' GLY . . . . . 0.436 ' O ' ' HA ' ' B' ' 28' ' ' LYS . . . -143.49 -177.44 18.43 Favored Glycine 0 N--CA 1.486 1.981 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -121.74 127.62 50.87 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.159 -1.2 . . . . 0.0 109.453 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 48.7 m -109.97 168.46 9.41 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.339 -0.851 . . . . 0.0 109.806 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -99.25 -170.19 1.88 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.258 -0.901 . . . . 0.0 109.085 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.61 ' HA ' ' CE2' ' B' ' 14' ' ' PHE . 3.4 p90 -84.57 -36.8 21.86 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.06 -1.025 . . . . 0.0 109.536 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.609 ' HG2' ' CD2' ' B' ' 70' ' ' PHE . 0.3 OUTLIER -81.16 -13.87 58.2 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.864 -1.148 . . . . 0.0 109.002 179.048 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.46 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 1.6 mm-40 -78.23 -48.41 15.84 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.303 -0.873 . . . . 0.0 108.746 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.585 ' CE1' ' HG ' ' B' ' 35' ' ' LEU . 0.3 OUTLIER -68.7 -29.92 68.46 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 179.212 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.778 ' CE ' HD13 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -74.2 -45.78 46.12 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.374 -0.829 . . . . 0.0 109.414 -179.759 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.52 ' O ' ' CG ' ' B' ' 79' ' ' MET . . . -72.25 -18.22 61.84 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.29 -0.881 . . . . 0.0 109.032 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.596 ' CE2' ' HA ' ' B' ' 56' ' ' VAL . 0.2 OUTLIER -80.09 -37.94 32.7 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.42 -0.8 . . . . 0.0 109.567 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.662 HG12 ' HE2' ' A' ' 7' ' ' MET . 98.7 t -70.22 -26.91 30.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.247 -0.908 . . . . 0.0 109.597 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 78' ' ' SER . . . . . 0.66 ' O ' HG23 ' B' ' 82' ' ' THR . 15.9 m -76.13 -26.02 55.94 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.207 -0.933 . . . . 0.0 109.631 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 79' ' ' MET . . . . . 0.52 ' CG ' ' O ' ' B' ' 75' ' ' ALA . 5.2 mtp -69.49 -50.59 43.85 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.29 -0.881 . . . . 0.0 109.166 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 1.124 HG21 ' CG2' ' B' ' 36' ' ' ILE . 11.9 m -70.57 -41.04 77.92 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.452 0 O-C-N 121.439 -0.788 . . . . 0.0 109.862 -179.64 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.523 ' OG1' ' CD1' ' B' ' 40' ' ' LEU . 22.3 m -67.41 -10.1 48.04 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.109 -0.994 . . . . 0.0 108.945 179.476 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.66 HG23 ' O ' ' B' ' 78' ' ' SER . 72.7 p -115.06 -11.77 12.05 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.333 -0.855 . . . . 0.0 109.371 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.494 ' O ' ' HA ' ' B' ' 47' ' ' ILE . . . . . . . . 0 N--CA 1.489 1.5 0 O-C-N 121.286 -0.884 . . . . 0.0 109.393 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' SER . . . . . 0.461 ' O ' ' HB3' ' A' ' 5' ' ' LYS . 1.0 OUTLIER . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.535 ' HB3' HG22 ' B' ' 13' ' ' VAL . 0.1 OUTLIER -80.24 -63.12 1.48 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.165 -0.959 . . . . 0.0 109.899 -179.844 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.616 HD23 ' HG ' ' B' ' 40' ' ' LEU . 6.2 tp -70.73 -50.83 32.03 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.324 -0.86 . . . . 0.0 109.829 -179.591 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.542 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 12.8 tm-20 -51.16 -36.97 43.73 Favored 'General case' 0 C--N 1.295 -1.776 0 O-C-N 121.283 -0.886 . . . . 0.0 110.313 -178.838 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.69 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.1 OUTLIER -81.07 -37.82 28.37 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.785 -1.197 . . . . 0.0 109.798 -179.73 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.58 ' HB1' ' HB3' ' B' ' 9' ' ' ALA . . . -80.42 -69.18 0.61 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.23 -0.918 . . . . 0.0 109.822 -179.682 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' MET . . . . . 1.023 ' HE2' HG12 ' B' ' 77' ' ' VAL . 1.2 tpt -42.52 -51.99 4.88 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.267 -0.896 . . . . 0.0 109.585 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.542 ' CG2' ' O ' ' A' ' 4' ' ' GLU . 17.9 t -66.05 -36.2 76.9 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 O-C-N 121.418 -0.801 . . . . 0.0 109.245 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.69 ' HB2' ' O ' ' A' ' 5' ' ' LYS . . . -52.64 -40.43 62.77 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.066 -1.021 . . . . 0.0 108.431 179.139 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.714 HD22 ' CE ' ' A' ' 74' ' ' MET . 0.8 OUTLIER -56.12 -45.61 79.47 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 178.858 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.476 ' HB ' ' O ' ' A' ' 8' ' ' VAL . 1.2 mt -52.47 -36.24 21.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 178.791 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -58.65 -56.32 23.65 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.403 -0.811 . . . . 0.0 109.808 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.568 HG22 ' HB3' ' B' ' 2' ' ' GLU . 76.9 t -46.42 -32.11 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.169 -0.957 . . . . 0.0 109.636 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.982 ' CZ ' HD23 ' A' ' 27' ' ' LEU . 32.2 t80 -62.65 -47.69 82.6 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.118 -0.989 . . . . 0.0 109.696 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.445 ' O ' ' CG ' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -75.31 -2.76 29.77 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.189 -0.945 . . . . 0.0 109.262 -179.761 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.86 -32.05 12.29 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.237 -0.914 . . . . 0.0 109.143 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.48 ' CD2' ' CD2' ' A' ' 35' ' ' LEU . 3.4 m-30 -102.9 -57.1 2.1 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.375 -0.828 . . . . 0.0 109.243 179.691 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.511 ' CB ' ' CD2' ' A' ' 27' ' ' LEU . 2.8 t . . . . . 0 N--CA 1.493 1.699 0 O-C-N 121.312 -0.868 . . . . 0.0 109.212 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 19.9 m170 . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.132 0.491 . . . . 0.0 109.914 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.62 136.26 18.12 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.195 -0.941 . . . . 0.0 109.143 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.982 HD23 ' CZ ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -98.42 -167.89 1.57 Allowed 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.094 -1.003 . . . . 0.0 109.558 179.931 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -150.51 129.13 12.28 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 179.706 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.63 ' O ' HD22 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -43.5 -24.18 0.1 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.108 -0.995 . . . . 0.0 110.188 -179.393 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 28' ' ' LYS . 1.6 m -77.67 -45.29 25.36 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.897 -1.127 . . . . 0.0 109.841 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.507 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 1.1 tp10 -74.28 -14.98 60.98 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.079 -1.013 . . . . 0.0 108.72 179.671 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.517 ' O ' HG13 ' A' ' 36' ' ' ILE . 20.1 tp -81.54 -47.84 12.58 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 178.398 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.2 ttmt -50.82 -42.38 58.35 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 178.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.562 ' HG3' ' N ' ' A' ' 35' ' ' LEU . 5.6 pt-20 -74.65 -44.2 51.54 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.457 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.59 ' CD1' HD22 ' B' ' 3' ' ' LEU . 0.2 OUTLIER -43.63 -41.36 4.61 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 179.471 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.733 HD13 HG21 ' A' ' 80' ' ' VAL . 0.7 OUTLIER -80.47 -63.79 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 121.338 -0.851 . . . . 0.0 109.951 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.506 ' HA ' ' HB2' ' A' ' 41' ' ' SER . 38.3 t-20 -66.36 -61.87 1.78 Allowed 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.067 -1.021 . . . . 0.0 110.137 -179.188 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.496 ' HB3' ' O ' ' A' ' 34' ' ' GLU . 10.4 t30 -43.48 -44.52 5.97 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.306 -0.871 . . . . 0.0 110.321 -179.519 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.492 ' HG2' ' HB3' ' B' ' 3' ' ' LEU . 0.5 OUTLIER -92.43 -75.7 0.48 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.998 -1.064 . . . . 0.0 110.856 -179.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.578 ' HG ' HD23 ' B' ' 3' ' ' LEU . 54.5 mt -56.58 -95.19 0.0 OUTLIER 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.088 -1.007 . . . . 0.0 110.036 -178.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.506 ' HB2' ' HA ' ' A' ' 37' ' ' ASN . 39.4 t 42.2 74.14 0.12 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.19 -0.944 . . . . 0.0 109.721 -179.734 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -149.04 -46.31 0.14 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.024 -1.048 . . . . 0.0 109.916 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -98.11 90.89 5.03 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.128 -0.983 . . . . 0.0 109.218 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.64 69.76 1.29 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.317 -0.865 . . . . 0.0 109.472 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -130.09 -51.24 1.12 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.174 -0.953 . . . . 0.0 109.581 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 51.5 mp0 -119.3 68.05 0.8 Allowed 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.395 -0.815 . . . . 0.0 109.478 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.6 mt -64.56 127.79 25.94 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.22 -0.925 . . . . 0.0 109.685 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -98.58 -37.45 9.53 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.208 -0.932 . . . . 0.0 109.282 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.734 ' OE1' HG23 ' A' ' 52' ' ' VAL . 15.1 mm-40 -94.78 61.86 2.64 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.234 -0.916 . . . . 0.0 109.344 179.677 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.475 ' O ' ' HB2' ' A' ' 54' ' ' ASP . 14.7 tt0 -53.63 -25.73 19.02 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.182 -0.949 . . . . 0.0 109.404 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.464 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 0.7 OUTLIER -74.9 -35.77 62.23 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.287 -0.883 . . . . 0.0 109.707 -179.869 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.734 HG23 ' OE1' ' A' ' 49' ' ' GLU . 54.6 t -65.55 -56.35 15.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.222 -0.924 . . . . 0.0 109.729 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.406 HG23 ' CB ' ' A' ' 83' ' ' ALA . 76.9 t -67.44 -27.98 40.55 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.317 -0.864 . . . . 0.0 109.757 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.521 ' O ' ' CG ' ' A' ' 58' ' ' GLU . 29.4 m-20 -76.79 -24.14 52.87 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.122 -0.986 . . . . 0.0 109.343 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' A' ' 51' ' ' GLU . 2.1 tmtt? -80.53 -48.29 12.97 Favored 'General case' 0 C--N 1.306 -1.299 0 O-C-N 121.262 -0.899 . . . . 0.0 109.775 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.639 HG21 ' CG1' ' A' ' 80' ' ' VAL . 21.3 m -71.45 -41.45 73.02 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 O-C-N 121.055 -1.028 . . . . 0.0 109.351 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.463 ' N ' HG23 ' A' ' 56' ' ' VAL . 60.5 tpp -68.87 -24.37 64.33 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.518 -0.739 . . . . 0.0 109.089 179.611 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.521 ' CG ' ' O ' ' A' ' 54' ' ' ASP . 15.8 mt-10 -77.24 -53.57 7.56 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.255 -0.903 . . . . 0.0 109.644 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.481 ' HA ' ' HB2' ' A' ' 62' ' ' GLU . 48.9 m -63.04 -31.62 72.8 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.376 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.63 HD22 ' O ' ' A' ' 29' ' ' LYS . 9.7 mt -63.82 -54.01 41.83 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.505 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -80.59 -2.52 46.67 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.387 -0.821 . . . . 0.0 109.628 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.481 ' HB2' ' HA ' ' A' ' 59' ' ' THR . 3.5 tt0 -72.57 -45.59 58.49 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.182 -0.949 . . . . 0.0 109.794 -179.673 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.532 ' HB3' ' CE ' ' A' ' 29' ' ' LYS . 58.1 t0 -113.67 -56.08 2.44 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.335 -0.853 . . . . 0.0 109.616 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.76 -45.1 3.45 Favored Glycine 0 N--CA 1.489 2.22 0 N-CA-C 109.434 -1.466 . . . . 0.0 109.434 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -108.17 72.65 0.85 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.315 -1.109 . . . . 0.0 109.33 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -134.01 162.86 24.54 Favored Glycine 0 N--CA 1.486 1.992 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -93.43 133.13 37.02 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.226 -1.161 . . . . 0.0 109.7 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.451 ' SG ' ' OE2' ' A' ' 72' ' ' GLU . 74.1 m -119.9 161.39 20.94 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.327 -0.858 . . . . 0.0 109.005 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -98.83 -177.52 3.67 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.149 -0.97 . . . . 0.0 109.084 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.51 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 0.9 OUTLIER -83.64 -28.71 28.23 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.325 -0.86 . . . . 0.0 109.331 179.75 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.531 ' HG3' ' N ' ' A' ' 72' ' ' GLU . 0.9 OUTLIER -81.35 -27.52 34.88 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.302 -0.874 . . . . 0.0 110.125 -179.778 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.574 ' HG3' ' N ' ' A' ' 73' ' ' PHE . 3.2 pt-20 -73.83 -47.19 40.23 Favored 'General case' 0 C--N 1.308 -1.225 0 O-C-N 120.859 -1.15 . . . . 0.0 108.749 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.732 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -65.41 -26.96 68.21 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 107.915 -1.142 . . . . 0.0 107.915 178.777 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.714 ' CE ' HD22 ' A' ' 10' ' ' LEU . 0.3 OUTLIER -66.6 -52.89 40.29 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.599 -0.688 . . . . 0.0 109.706 -179.757 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.485 ' O ' ' HG3' ' A' ' 79' ' ' MET . . . -71.07 -20.7 62.33 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.23 -0.919 . . . . 0.0 109.193 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.714 ' O ' HG22 ' A' ' 80' ' ' VAL . 1.5 m-85 -76.57 -30.79 57.19 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.242 -0.911 . . . . 0.0 109.309 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 1.074 HG12 ' HE2' ' B' ' 7' ' ' MET . 87.3 t -74.76 -26.87 19.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.147 -0.971 . . . . 0.0 109.501 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.87 -48.85 12.81 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.217 -0.927 . . . . 0.0 110.055 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.485 ' HG3' ' O ' ' A' ' 75' ' ' ALA . 0.4 OUTLIER -52.74 -45.98 67.26 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.205 -0.935 . . . . 0.0 110.38 -179.473 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.733 HG21 HD13 ' A' ' 36' ' ' ILE . 7.3 m -71.2 -40.49 74.56 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.465 0 O-C-N 121.127 -0.983 . . . . 0.0 110.629 -179.152 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.461 HG22 HD11 ' B' ' 11' ' ' ILE . 4.2 m -74.35 -1.99 23.32 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.908 -1.12 . . . . 0.0 109.487 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.411 HG21 ' HG3' ' B' ' 74' ' ' MET . 73.4 p -124.78 -8.78 7.29 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.276 -0.89 . . . . 0.0 109.528 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.596 ' HB2' HG11 ' A' ' 52' ' ' VAL . . . . . . . . 0 N--CA 1.489 1.483 0 O-C-N 121.196 -0.94 . . . . 0.0 109.439 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 1' ' ' SER . . . . . 0.454 ' O ' ' HB3' ' B' ' 5' ' ' LYS . 1.0 OUTLIER . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.568 ' HB3' HG22 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -80.31 -63.23 1.46 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.256 -0.903 . . . . 0.0 109.862 -179.781 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.59 HD22 ' CD1' ' A' ' 35' ' ' LEU . 6.2 tp -70.72 -50.76 32.84 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.403 -0.811 . . . . 0.0 109.787 -179.583 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 4' ' ' GLU . . . . . 0.539 ' O ' ' CG2' ' B' ' 8' ' ' VAL . 12.8 tm-20 -51.17 -36.9 43.39 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 121.326 -0.859 . . . . 0.0 110.404 -178.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.685 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 0.1 OUTLIER -81.17 -37.94 27.93 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.765 -1.209 . . . . 0.0 109.707 -179.758 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.582 ' HB1' ' HB3' ' A' ' 9' ' ' ALA . . . -80.36 -69.25 0.61 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.28 -0.888 . . . . 0.0 109.848 -179.661 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 7' ' ' MET . . . . . 1.074 ' HE2' HG12 ' A' ' 77' ' ' VAL . 1.1 tpt -42.47 -51.93 4.85 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.316 -0.865 . . . . 0.0 109.542 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.539 ' CG2' ' O ' ' B' ' 4' ' ' GLU . 18.1 t -66.07 -36.21 76.9 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.601 0 O-C-N 121.37 -0.832 . . . . 0.0 109.314 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.685 ' HB2' ' O ' ' B' ' 5' ' ' LYS . . . -52.61 -40.51 62.79 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.978 -1.076 . . . . 0.0 108.374 179.071 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.718 HD22 ' CE ' ' B' ' 74' ' ' MET . 0.8 OUTLIER -56.01 -45.72 78.99 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 178.9 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.488 ' HB ' ' O ' ' B' ' 8' ' ' VAL . 1.2 mt -52.51 -36.19 21.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 178.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -58.56 -56.35 23.32 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.407 -0.808 . . . . 0.0 109.818 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' VAL . . . . . 0.535 HG22 ' HB3' ' A' ' 2' ' ' GLU . 76.4 t -46.41 -32.17 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.143 -0.973 . . . . 0.0 109.68 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.99 ' CZ ' HD23 ' B' ' 27' ' ' LEU . 32.1 t80 -62.65 -47.58 83.1 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.227 -0.921 . . . . 0.0 109.718 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 15' ' ' HIS . . . . . 0.433 ' O ' ' CG ' ' B' ' 15' ' ' HIS . 0.0 OUTLIER -75.38 -2.72 29.78 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.172 -0.955 . . . . 0.0 109.271 -179.779 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.92 -32.15 12.2 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.168 -0.958 . . . . 0.0 109.141 179.708 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.477 ' CD2' ' CD2' ' B' ' 35' ' ' LEU . 3.4 m-30 -102.92 -57.13 2.1 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.39 -0.819 . . . . 0.0 109.166 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 18' ' ' SER . . . . . 0.519 ' CB ' ' CD2' ' B' ' 27' ' ' LEU . 2.8 t . . . . . 0 N--CA 1.491 1.597 0 O-C-N 121.323 -0.86 . . . . 0.0 109.098 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 19.5 m170 . . . . . 0 N--CA 1.493 1.684 0 CA-C-O 121.144 0.497 . . . . 0.0 109.869 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.55 136.31 18.24 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.199 -0.938 . . . . 0.0 109.165 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.99 HD23 ' CZ ' ' B' ' 14' ' ' PHE . 0.3 OUTLIER -98.63 -167.87 1.56 Allowed 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.209 -0.932 . . . . 0.0 109.573 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' B' ' 30' ' ' SER . 0.0 OUTLIER -150.43 129.17 12.37 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 179.767 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.628 ' O ' HD22 ' B' ' 60' ' ' LEU . 0.0 OUTLIER -43.52 -24.15 0.1 Allowed 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.077 -1.015 . . . . 0.0 110.166 -179.348 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.433 ' N ' ' O ' ' B' ' 28' ' ' LYS . 1.6 m -77.74 -45.19 25.42 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.859 -1.15 . . . . 0.0 109.894 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.509 ' O ' ' HG2' ' B' ' 34' ' ' GLU . 1.1 tp10 -74.36 -14.97 60.95 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.089 -1.007 . . . . 0.0 108.701 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.524 ' O ' HG13 ' B' ' 36' ' ' ILE . 20.3 tp -81.51 -47.94 12.48 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 107.334 -1.358 . . . . 0.0 107.334 178.373 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 18.2 ttmt -50.82 -42.37 58.3 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 178.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.555 ' HG3' ' N ' ' B' ' 35' ' ' LEU . 5.5 pt-20 -74.71 -44.12 51.61 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 179.495 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.561 HD11 HD13 ' A' ' 3' ' ' LEU . 0.2 OUTLIER -43.81 -41.2 4.87 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 179.525 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.717 HD13 HG21 ' B' ' 80' ' ' VAL . 0.7 OUTLIER -80.52 -63.96 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.285 -0.884 . . . . 0.0 109.888 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.503 ' HA ' ' HB2' ' B' ' 41' ' ' SER . 38.2 t-20 -66.26 -61.87 1.78 Allowed 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.106 -0.996 . . . . 0.0 110.072 -179.181 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.501 ' HB3' ' O ' ' B' ' 34' ' ' GLU . 10.4 t30 -43.61 -44.43 6.27 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.221 -0.924 . . . . 0.0 110.298 -179.41 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.461 ' HG2' ' HB3' ' A' ' 3' ' ' LEU . 0.5 OUTLIER -92.45 -75.79 0.48 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.982 -1.074 . . . . 0.0 110.814 -179.041 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.616 ' HG ' HD23 ' A' ' 3' ' ' LEU . 54.4 mt -56.61 -95.17 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.357 0 O-C-N 121.131 -0.981 . . . . 0.0 110.069 -178.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.503 ' HB2' ' HA ' ' B' ' 37' ' ' ASN . 39.1 t 42.31 74.1 0.12 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.196 -0.94 . . . . 0.0 109.667 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -148.98 -46.35 0.14 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.093 -1.004 . . . . 0.0 109.867 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -98.19 91.12 5.1 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.134 -0.979 . . . . 0.0 109.235 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.78 69.68 1.29 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.319 -0.863 . . . . 0.0 109.46 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -130.05 -51.31 1.12 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.225 -0.922 . . . . 0.0 109.584 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 51.4 mp0 -119.29 68.07 0.8 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.418 -0.801 . . . . 0.0 109.433 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 3.6 mt -64.62 127.9 26.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.2 -0.937 . . . . 0.0 109.55 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -98.64 -37.51 9.48 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.236 -0.915 . . . . 0.0 109.231 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.744 ' OE1' HG23 ' B' ' 52' ' ' VAL . 15.0 mm-40 -94.82 61.93 2.63 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.28 -0.887 . . . . 0.0 109.292 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 50' ' ' GLN . . . . . 0.461 ' O ' ' HB2' ' B' ' 54' ' ' ASP . 14.8 tt0 -53.71 -25.59 19.14 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.246 -0.909 . . . . 0.0 109.402 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.478 ' O ' ' HB2' ' B' ' 55' ' ' LYS . 0.7 OUTLIER -74.97 -35.75 62.08 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.31 -0.869 . . . . 0.0 109.719 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.744 HG23 ' OE1' ' B' ' 49' ' ' GLU . 54.5 t -65.45 -56.46 15.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.094 -1.004 . . . . 0.0 109.713 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 77.4 t -67.59 -27.83 39.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.253 -0.904 . . . . 0.0 109.664 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' ASP . . . . . 0.525 ' O ' ' CG ' ' B' ' 58' ' ' GLU . 29.6 m-20 -76.93 -24.14 52.42 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.285 -0.884 . . . . 0.0 109.163 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 55' ' ' LYS . . . . . 0.478 ' HB2' ' O ' ' B' ' 51' ' ' GLU . 2.1 tmtt? -80.56 -48.34 12.87 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.239 -0.913 . . . . 0.0 109.739 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.653 HG21 ' CG1' ' B' ' 80' ' ' VAL . 21.4 m -71.42 -41.33 73.34 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 O-C-N 121.025 -1.047 . . . . 0.0 109.414 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.465 ' N ' HG23 ' B' ' 56' ' ' VAL . 60.5 tpp -69.1 -24.32 64.12 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.418 -0.801 . . . . 0.0 109.008 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 58' ' ' GLU . . . . . 0.525 ' CG ' ' O ' ' B' ' 54' ' ' ASP . 15.7 mt-10 -77.24 -53.54 7.59 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.297 -0.877 . . . . 0.0 109.597 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 59' ' ' THR . . . . . 0.485 ' HA ' ' HB2' ' B' ' 62' ' ' GLU . 49.5 m -63.11 -31.56 72.73 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 179.412 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.628 HD22 ' O ' ' B' ' 29' ' ' LYS . 9.6 mt -63.91 -53.92 42.87 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 179.545 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -80.56 -2.59 46.89 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.387 -0.821 . . . . 0.0 109.685 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.485 ' HB2' ' HA ' ' B' ' 59' ' ' THR . 3.5 tt0 -72.52 -45.55 58.83 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.202 -0.937 . . . . 0.0 109.744 -179.638 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.523 ' HB3' ' CE ' ' B' ' 29' ' ' LYS . 58.3 t0 -113.75 -56.04 2.44 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.244 -0.91 . . . . 0.0 109.65 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.86 -45.33 3.5 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -108.07 72.62 0.85 Allowed 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.202 -1.175 . . . . 0.0 109.366 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -133.95 162.81 24.52 Favored Glycine 0 N--CA 1.486 2.008 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -93.48 133.17 37.04 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.181 -1.188 . . . . 0.0 109.728 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.455 ' SG ' ' OE2' ' B' ' 72' ' ' GLU . 73.9 m -119.83 161.45 20.78 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.337 -0.852 . . . . 0.0 108.971 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -98.86 -177.55 3.68 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.207 -0.933 . . . . 0.0 109.139 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.512 ' HA ' ' CE2' ' B' ' 14' ' ' PHE . 0.9 OUTLIER -83.57 -28.59 28.44 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.405 -0.809 . . . . 0.0 109.316 179.771 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.532 ' HG3' ' N ' ' B' ' 72' ' ' GLU . 0.9 OUTLIER -81.42 -27.56 34.67 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.309 -0.87 . . . . 0.0 110.166 -179.781 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.587 ' HG3' ' N ' ' B' ' 73' ' ' PHE . 3.2 pt-20 -74.01 -46.96 40.32 Favored 'General case' 0 C--N 1.307 -1.25 0 O-C-N 120.909 -1.119 . . . . 0.0 108.727 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.734 ' O ' HG23 ' B' ' 77' ' ' VAL . 0.0 OUTLIER -65.47 -27.12 68.27 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 178.724 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.718 ' CE ' HD22 ' B' ' 10' ' ' LEU . 0.3 OUTLIER -66.53 -52.94 40.4 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.587 -0.696 . . . . 0.0 109.687 -179.749 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.472 ' O ' ' HG3' ' B' ' 79' ' ' MET . . . -71.11 -20.61 62.31 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.205 -0.934 . . . . 0.0 109.229 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.722 ' O ' HG22 ' B' ' 80' ' ' VAL . 1.5 m-85 -76.61 -30.81 57.08 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.314 -0.866 . . . . 0.0 109.259 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 1.023 HG12 ' HE2' ' A' ' 7' ' ' MET . 87.8 t -74.77 -26.82 19.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.274 -0.891 . . . . 0.0 109.484 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.96 -48.87 12.7 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.215 -0.928 . . . . 0.0 110.087 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 79' ' ' MET . . . . . 0.472 ' HG3' ' O ' ' B' ' 75' ' ' ALA . 0.4 OUTLIER -52.75 -46.05 67.31 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.211 -0.931 . . . . 0.0 110.282 -179.469 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.722 HG22 ' O ' ' B' ' 76' ' ' PHE . 7.4 m -71.11 -40.6 75.48 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 O-C-N 121.131 -0.981 . . . . 0.0 110.632 -179.137 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.415 HG22 HD11 ' A' ' 11' ' ' ILE . 4.2 m -74.29 -2.02 23.26 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.914 -1.116 . . . . 0.0 109.49 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 72.9 p -124.79 -8.68 7.29 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.247 -0.908 . . . . 0.0 109.619 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.592 ' HB2' HG11 ' B' ' 52' ' ' VAL . . . . . . . . 0 N--CA 1.49 1.572 0 O-C-N 121.154 -0.966 . . . . 0.0 109.448 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' SER . . . . . 0.448 ' CB ' ' OE1' ' B' ' 39' ' ' GLU . 33.1 p . . . . . 0 N--CA 1.49 1.532 0 CA-C-O 121.349 0.595 . . . . 0.0 109.587 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.749 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 10.4 mm-40 -73.0 -37.4 66.99 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.425 -0.797 . . . . 0.0 109.567 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.774 HD22 HD12 ' B' ' 35' ' ' LEU . 4.7 tp -68.84 -41.64 78.23 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.154 -0.966 . . . . 0.0 110.281 -179.581 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.639 ' O ' HG23 ' A' ' 8' ' ' VAL . 1.6 tm-20 -71.99 -62.67 1.34 Allowed 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.081 -1.012 . . . . 0.0 110.601 -178.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.798 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 10.9 ptmt -60.67 -37.13 80.55 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.033 -1.042 . . . . 0.0 110.698 -178.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.749 ' HB3' ' O ' ' A' ' 2' ' ' GLU . . . -80.05 -60.4 2.35 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.904 -1.123 . . . . 0.0 110.275 -179.186 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.689 ' HG3' HG21 ' B' ' 81' ' ' THR . 10.6 tpt -51.74 -56.36 14.26 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.07 -1.019 . . . . 0.0 109.188 -179.704 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 4' ' ' GLU . 8.3 t -60.02 -27.1 37.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.371 -0.831 . . . . 0.0 109.029 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.798 ' HB2' ' O ' ' A' ' 5' ' ' LYS . . . -64.01 -43.94 94.12 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.456 -0.777 . . . . 0.0 109.346 179.61 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.8 HD22 ' HE2' ' A' ' 74' ' ' MET . 0.1 OUTLIER -56.69 -35.13 68.12 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.331 -0.856 . . . . 0.0 108.953 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.642 ' N ' HD12 ' A' ' 11' ' ' ILE . 1.5 mp -65.1 -33.22 62.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.315 -0.866 . . . . 0.0 108.957 179.493 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -67.73 -54.78 16.62 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.361 -0.837 . . . . 0.0 109.428 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.615 HG12 ' N ' ' A' ' 14' ' ' PHE . 0.6 OUTLIER -53.36 -55.08 14.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.282 -0.886 . . . . 0.0 109.06 179.837 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.687 ' CE1' HD12 ' A' ' 27' ' ' LEU . 93.9 t80 -43.73 -34.06 1.42 Allowed 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.62 -0.675 . . . . 0.0 110.094 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -81.15 -36.4 30.27 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.052 -1.03 . . . . 0.0 109.89 -179.47 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.87 -49.87 75.74 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.102 -0.999 . . . . 0.0 109.854 -179.721 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.623 ' CG ' HD21 ' A' ' 35' ' ' LEU . 57.6 m-85 -63.35 -40.58 97.66 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.176 -0.952 . . . . 0.0 109.726 -179.627 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.8 t . . . . . 0 N--CA 1.489 1.493 0 O-C-N 121.128 -0.983 . . . . 0.0 109.456 179.892 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.5 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 51.8 t-80 . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 121.214 0.53 . . . . 0.0 109.635 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.2 pttp -149.04 146.19 27.63 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.036 -1.04 . . . . 0.0 109.741 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.687 HD12 ' CE1' ' A' ' 14' ' ' PHE . 4.0 mt -117.72 -162.4 0.87 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.342 -0.849 . . . . 0.0 109.128 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -137.33 139.95 41.18 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.2 -0.938 . . . . 0.0 109.354 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.531 ' O ' ' CD2' ' A' ' 60' ' ' LEU . 0.8 OUTLIER -57.44 -23.14 47.86 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.159 -0.963 . . . . 0.0 109.757 -179.709 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.87 -38.04 33.58 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.984 -1.073 . . . . 0.0 109.52 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.472 ' O ' ' HB2' ' A' ' 35' ' ' LEU . 2.6 tt0 -75.89 -20.35 58.12 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.126 -0.984 . . . . 0.0 108.783 179.638 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.498 ' O ' HG13 ' A' ' 36' ' ' ILE . 29.0 tp -80.26 -41.83 24.3 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 178.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.819 ' HG3' HD13 ' A' ' 60' ' ' LEU . 15.2 tttt -57.69 -38.3 74.93 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 178.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.565 ' HG3' ' N ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -80.46 -31.82 37.33 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 179.648 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.774 HD12 HD22 ' B' ' 3' ' ' LEU . 0.0 OUTLIER -56.78 -43.18 80.62 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.771 -0.581 . . . . 0.0 109.877 -179.921 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.863 HG21 HG21 ' A' ' 80' ' ' VAL . 0.4 OUTLIER -80.14 -50.64 17.28 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.122 -0.986 . . . . 0.0 110.012 -179.271 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.484 ' O ' ' HB2' ' A' ' 41' ' ' SER . 18.0 t30 -69.49 -3.38 14.36 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.259 -0.901 . . . . 0.0 110.465 -179.123 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.5 ' HB2' ' O ' ' A' ' 34' ' ' GLU . 66.3 t30 -106.61 -67.3 0.95 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.957 -1.09 . . . . 0.0 109.743 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.503 ' HB3' ' HB3' ' B' ' 3' ' ' LEU . 5.7 mm-40 -58.62 -65.6 0.63 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.18 -0.95 . . . . 0.0 109.679 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 40' ' ' LEU . 28.8 mt -66.92 -93.39 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.187 -0.945 . . . . 0.0 109.622 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.484 ' HB2' ' O ' ' A' ' 37' ' ' ASN . 36.7 t 44.44 39.74 3.37 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.957 -1.089 . . . . 0.0 109.874 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -136.48 16.17 3.16 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.19 -0.944 . . . . 0.0 109.419 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -138.48 39.43 2.24 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.341 -0.849 . . . . 0.0 109.358 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.13 60.28 0.77 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.207 -0.933 . . . . 0.0 109.707 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -87.25 -72.66 0.5 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.227 -0.921 . . . . 0.0 109.45 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.475 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 0.2 OUTLIER -126.58 -33.0 2.58 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.257 -0.902 . . . . 0.0 108.974 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.475 ' HB ' ' O ' ' A' ' 46' ' ' GLU . 14.4 mt 64.99 125.07 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.313 -0.867 . . . . 0.0 109.544 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.35 -28.06 13.47 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.258 -0.901 . . . . 0.0 109.245 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.724 ' OE1' HG23 ' A' ' 52' ' ' VAL . 5.7 mm-40 -99.06 68.65 1.7 Allowed 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.31 -0.869 . . . . 0.0 109.362 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.543 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 10.8 tt0 -56.84 -23.63 45.39 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.255 -0.903 . . . . 0.0 109.331 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.453 ' O ' ' CB ' ' A' ' 55' ' ' LYS . 2.5 tt0 -80.11 -32.28 39.1 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.22 -0.925 . . . . 0.0 109.947 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.732 ' O ' HG22 ' A' ' 56' ' ' VAL . 61.4 t -70.87 -47.79 60.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.067 -1.021 . . . . 0.0 109.617 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.53 HG22 HG12 ' A' ' 80' ' ' VAL . 63.4 t -76.52 -31.3 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.209 -0.932 . . . . 0.0 109.16 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.543 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 27.6 t70 -79.5 -17.69 53.58 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 179.185 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.453 ' CB ' ' O ' ' A' ' 51' ' ' GLU . 0.9 OUTLIER -80.2 -49.25 11.91 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.372 -0.83 . . . . 0.0 109.073 179.637 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.732 HG22 ' O ' ' A' ' 52' ' ' VAL . 2.4 m -74.58 -35.07 36.97 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 O-C-N 121.084 -1.01 . . . . 0.0 108.592 179.43 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.422 ' HB2' ' O ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -72.12 -22.52 61.32 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 179.244 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.457 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 10.2 mt-10 -75.31 -55.12 6.02 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.451 -0.781 . . . . 0.0 109.165 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.1 m -60.75 -37.33 81.45 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 107.729 -1.212 . . . . 0.0 107.729 179.105 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.819 HD13 ' HG3' ' A' ' 33' ' ' LYS . 14.3 mt -55.69 -57.0 13.8 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -80.4 -1.21 40.39 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.571 -0.706 . . . . 0.0 109.677 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.9 -31.85 68.62 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.105 -0.997 . . . . 0.0 109.585 -179.694 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -132.55 -59.87 0.9 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.226 -0.921 . . . . 0.0 109.686 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 77.9 -5.46 53.27 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.866 -1.294 . . . . 0.0 109.866 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -132.5 37.98 3.47 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.044 -1.268 . . . . 0.0 109.548 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -120.78 -173.31 14.79 Favored Glycine 0 N--CA 1.486 2.024 0 N-CA-C 109.612 -1.395 . . . . 0.0 109.612 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -116.58 158.49 23.6 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.25 -1.147 . . . . 0.0 109.487 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 56.6 m -127.97 179.61 5.48 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.339 -0.851 . . . . 0.0 109.108 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -117.9 174.43 6.2 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.136 -0.978 . . . . 0.0 109.344 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.599 ' CE2' ' HG2' ' A' ' 71' ' ' GLN . 44.8 p90 -74.11 -30.62 62.42 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.326 -0.859 . . . . 0.0 109.14 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.599 ' HG2' ' CE2' ' A' ' 70' ' ' PHE . 3.1 mm-40 -79.28 -22.97 43.92 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.387 -0.821 . . . . 0.0 108.901 179.341 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.423 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -78.54 -50.34 11.74 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.396 -0.815 . . . . 0.0 109.206 179.85 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.623 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -66.05 -24.21 66.69 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.387 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.8 ' HE2' HD22 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -75.32 -52.22 11.34 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.536 -0.727 . . . . 0.0 109.365 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.489 ' O ' ' HG3' ' A' ' 79' ' ' MET . . . -70.8 -16.21 62.72 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.177 -0.952 . . . . 0.0 108.731 179.631 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.706 ' O ' HG22 ' A' ' 80' ' ' VAL . 1.2 m-85 -80.59 -42.85 21.56 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.45 -0.781 . . . . 0.0 109.543 179.674 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 73' ' ' PHE . 97.1 t -67.49 -29.14 44.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.271 -0.893 . . . . 0.0 109.741 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.442 ' O ' ' OG1' ' A' ' 82' ' ' THR . 5.9 m -76.19 -39.09 55.6 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.119 -0.988 . . . . 0.0 109.783 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.535 ' HB3' ' CG1' ' A' ' 52' ' ' VAL . 0.1 OUTLIER -60.98 -50.73 72.2 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.277 -0.889 . . . . 0.0 110.036 -179.708 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.863 HG21 HG21 ' A' ' 36' ' ' ILE . 2.5 m -69.36 -39.32 78.73 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.394 0 O-C-N 121.149 -0.969 . . . . 0.0 110.11 -179.276 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.677 HG21 ' HG3' ' B' ' 7' ' ' MET . 25.5 m -67.2 -14.08 62.57 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.073 -1.017 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.486 ' HB ' ' HG2' ' B' ' 71' ' ' GLN . 2.2 p -103.94 -13.21 16.43 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.287 -0.883 . . . . 0.0 109.329 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.485 ' CB ' HG23 ' A' ' 53' ' ' VAL . . . . . . . . 0 N--CA 1.491 1.577 0 O-C-N 121.249 -0.907 . . . . 0.0 109.636 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 1' ' ' SER . . . . . 0.435 ' CB ' ' OE1' ' A' ' 39' ' ' GLU . 33.4 p . . . . . 0 N--CA 1.489 1.522 0 CA-C-O 121.34 0.59 . . . . 0.0 109.634 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.755 ' O ' ' HB3' ' B' ' 6' ' ' ALA . 10.4 mm-40 -73.0 -37.35 67.0 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.407 -0.808 . . . . 0.0 109.53 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.774 HD22 HD12 ' A' ' 35' ' ' LEU . 4.7 tp -68.89 -41.71 77.93 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.089 -1.007 . . . . 0.0 110.258 -179.578 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 4' ' ' GLU . . . . . 0.638 ' O ' HG23 ' B' ' 8' ' ' VAL . 1.6 tm-20 -71.94 -62.58 1.37 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.226 -0.921 . . . . 0.0 110.62 -178.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.798 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 11.0 ptmt -60.7 -37.2 80.86 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.024 -1.048 . . . . 0.0 110.753 -178.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.755 ' HB3' ' O ' ' B' ' 2' ' ' GLU . . . -79.89 -60.43 2.34 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.927 -1.108 . . . . 0.0 110.365 -179.294 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 7' ' ' MET . . . . . 0.677 ' HG3' HG21 ' A' ' 81' ' ' THR . 10.6 tpt -51.64 -56.41 13.79 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.028 -1.045 . . . . 0.0 109.19 -179.728 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.638 HG23 ' O ' ' B' ' 4' ' ' GLU . 8.5 t -60.12 -27.07 38.2 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.552 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.798 ' HB2' ' O ' ' B' ' 5' ' ' LYS . . . -63.96 -43.96 94.22 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.417 -0.802 . . . . 0.0 109.293 179.635 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.798 HD22 ' HE2' ' B' ' 74' ' ' MET . 0.1 OUTLIER -56.68 -35.04 67.99 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.33 -0.856 . . . . 0.0 109.124 179.915 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.637 ' N ' HD12 ' B' ' 11' ' ' ILE . 1.5 mp -65.16 -33.05 61.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.197 -0.939 . . . . 0.0 109.001 179.425 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -67.8 -54.79 16.33 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.355 -0.841 . . . . 0.0 109.466 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' VAL . . . . . 0.611 HG12 ' N ' ' B' ' 14' ' ' PHE . 0.6 OUTLIER -53.47 -54.95 15.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.351 -0.843 . . . . 0.0 109.091 179.855 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.69 ' CE1' HD12 ' B' ' 27' ' ' LEU . 93.7 t80 -43.62 -34.24 1.39 Allowed 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.589 -0.694 . . . . 0.0 110.15 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -81.11 -36.35 30.45 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.075 -1.015 . . . . 0.0 109.848 -179.397 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.79 -49.97 75.35 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.157 -0.965 . . . . 0.0 109.846 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.627 ' CG ' HD21 ' B' ' 35' ' ' LEU . 57.9 m-85 -63.23 -40.64 98.01 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.142 -0.974 . . . . 0.0 109.8 -179.661 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 9.7 t . . . . . 0 N--CA 1.49 1.575 0 O-C-N 121.022 -1.048 . . . . 0.0 109.342 179.972 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 25' ' ' HIS . . . . . 0.501 ' CG ' ' O ' ' B' ' 25' ' ' HIS . 51.8 t-80 . . . . . 0 N--CA 1.489 1.491 0 CA-C-O 121.141 0.496 . . . . 0.0 109.677 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 3.2 pttp -149.03 146.25 27.67 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.136 -0.977 . . . . 0.0 109.645 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.69 HD12 ' CE1' ' B' ' 14' ' ' PHE . 3.9 mt -117.79 -162.44 0.88 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.231 -0.918 . . . . 0.0 109.084 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -137.36 140.0 41.15 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.151 -0.968 . . . . 0.0 109.269 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.536 ' O ' ' CD2' ' B' ' 60' ' ' LEU . 0.8 OUTLIER -57.44 -23.19 48.2 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.124 -0.985 . . . . 0.0 109.728 -179.725 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.84 -38.09 33.57 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.03 -1.044 . . . . 0.0 109.479 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.463 ' O ' ' HB2' ' B' ' 35' ' ' LEU . 2.6 tt0 -75.85 -20.24 58.27 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.199 -0.938 . . . . 0.0 108.853 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.484 ' O ' HG13 ' B' ' 36' ' ' ILE . 29.1 tp -80.29 -41.72 24.42 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 178.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.816 ' HG3' HD13 ' B' ' 60' ' ' LEU . 15.3 tttt -57.93 -38.14 75.39 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 178.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.559 ' HG3' ' N ' ' B' ' 35' ' ' LEU . 0.0 OUTLIER -80.41 -31.88 37.56 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.534 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.774 HD12 HD22 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -56.83 -43.15 80.78 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.793 -0.567 . . . . 0.0 109.858 -179.866 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.879 HG21 HG21 ' B' ' 80' ' ' VAL . 0.4 OUTLIER -80.1 -50.52 17.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.128 -0.982 . . . . 0.0 110.098 -179.309 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.488 ' O ' ' HB2' ' B' ' 41' ' ' SER . 18.1 t30 -69.57 -3.27 14.12 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.241 -0.912 . . . . 0.0 110.507 -179.158 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' B' ' 34' ' ' GLU . 66.3 t30 -106.72 -67.32 0.95 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.974 -1.079 . . . . 0.0 109.631 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.5 ' HB3' ' HB3' ' A' ' 3' ' ' LEU . 5.7 mm-40 -58.58 -65.62 0.63 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.206 -0.934 . . . . 0.0 109.662 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.408 ' HA ' HD23 ' B' ' 40' ' ' LEU . 28.6 mt -66.82 -93.37 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.212 -0.93 . . . . 0.0 109.662 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.488 ' HB2' ' O ' ' B' ' 37' ' ' ASN . 36.6 t 44.45 39.71 3.37 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.047 -1.033 . . . . 0.0 109.829 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -136.54 16.19 3.15 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.128 -0.983 . . . . 0.0 109.322 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -138.41 39.4 2.26 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.366 -0.834 . . . . 0.0 109.439 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.11 60.22 0.77 Allowed 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.207 -0.933 . . . . 0.0 109.65 -179.721 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -87.24 -72.67 0.5 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.161 -0.962 . . . . 0.0 109.402 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' GLU . . . . . 0.473 ' O ' ' HB ' ' B' ' 47' ' ' ILE . 0.2 OUTLIER -126.57 -33.03 2.58 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.333 -0.855 . . . . 0.0 108.945 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.473 ' HB ' ' O ' ' B' ' 46' ' ' GLU . 14.4 mt 65.07 125.09 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.301 -0.874 . . . . 0.0 109.473 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.37 -28.04 13.47 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.283 -0.885 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.73 ' OE1' HG23 ' B' ' 52' ' ' VAL . 5.8 mm-40 -99.05 68.7 1.71 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.295 -0.878 . . . . 0.0 109.387 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 50' ' ' GLN . . . . . 0.537 ' O ' ' CB ' ' B' ' 54' ' ' ASP . 10.8 tt0 -56.8 -23.65 45.04 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.265 -0.897 . . . . 0.0 109.38 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.45 ' O ' ' CB ' ' B' ' 55' ' ' LYS . 2.5 tt0 -80.15 -32.19 38.92 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.199 -0.938 . . . . 0.0 109.877 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.737 ' O ' HG22 ' B' ' 56' ' ' VAL . 63.3 t -71.05 -47.79 59.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.138 -0.976 . . . . 0.0 109.468 -179.707 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.519 HG22 HG12 ' B' ' 80' ' ' VAL . 63.6 t -76.37 -31.39 20.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.258 -0.901 . . . . 0.0 109.186 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 54' ' ' ASP . . . . . 0.537 ' CB ' ' O ' ' B' ' 50' ' ' GLN . 27.5 t70 -79.55 -17.61 53.61 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 179.262 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 55' ' ' LYS . . . . . 0.45 ' CB ' ' O ' ' B' ' 51' ' ' GLU . 0.9 OUTLIER -80.2 -49.3 11.83 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.354 -0.841 . . . . 0.0 109.094 179.626 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.737 HG22 ' O ' ' B' ' 52' ' ' VAL . 2.5 m -74.48 -35.11 37.72 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 O-C-N 121.238 -0.914 . . . . 0.0 108.618 179.384 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.412 ' HB2' ' O ' ' B' ' 53' ' ' VAL . 0.0 OUTLIER -72.07 -22.51 61.36 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 179.268 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 58' ' ' GLU . . . . . 0.449 ' HB2' ' O ' ' B' ' 54' ' ' ASP . 10.1 mt-10 -75.37 -55.07 6.06 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.444 -0.785 . . . . 0.0 109.171 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 3.1 m -60.73 -37.37 81.54 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 179.164 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.816 HD13 ' HG3' ' B' ' 33' ' ' LYS . 14.3 mt -55.72 -57.01 13.78 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 178.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -80.37 -1.25 40.45 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.629 -0.669 . . . . 0.0 109.612 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.92 -31.75 68.46 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.154 -0.966 . . . . 0.0 109.556 -179.601 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -132.62 -59.92 0.89 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.231 -0.918 . . . . 0.0 109.56 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 77.89 -5.5 52.98 Favored Glycine 0 N--CA 1.489 2.206 0 N-CA-C 109.889 -1.285 . . . . 0.0 109.889 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -132.39 37.88 3.49 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.094 -1.239 . . . . 0.0 109.569 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -120.81 -173.33 14.78 Favored Glycine 0 N--CA 1.488 2.12 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -116.53 158.43 23.64 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.21 -1.17 . . . . 0.0 109.508 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 56.7 m -127.95 179.58 5.49 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.328 -0.858 . . . . 0.0 109.122 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -117.89 174.46 6.18 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.136 -0.977 . . . . 0.0 109.3 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.603 ' CE2' ' HG2' ' B' ' 71' ' ' GLN . 44.8 p90 -74.16 -30.55 62.32 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.35 -0.844 . . . . 0.0 109.14 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.603 ' HG2' ' CE2' ' B' ' 70' ' ' PHE . 3.1 mm-40 -79.42 -22.92 43.61 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.36 -0.838 . . . . 0.0 108.774 179.487 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.425 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 0.1 OUTLIER -78.54 -50.46 11.53 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.428 -0.795 . . . . 0.0 109.169 179.902 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.624 ' O ' HG23 ' B' ' 77' ' ' VAL . 0.0 OUTLIER -66.01 -24.12 66.7 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 179.35 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.798 ' HE2' HD22 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -75.31 -52.24 11.31 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.53 -0.731 . . . . 0.0 109.407 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.487 ' O ' ' HG3' ' B' ' 79' ' ' MET . . . -70.65 -16.37 62.81 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.216 -0.927 . . . . 0.0 108.751 179.582 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.707 ' O ' HG22 ' B' ' 80' ' ' VAL . 1.2 m-85 -80.5 -42.85 21.77 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.384 -0.823 . . . . 0.0 109.591 179.704 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.624 HG23 ' O ' ' B' ' 73' ' ' PHE . 98.2 t -67.51 -29.13 44.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.299 -0.875 . . . . 0.0 109.689 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 78' ' ' SER . . . . . 0.406 ' HA ' ' CE ' ' A' ' 7' ' ' MET . 5.9 m -76.2 -39.08 55.56 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.261 -0.899 . . . . 0.0 109.786 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 79' ' ' MET . . . . . 0.535 ' HB3' ' CG1' ' B' ' 52' ' ' VAL . 0.1 OUTLIER -60.86 -50.86 71.73 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.302 -0.874 . . . . 0.0 110.006 -179.74 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.879 HG21 HG21 ' B' ' 36' ' ' ILE . 2.6 m -69.23 -39.36 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.178 -0.951 . . . . 0.0 110.188 -179.297 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.689 HG21 ' HG3' ' A' ' 7' ' ' MET . 25.5 m -67.19 -14.11 62.59 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.992 -1.067 . . . . 0.0 109.335 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.493 ' HB ' ' HG2' ' A' ' 71' ' ' GLN . 2.2 p -103.85 -13.28 16.46 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.285 -0.884 . . . . 0.0 109.286 179.66 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.498 ' CB ' HG23 ' B' ' 53' ' ' VAL . . . . . . . . 0 N--CA 1.49 1.547 0 O-C-N 121.217 -0.927 . . . . 0.0 109.702 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.955 ' HB2' HG22 ' B' ' 13' ' ' VAL . 55.4 mm-40 -73.99 -43.07 59.32 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.275 -0.89 . . . . 0.0 109.435 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.806 HD22 ' CD1' ' B' ' 35' ' ' LEU . 3.3 tp -65.56 -38.98 91.11 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.347 -0.845 . . . . 0.0 110.053 -179.548 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.486 ' HA ' ' CD ' ' B' ' 39' ' ' GLU . 1.1 tm-20 -66.33 -56.28 11.89 Favored 'General case' 0 C--N 1.295 -1.766 0 O-C-N 120.939 -1.101 . . . . 0.0 110.32 -178.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.812 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 8.6 ptmt -62.06 -28.82 69.87 Favored 'General case' 0 C--N 1.297 -1.688 0 O-C-N 120.643 -1.286 . . . . 0.0 109.673 -179.484 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.825 ' CB ' ' HB3' ' B' ' 9' ' ' ALA . . . -81.33 -73.58 0.37 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.106 -0.996 . . . . 0.0 110.361 -179.731 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.668 ' SD ' HG21 ' B' ' 81' ' ' THR . 9.6 tpp -49.5 -54.47 17.72 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.599 -0.688 . . . . 0.0 109.776 -179.519 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.797 HG23 ' OE2' ' B' ' 39' ' ' GLU . 6.6 t -62.34 -29.8 47.54 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.576 0 O-C-N 121.405 -0.809 . . . . 0.0 110.231 -179.072 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.816 ' HB3' ' CB ' ' B' ' 6' ' ' ALA . . . -64.86 -37.47 87.73 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.656 -1.278 . . . . 0.0 108.935 179.668 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.799 HD22 ' CE ' ' A' ' 74' ' ' MET . 0.2 OUTLIER -55.64 -50.51 70.02 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.301 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 28.0 mm -49.2 -34.34 7.01 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 178.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.459 ' HB3' ' O ' ' A' ' 9' ' ' ALA . 36.5 t0 -57.71 -53.63 56.0 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 179.294 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.957 HG22 ' HB2' ' B' ' 2' ' ' GLU . 67.4 t -48.25 -30.96 2.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.328 -0.857 . . . . 0.0 109.032 179.548 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.802 ' CE1' HD12 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -61.31 -47.62 85.1 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.272 -0.893 . . . . 0.0 109.529 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -64.9 -10.75 31.1 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.248 -0.907 . . . . 0.0 109.545 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -93.93 -71.26 0.67 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.241 -0.912 . . . . 0.0 109.697 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -67.75 -51.93 43.32 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.327 -0.858 . . . . 0.0 109.729 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.501 ' HB2' ' HG ' ' A' ' 27' ' ' LEU . 8.3 t . . . . . 0 N--CA 1.49 1.55 0 O-C-N 121.146 -0.971 . . . . 0.0 109.817 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 30.4 m80 . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 121.327 0.584 . . . . 0.0 109.538 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -150.04 129.61 13.1 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.249 -0.907 . . . . 0.0 109.258 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.802 HD12 ' CE1' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -105.12 -157.1 0.6 Allowed 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.364 -0.835 . . . . 0.0 109.412 -179.781 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.521 ' O ' ' CB ' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -145.53 170.51 16.26 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.305 -0.872 . . . . 0.0 108.939 179.838 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.487 ' HD2' ' HA3' ' A' ' 66' ' ' GLY . 4.1 mtpm? -79.01 -28.35 43.34 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.169 -0.957 . . . . 0.0 109.097 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.5 t -79.41 -35.45 40.57 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.459 -0.775 . . . . 0.0 109.422 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.555 ' HB3' ' CD2' ' A' ' 27' ' ' LEU . 0.4 OUTLIER -86.85 -21.1 26.6 Favored 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 179.197 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.53 HD21 ' CD2' ' A' ' 76' ' ' PHE . 23.3 tp -78.77 -35.19 44.87 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 107.427 -1.324 . . . . 0.0 107.427 178.307 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.673 ' HG3' HD13 ' A' ' 60' ' ' LEU . 7.3 ttpp -62.37 -44.28 96.83 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 178.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.539 ' HG3' ' N ' ' A' ' 35' ' ' LEU . 5.9 pt-20 -68.42 -40.28 81.28 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 179.159 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.773 ' CD1' HD22 ' B' ' 3' ' ' LEU . 0.1 OUTLIER -49.89 -50.91 44.25 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 179.154 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.863 HG23 HD22 ' A' ' 40' ' ' LEU . 0.7 OUTLIER -64.51 -56.92 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 CA-C-O 121.813 0.816 . . . . 0.0 109.196 179.66 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.51 ' O ' ' HB3' ' A' ' 41' ' ' SER . 23.6 t-20 -63.87 1.94 0.57 Allowed 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.441 -0.787 . . . . 0.0 110.615 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -87.01 -52.05 5.67 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.697 -1.252 . . . . 0.0 108.713 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.879 ' HG2' HD12 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -106.14 -49.68 3.32 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 179.352 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.879 HD12 ' HG2' ' A' ' 39' ' ' GLU . 9.2 mp -58.29 -44.61 88.59 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.596 -0.69 . . . . 0.0 109.945 -178.786 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.51 ' HB3' ' O ' ' A' ' 37' ' ' ASN . 2.1 t -41.63 -28.18 0.13 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.531 -0.731 . . . . 0.0 109.562 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.442 ' N ' ' O ' ' A' ' 40' ' ' LEU . 1.5 t-80 -58.41 -54.34 48.09 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.203 -0.936 . . . . 0.0 109.47 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.521 ' CD1' ' N ' ' A' ' 43' ' ' PHE . 0.8 OUTLIER -75.44 0.69 16.21 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.134 -0.979 . . . . 0.0 109.732 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.44 ' HB2' ' HA ' ' A' ' 41' ' ' SER . 2.6 tt -75.06 106.02 6.37 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.19 -0.944 . . . . 0.0 109.632 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.49 -45.1 0.11 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.403 -0.811 . . . . 0.0 109.245 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -123.41 -40.97 2.32 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.324 -0.86 . . . . 0.0 109.04 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.421 HG23 ' O ' ' A' ' 83' ' ' ALA . 70.0 mt 60.16 85.77 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.479 -0.763 . . . . 0.0 109.811 179.604 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.7 tttm -61.57 -41.9 98.07 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.2 -0.938 . . . . 0.0 108.98 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.872 ' OE1' HG23 ' A' ' 52' ' ' VAL . 8.3 mm-40 -89.89 77.23 7.0 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.456 -0.778 . . . . 0.0 109.083 179.616 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.452 ' O ' ' HB2' ' A' ' 54' ' ' ASP . 4.9 tt0 -62.92 -26.72 68.94 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.266 -0.896 . . . . 0.0 109.694 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -76.41 -28.94 56.87 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.088 -1.008 . . . . 0.0 109.661 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.872 HG23 ' OE1' ' A' ' 49' ' ' GLU . 81.8 t -72.89 -51.29 27.68 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.126 -0.984 . . . . 0.0 109.609 -179.768 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.456 HG22 HG12 ' A' ' 80' ' ' VAL . 77.4 t -72.55 -28.0 27.09 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.176 -0.953 . . . . 0.0 109.309 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.476 ' O ' ' HG3' ' A' ' 58' ' ' GLU . 1.2 m-20 -77.29 -20.15 55.46 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.146 -0.971 . . . . 0.0 108.734 179.375 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.06 -53.72 6.72 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.328 -0.858 . . . . 0.0 109.023 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.715 HG21 HG13 ' A' ' 80' ' ' VAL . 11.4 m -67.4 -41.0 85.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.098 -1.001 . . . . 0.0 108.84 179.483 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.41 ' N ' HG23 ' A' ' 56' ' ' VAL . 0.8 OUTLIER -66.86 -24.77 66.17 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.587 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.476 ' HG3' ' O ' ' A' ' 54' ' ' ASP . 0.3 OUTLIER -72.41 -55.18 7.46 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.415 -0.803 . . . . 0.0 109.214 179.623 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.63 -27.33 68.59 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.075 -1.016 . . . . 0.0 108.362 179.356 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.673 HD13 ' HG3' ' A' ' 33' ' ' LYS . 9.7 mt -65.77 -52.81 47.8 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.684 -0.635 . . . . 0.0 109.456 179.587 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.74 -14.87 61.2 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.538 -0.726 . . . . 0.0 110.001 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -66.1 -63.4 1.09 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.153 -0.967 . . . . 0.0 109.642 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.468 ' HB2' ' HE3' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -82.38 -68.91 0.66 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.348 -0.845 . . . . 0.0 109.623 -179.875 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 90.74 -39.88 3.05 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.531 -1.427 . . . . 0.0 109.531 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -124.36 49.45 1.8 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.232 -1.158 . . . . 0.0 109.335 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.487 ' HA3' ' HD2' ' A' ' 29' ' ' LYS . . . -108.94 -171.13 20.9 Favored Glycine 0 N--CA 1.486 1.991 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -124.78 142.18 51.59 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.252 -1.146 . . . . 0.0 109.586 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 56.1 m -113.42 162.68 15.82 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.257 -0.902 . . . . 0.0 109.372 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -92.68 172.29 8.45 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.218 -0.926 . . . . 0.0 109.455 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.615 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 24.8 p90 -70.13 -39.12 75.61 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.222 -0.924 . . . . 0.0 109.319 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.932 ' HA ' HG21 ' B' ' 82' ' ' THR . 0.0 OUTLIER -78.49 -29.31 46.63 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.274 -0.891 . . . . 0.0 109.381 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.87 -59.0 3.63 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.135 -0.978 . . . . 0.0 109.0 179.588 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.682 ' CD2' ' CE1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -51.23 -22.08 2.47 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.223 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.799 ' CE ' HD22 ' A' ' 10' ' ' LEU . 0.6 OUTLIER -74.56 -64.45 1.03 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.373 -0.829 . . . . 0.0 109.794 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.493 ' O ' ' HG2' ' A' ' 79' ' ' MET . . . -58.99 -15.28 12.29 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.426 -0.796 . . . . 0.0 109.571 -179.365 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.662 ' O ' HG22 ' A' ' 80' ' ' VAL . 0.1 OUTLIER -79.64 -46.85 16.42 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.496 -0.753 . . . . 0.0 109.345 179.673 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.593 HG11 HD21 ' A' ' 10' ' ' LEU . 76.6 t -63.97 -27.93 43.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.368 -0.832 . . . . 0.0 110.225 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.52 ' HA ' ' HE3' ' B' ' 7' ' ' MET . 16.4 m -80.2 -45.76 17.49 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.115 -0.991 . . . . 0.0 111.341 -178.745 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.518 ' SD ' ' CG1' ' A' ' 56' ' ' VAL . 5.3 ptm -56.77 -38.23 72.2 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.91 -1.119 . . . . 0.0 111.15 -178.373 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.825 ' HB ' HD23 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -77.73 -33.36 18.82 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.026 -1.046 . . . . 0.0 110.823 -179.12 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.673 HG21 ' SD ' ' B' ' 7' ' ' MET . 1.7 m -65.31 -13.87 59.47 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 120.726 -1.234 . . . . 0.0 109.628 -179.547 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.951 HG21 ' HA ' ' B' ' 71' ' ' GLN . 1.5 p -105.1 -14.68 15.31 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.221 -0.924 . . . . 0.0 109.426 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.579 ' HB2' HG11 ' A' ' 52' ' ' VAL . . . . . . . . 0 N--CA 1.492 1.625 0 O-C-N 121.329 -0.857 . . . . 0.0 109.453 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.488 1.45 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.957 ' HB2' HG22 ' A' ' 13' ' ' VAL . 55.6 mm-40 -73.88 -42.93 59.99 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.233 -0.917 . . . . 0.0 109.532 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.773 HD22 ' CD1' ' A' ' 35' ' ' LEU . 3.3 tp -65.61 -38.99 91.02 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.346 -0.847 . . . . 0.0 110.108 -179.608 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 4' ' ' GLU . . . . . 0.479 ' HA ' ' OE2' ' A' ' 39' ' ' GLU . 1.1 tm-20 -66.34 -56.25 12.01 Favored 'General case' 0 C--N 1.294 -1.826 0 O-C-N 120.973 -1.079 . . . . 0.0 110.31 -178.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.794 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 8.6 ptmt -62.09 -28.77 69.85 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 120.704 -1.248 . . . . 0.0 109.694 -179.498 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.816 ' CB ' ' HB3' ' A' ' 9' ' ' ALA . . . -81.3 -73.54 0.37 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.119 -0.988 . . . . 0.0 110.33 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 7' ' ' MET . . . . . 0.673 ' SD ' HG21 ' A' ' 81' ' ' THR . 9.5 tpp -49.62 -54.36 18.86 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.537 -0.727 . . . . 0.0 109.757 -179.417 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.773 HG23 ' OE2' ' A' ' 39' ' ' GLU . 6.7 t -62.52 -29.75 47.56 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.593 0 O-C-N 121.305 -0.872 . . . . 0.0 110.197 -179.028 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.825 ' HB3' ' CB ' ' A' ' 6' ' ' ALA . . . -64.85 -37.37 87.41 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.729 -1.232 . . . . 0.0 108.903 179.671 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.787 HD22 ' CE ' ' B' ' 74' ' ' MET . 0.2 OUTLIER -55.76 -50.58 70.01 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 179.263 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 28.1 mm -49.07 -34.38 6.52 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.456 ' HB3' ' O ' ' B' ' 9' ' ' ALA . 36.5 t0 -57.66 -53.62 56.1 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 179.262 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 13' ' ' VAL . . . . . 0.955 HG22 ' HB2' ' A' ' 2' ' ' GLU . 67.4 t -48.34 -30.93 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.375 -0.828 . . . . 0.0 108.954 179.63 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.793 ' CE1' HD12 ' B' ' 27' ' ' LEU . 0.3 OUTLIER -61.25 -47.73 84.69 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.215 -0.928 . . . . 0.0 109.39 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -64.85 -10.77 30.84 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.198 -0.939 . . . . 0.0 109.557 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -93.9 -71.26 0.67 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.314 -0.866 . . . . 0.0 109.661 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -67.81 -51.88 43.46 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.306 -0.871 . . . . 0.0 109.858 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' SER . . . . . 0.511 ' HB2' ' HG ' ' B' ' 27' ' ' LEU . 8.4 t . . . . . 0 N--CA 1.493 1.697 0 O-C-N 121.225 -0.922 . . . . 0.0 109.83 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 30.4 m80 . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.3 0.571 . . . . 0.0 109.62 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -150.03 129.56 13.06 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.305 -0.872 . . . . 0.0 109.192 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.793 HD12 ' CE1' ' B' ' 14' ' ' PHE . 0.2 OUTLIER -105.05 -157.13 0.6 Allowed 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.272 -0.893 . . . . 0.0 109.352 -179.77 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.521 ' O ' ' CB ' ' B' ' 32' ' ' LEU . 0.1 OUTLIER -145.51 170.54 16.2 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.815 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.496 ' HD2' ' HA3' ' B' ' 66' ' ' GLY . 4.1 mtpm? -79.03 -28.38 43.29 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.179 -0.95 . . . . 0.0 109.1 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 5.5 t -79.36 -35.32 41.06 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.333 -0.855 . . . . 0.0 109.504 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.546 ' HB3' ' CD2' ' B' ' 27' ' ' LEU . 0.4 OUTLIER -86.95 -21.05 26.46 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 179.179 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.525 ' O ' HG13 ' B' ' 36' ' ' ILE . 23.2 tp -78.81 -35.13 44.69 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 178.365 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.659 ' HG3' HD13 ' B' ' 60' ' ' LEU . 7.4 ttpp -62.42 -44.25 96.87 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 178.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.536 ' HG3' ' N ' ' B' ' 35' ' ' LEU . 5.9 pt-20 -68.41 -40.23 81.33 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 179.197 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.806 ' CD1' HD22 ' A' ' 3' ' ' LEU . 0.1 OUTLIER -49.91 -51.1 43.37 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 179.145 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.848 HG23 HD22 ' B' ' 40' ' ' LEU . 0.7 OUTLIER -64.31 -56.89 13.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.413 -0.804 . . . . 0.0 109.252 179.654 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.507 ' O ' ' HB3' ' B' ' 41' ' ' SER . 23.6 t-20 -63.92 1.96 0.58 Allowed 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.472 -0.768 . . . . 0.0 110.726 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -86.96 -51.96 5.73 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.752 -1.218 . . . . 0.0 108.778 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.9 ' HG2' HD12 ' B' ' 40' ' ' LEU . 0.0 OUTLIER -106.16 -49.73 3.31 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.334 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.9 HD12 ' HG2' ' B' ' 39' ' ' GLU . 9.2 mp -58.31 -44.56 88.66 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.724 -0.61 . . . . 0.0 109.923 -178.716 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.507 ' HB3' ' O ' ' B' ' 37' ' ' ASN . 2.1 t -41.59 -28.16 0.12 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.495 -0.753 . . . . 0.0 109.688 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 42' ' ' HIS . . . . . 0.441 ' N ' ' O ' ' B' ' 40' ' ' LEU . 1.5 t-80 -58.53 -54.21 49.6 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.158 -0.963 . . . . 0.0 109.471 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 43' ' ' PHE . . . . . 0.544 ' CD1' ' N ' ' B' ' 43' ' ' PHE . 0.8 OUTLIER -75.51 0.67 16.44 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.227 -0.92 . . . . 0.0 109.722 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.445 ' HB2' ' HA ' ' B' ' 41' ' ' SER . 2.5 tt -75.03 106.04 6.34 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.206 -0.934 . . . . 0.0 109.597 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.46 -45.14 0.11 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.368 -0.832 . . . . 0.0 109.182 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -123.37 -41.01 2.32 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.375 -0.828 . . . . 0.0 109.116 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.419 HG23 ' O ' ' B' ' 83' ' ' ALA . 69.6 mt 60.11 85.82 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.284 -0.885 . . . . 0.0 109.864 179.666 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 6.7 tttm -61.53 -42.02 98.2 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.136 -0.978 . . . . 0.0 108.98 179.535 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.847 ' OE1' HG23 ' B' ' 52' ' ' VAL . 8.4 mm-40 -89.84 77.11 7.06 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.379 -0.825 . . . . 0.0 109.172 179.586 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 50' ' ' GLN . . . . . 0.457 ' O ' ' HB2' ' B' ' 54' ' ' ASP . 4.9 tt0 -62.82 -26.84 68.94 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.317 -0.865 . . . . 0.0 109.672 -179.694 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -76.21 -29.07 57.48 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.077 -1.014 . . . . 0.0 109.754 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.847 HG23 ' OE1' ' B' ' 49' ' ' GLU . 81.8 t -72.89 -51.18 28.15 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.263 -0.898 . . . . 0.0 109.668 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.449 HG22 HG12 ' B' ' 80' ' ' VAL . 78.1 t -72.62 -27.99 26.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.195 -0.941 . . . . 0.0 109.275 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 54' ' ' ASP . . . . . 0.475 ' O ' ' HG3' ' B' ' 58' ' ' GLU . 1.2 m-20 -77.32 -20.08 55.45 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.165 -0.959 . . . . 0.0 108.792 179.362 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.05 -53.63 6.82 Favored 'General case' 0 N--CA 1.486 1.331 0 O-C-N 121.248 -0.907 . . . . 0.0 109.066 179.684 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.716 HG21 HG13 ' B' ' 80' ' ' VAL . 11.5 m -67.48 -41.0 85.54 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.144 -0.973 . . . . 0.0 108.89 179.464 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.412 ' N ' HG23 ' B' ' 56' ' ' VAL . 0.8 OUTLIER -66.78 -24.73 66.23 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 179.583 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 58' ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' B' ' 54' ' ' ASP . 0.3 OUTLIER -72.46 -55.23 7.33 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.362 -0.836 . . . . 0.0 109.251 179.639 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.58 -27.36 68.58 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 179.395 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.659 HD13 ' HG3' ' B' ' 33' ' ' LYS . 9.7 mt -65.71 -52.92 47.5 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-O 121.5 0.667 . . . . 0.0 109.5 179.652 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.63 -14.94 61.26 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.456 -0.778 . . . . 0.0 109.941 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -66.07 -63.46 1.08 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.128 -0.983 . . . . 0.0 109.65 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.475 ' HB2' ' HE3' ' B' ' 29' ' ' LYS . 0.4 OUTLIER -82.45 -68.91 0.66 Allowed 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.323 -0.861 . . . . 0.0 109.564 -179.891 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 90.87 -39.93 3.04 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.431 -1.468 . . . . 0.0 109.431 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -124.41 49.51 1.79 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.356 -1.085 . . . . 0.0 109.376 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 66' ' ' GLY . . . . . 0.496 ' HA3' ' HD2' ' B' ' 29' ' ' LYS . . . -109.03 -171.16 20.84 Favored Glycine 0 N--CA 1.487 2.1 0 N-CA-C 109.625 -1.39 . . . . 0.0 109.625 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -124.86 142.11 51.67 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.289 -1.124 . . . . 0.0 109.668 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 56.1 m -113.29 162.68 15.74 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.332 -0.855 . . . . 0.0 109.406 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -92.63 172.23 8.49 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.236 -0.915 . . . . 0.0 109.404 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.616 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 24.6 p90 -70.16 -39.14 75.49 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.213 -0.93 . . . . 0.0 109.276 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.951 ' HA ' HG21 ' A' ' 82' ' ' THR . 0.0 OUTLIER -78.46 -29.26 46.79 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.231 -0.918 . . . . 0.0 109.393 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.87 -59.13 3.53 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.136 -0.978 . . . . 0.0 108.978 179.58 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.681 ' CD2' ' CE1' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -51.09 -22.14 2.28 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 179.236 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.787 ' CE ' HD22 ' B' ' 10' ' ' LEU . 0.6 OUTLIER -74.6 -64.43 1.03 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.39 -0.819 . . . . 0.0 109.798 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.492 ' O ' ' HG2' ' B' ' 79' ' ' MET . . . -58.95 -15.26 12.05 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.508 -0.745 . . . . 0.0 109.51 -179.349 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.662 ' O ' HG22 ' B' ' 80' ' ' VAL . 0.1 OUTLIER -79.72 -46.91 16.18 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.431 -0.793 . . . . 0.0 109.332 179.726 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.593 HG11 HD21 ' B' ' 10' ' ' LEU . 76.4 t -64.01 -27.84 43.64 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 121.307 -0.87 . . . . 0.0 110.227 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 78' ' ' SER . . . . . 0.543 ' HA ' ' HE3' ' A' ' 7' ' ' MET . 16.3 m -80.19 -45.77 17.49 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.073 -1.017 . . . . 0.0 111.396 -178.843 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 79' ' ' MET . . . . . 0.52 ' SD ' ' CG1' ' B' ' 56' ' ' VAL . 5.3 ptm -56.72 -38.24 72.07 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.042 -1.037 . . . . 0.0 111.104 -178.401 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.851 ' HB ' HD23 ' B' ' 40' ' ' LEU . 0.0 OUTLIER -77.74 -33.45 18.91 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 120.942 -1.099 . . . . 0.0 110.793 -179.027 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.668 HG21 ' SD ' ' A' ' 7' ' ' MET . 1.7 m -65.22 -13.93 59.47 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.627 -1.295 . . . . 0.0 109.638 -179.527 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.932 HG21 ' HA ' ' A' ' 71' ' ' GLN . 1.5 p -105.01 -14.74 15.32 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.133 -0.98 . . . . 0.0 109.481 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.593 ' HB2' HG11 ' B' ' 52' ' ' VAL . . . . . . . . 0 N--CA 1.489 1.495 0 O-C-N 121.263 -0.898 . . . . 0.0 109.588 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' SER . . . . . 0.424 ' OG ' ' HB2' ' A' ' 4' ' ' GLU . 53.1 p . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.731 ' HB2' HG22 ' B' ' 13' ' ' VAL . 36.5 mm-40 -80.39 -43.75 20.52 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.189 -0.944 . . . . 0.0 109.677 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.7 HD23 ' HG ' ' B' ' 40' ' ' LEU . 3.4 tp -70.14 -33.85 72.31 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.229 -0.919 . . . . 0.0 109.657 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.599 ' O ' HG23 ' A' ' 8' ' ' VAL . 1.6 mt-10 -69.79 -62.56 1.33 Allowed 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.415 -0.803 . . . . 0.0 110.165 -179.399 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.848 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.1 OUTLIER -58.73 -33.92 70.77 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.219 -0.926 . . . . 0.0 109.698 -179.218 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.533 ' N ' ' HD3' ' A' ' 5' ' ' LYS . . . -80.75 -71.1 0.48 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.034 -1.041 . . . . 0.0 110.135 -179.676 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.904 ' HG3' HG21 ' B' ' 81' ' ' THR . 6.7 tpt -47.64 -55.01 10.3 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.421 -0.799 . . . . 0.0 109.676 -179.634 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 4' ' ' GLU . 6.1 t -60.31 -34.4 57.36 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 O-C-N 121.47 -0.769 . . . . 0.0 109.367 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.848 ' HB2' ' O ' ' A' ' 5' ' ' LYS . . . -59.87 -34.51 73.23 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.136 -0.977 . . . . 0.0 108.643 179.272 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.974 HD22 ' HE3' ' A' ' 74' ' ' MET . 0.4 OUTLIER -57.43 -41.33 80.24 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.314 -0.866 . . . . 0.0 108.777 179.458 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.604 ' N ' HD12 ' A' ' 11' ' ' ILE . 1.4 mp -58.84 -35.06 54.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 179.422 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 13' ' ' VAL . 11.8 t0 -62.49 -52.18 64.53 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.418 -0.801 . . . . 0.0 109.429 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.736 HG22 ' HB2' ' B' ' 2' ' ' GLU . 54.5 t -43.68 -36.76 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.375 -0.828 . . . . 0.0 109.498 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.494 ' CE1' ' HG ' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -62.72 -47.21 84.57 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.214 -0.929 . . . . 0.0 109.623 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -73.05 -2.0 19.51 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.219 -0.926 . . . . 0.0 109.692 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.84 -44.85 8.27 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.083 -1.011 . . . . 0.0 109.584 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.507 ' HE1' HG13 ' A' ' 13' ' ' VAL . 95.8 m-85 -87.94 -57.38 2.96 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.197 -0.94 . . . . 0.0 109.617 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.9 t . . . . . 0 N--CA 1.492 1.639 0 O-C-N 121.184 -0.948 . . . . 0.0 109.748 -179.715 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 36.0 m80 . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.315 0.578 . . . . 0.0 109.584 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.53 130.24 13.19 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.167 -0.958 . . . . 0.0 109.168 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.494 ' HG ' ' CE1' ' A' ' 14' ' ' PHE . 1.1 mt -102.0 -156.96 0.58 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.168 -0.958 . . . . 0.0 109.22 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -150.74 169.32 21.93 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.092 -1.005 . . . . 0.0 109.351 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.548 ' HG3' ' CA ' ' A' ' 64' ' ' GLY . 1.1 ptmt -78.01 -19.93 53.47 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.109 -0.994 . . . . 0.0 109.363 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.9 -44.32 20.61 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.241 -0.912 . . . . 0.0 109.029 179.566 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.507 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 7.7 tt0 -78.56 -16.87 56.94 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 179.009 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.506 ' O ' HG13 ' A' ' 36' ' ' ILE . 30.3 tp -80.31 -41.24 25.26 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 178.508 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.779 ' HB2' HD22 ' A' ' 60' ' ' LEU . 2.5 tttt -56.71 -44.24 81.35 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.793 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.521 ' HG3' ' N ' ' A' ' 35' ' ' LEU . 9.9 pt-20 -71.5 -39.49 70.78 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 179.233 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.599 HD11 HG11 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -48.67 -42.94 36.21 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 179.625 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -80.64 -58.32 3.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.254 -0.904 . . . . 0.0 110.114 -179.649 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.514 ' O ' ' CB ' ' A' ' 41' ' ' SER . 43.7 t-20 -68.61 -62.75 1.25 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.239 -0.913 . . . . 0.0 109.986 -179.239 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.486 ' HB3' ' O ' ' A' ' 34' ' ' GLU . 13.4 t-20 -43.41 -52.22 6.09 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.139 -0.975 . . . . 0.0 110.242 -179.589 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.471 ' HB2' ' O ' ' A' ' 35' ' ' LEU . 24.4 mm-40 -79.23 -79.58 0.13 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.107 -0.996 . . . . 0.0 110.361 -179.258 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.705 ' HG ' HD23 ' B' ' 3' ' ' LEU . 45.9 mt -58.5 -94.24 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.091 -1.005 . . . . 0.0 110.058 -179.03 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.514 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 4.3 t 52.49 20.27 1.41 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.07 -1.019 . . . . 0.0 109.536 -179.711 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -96.42 -26.13 15.44 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.151 -0.968 . . . . 0.0 109.425 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -117.2 56.14 0.83 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.322 -0.861 . . . . 0.0 109.432 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.09 54.53 1.95 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.176 -0.952 . . . . 0.0 109.591 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -99.17 -72.82 0.65 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.249 -0.907 . . . . 0.0 109.365 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.433 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 48.3 mt-10 -97.74 -24.59 15.41 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.266 -0.896 . . . . 0.0 109.397 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.433 ' HB ' ' O ' ' A' ' 46' ' ' GLU . 23.0 mt 61.04 111.51 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.252 -0.905 . . . . 0.0 109.73 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.18 -43.96 9.54 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.274 -0.891 . . . . 0.0 109.326 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.862 ' OE1' HG23 ' A' ' 52' ' ' VAL . 7.4 mm-40 -85.2 64.61 8.77 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.251 -0.905 . . . . 0.0 109.077 179.67 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.552 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 0.9 OUTLIER -46.88 -24.82 0.65 Allowed 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.19 -0.944 . . . . 0.0 110.08 -179.609 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -80.58 -41.3 24.26 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.002 -1.061 . . . . 0.0 110.424 -179.326 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.862 HG23 ' OE1' ' A' ' 49' ' ' GLU . 98.2 t -69.12 -46.29 78.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.025 -1.047 . . . . 0.0 109.9 -179.41 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.464 HG23 ' CB ' ' A' ' 83' ' ' ALA . 59.3 t -75.14 -29.99 22.53 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 O-C-N 121.178 -0.951 . . . . 0.0 109.747 -179.679 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.552 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 33.8 t70 -80.47 -20.42 43.75 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.02 -1.05 . . . . 0.0 109.096 179.685 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.417 ' C ' ' CD ' ' A' ' 55' ' ' LYS . 0.5 OUTLIER -77.27 -43.15 34.33 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 121.197 -0.94 . . . . 0.0 109.104 179.85 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.972 HG21 ' CG1' ' A' ' 80' ' ' VAL . 7.5 m -78.16 -37.12 22.12 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 O-C-N 121.096 -1.002 . . . . 0.0 108.884 179.382 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 36.3 tpp -71.36 -23.77 61.96 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 179.487 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.475 ' O ' ' HB2' ' A' ' 62' ' ' GLU . 3.9 mt-10 -75.46 -51.5 12.88 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.238 -0.914 . . . . 0.0 109.364 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.4 m -64.82 -33.1 75.19 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 179.3 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.779 HD22 ' HB2' ' A' ' 33' ' ' LYS . 9.7 mt -61.52 -53.11 60.71 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 179.384 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.37 -6.95 58.83 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.46 -0.775 . . . . 0.0 109.557 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.475 ' HB2' ' O ' ' A' ' 58' ' ' GLU . 3.8 tt0 -66.97 -40.86 87.56 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.106 -0.996 . . . . 0.0 109.691 -179.706 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.521 ' CB ' ' HE2' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -125.14 -55.72 1.56 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.268 -0.895 . . . . 0.0 109.802 -179.753 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.548 ' CA ' ' HG3' ' A' ' 29' ' ' LYS . . . 89.73 -52.41 3.64 Favored Glycine 0 N--CA 1.49 2.3 0 N-CA-C 109.365 -1.494 . . . . 0.0 109.365 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -105.26 89.32 3.09 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.28 -1.13 . . . . 0.0 109.361 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.54 ' N ' ' HD3' ' A' ' 29' ' ' LYS . . . -147.25 175.71 26.48 Favored Glycine 0 N--CA 1.488 2.134 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -110.45 125.09 52.91 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.289 -1.124 . . . . 0.0 109.702 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.2 m -106.96 173.83 6.15 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.354 -0.841 . . . . 0.0 109.104 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.402 ' H ' ' HB2' ' A' ' 72' ' ' GLU . 35.6 m-20 -115.18 -176.23 2.87 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.203 -0.935 . . . . 0.0 109.198 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.468 ' CE1' ' SD ' ' A' ' 74' ' ' MET . 10.2 t80 -74.39 -49.04 24.22 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.092 -1.005 . . . . 0.0 109.277 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.7 ' HA ' HG21 ' B' ' 82' ' ' THR . 0.0 OUTLIER -61.86 -23.04 66.02 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.243 -0.911 . . . . 0.0 109.333 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.45 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 0.5 OUTLIER -79.28 -54.32 6.07 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.215 -0.928 . . . . 0.0 109.086 179.721 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.754 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.1 OUTLIER -60.32 -21.44 62.03 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 179.261 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.974 ' HE3' HD22 ' A' ' 10' ' ' LEU . 0.7 OUTLIER -77.98 -60.1 2.51 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.376 -0.828 . . . . 0.0 109.334 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.517 ' O ' ' HG2' ' A' ' 79' ' ' MET . . . -62.49 -17.0 58.64 Favored 'General case' 0 C--N 1.302 -1.499 0 C-N-CA 119.676 -0.809 . . . . 0.0 109.48 -179.622 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.714 ' O ' HG22 ' A' ' 80' ' ' VAL . 0.3 OUTLIER -81.47 -43.44 18.84 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.313 -0.867 . . . . 0.0 109.789 179.867 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.761 HG12 ' SD ' ' B' ' 7' ' ' MET . 53.4 t -71.96 -25.33 23.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.339 -0.85 . . . . 0.0 110.341 -179.28 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.436 ' O ' ' OG1' ' A' ' 82' ' ' THR . 57.3 p -76.27 -52.63 9.6 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.144 -0.973 . . . . 0.0 110.758 -178.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.719 ' HB2' HG13 ' A' ' 52' ' ' VAL . 13.8 ptp -58.1 -42.45 85.68 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.945 -1.097 . . . . 0.0 110.281 -179.131 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.972 ' CG1' HG21 ' A' ' 56' ' ' VAL . 9.1 m -65.2 -41.45 91.67 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 O-C-N 121.004 -1.06 . . . . 0.0 110.037 -179.705 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.931 HG21 ' HG3' ' B' ' 7' ' ' MET . 5.3 m -70.42 -13.21 62.04 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.998 -1.064 . . . . 0.0 109.417 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.853 HG23 ' HG2' ' B' ' 74' ' ' MET . 0.1 OUTLIER -100.33 1.27 41.4 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.22 -0.925 . . . . 0.0 109.61 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.464 ' CB ' HG23 ' A' ' 53' ' ' VAL . . . . . . . . 0 N--CA 1.487 1.397 0 O-C-N 121.161 -0.962 . . . . 0.0 109.191 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 1' ' ' SER . . . . . 0.435 ' OG ' ' HB2' ' B' ' 4' ' ' GLU . 53.1 p . . . . . 0 N--CA 1.492 1.663 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.736 ' HB2' HG22 ' A' ' 13' ' ' VAL . 36.4 mm-40 -80.46 -43.72 20.41 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.232 -0.917 . . . . 0.0 109.694 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.705 HD23 ' HG ' ' A' ' 40' ' ' LEU . 3.4 tp -70.08 -33.89 72.48 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.279 -0.888 . . . . 0.0 109.617 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 4' ' ' GLU . . . . . 0.604 ' O ' HG23 ' B' ' 8' ' ' VAL . 1.6 mt-10 -69.85 -62.54 1.34 Allowed 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.312 -0.867 . . . . 0.0 110.122 -179.309 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.864 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 0.1 OUTLIER -58.81 -33.93 70.93 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.224 -0.923 . . . . 0.0 109.595 -179.14 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.548 ' N ' ' HD3' ' B' ' 5' ' ' LYS . . . -80.8 -71.06 0.48 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.992 -1.068 . . . . 0.0 110.141 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 7' ' ' MET . . . . . 0.931 ' HG3' HG21 ' A' ' 81' ' ' THR . 6.6 tpt -47.63 -54.94 10.48 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-O 121.721 0.772 . . . . 0.0 109.628 -179.627 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.604 HG23 ' O ' ' B' ' 4' ' ' GLU . 6.1 t -60.35 -34.36 57.34 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.579 0 C-N-CA 119.822 -0.751 . . . . 0.0 109.347 -179.697 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.864 ' HB2' ' O ' ' B' ' 5' ' ' LYS . . . -59.97 -34.55 73.44 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.13 -0.981 . . . . 0.0 108.615 179.288 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.945 HD22 ' HE3' ' B' ' 74' ' ' MET . 0.4 OUTLIER -57.29 -41.39 79.73 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.373 -0.83 . . . . 0.0 108.791 179.412 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.596 ' N ' HD12 ' B' ' 11' ' ' ILE . 1.4 mp -58.83 -35.15 54.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.344 -0.848 . . . . 0.0 108.778 179.417 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' B' ' 13' ' ' VAL . 11.7 t0 -62.42 -52.11 64.85 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.365 -0.835 . . . . 0.0 109.463 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 13' ' ' VAL . . . . . 0.731 HG22 ' HB2' ' A' ' 2' ' ' GLU . 54.4 t -43.68 -36.82 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.348 -0.845 . . . . 0.0 109.529 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.483 ' CE1' ' HG ' ' B' ' 27' ' ' LEU . 0.6 OUTLIER -62.66 -47.34 84.13 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.241 -0.912 . . . . 0.0 109.574 -179.898 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -72.9 -2.06 19.34 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.112 -0.993 . . . . 0.0 109.694 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.9 -44.84 8.26 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.204 -0.935 . . . . 0.0 109.603 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.518 ' HE1' HG13 ' B' ' 13' ' ' VAL . 95.8 m-85 -87.91 -57.33 2.98 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.273 -0.892 . . . . 0.0 109.69 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 4.9 t . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.343 -0.848 . . . . 0.0 109.796 -179.76 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 35.9 m80 . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.336 0.588 . . . . 0.0 109.591 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.53 130.23 13.17 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.217 -0.927 . . . . 0.0 109.206 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.5 HD23 ' HA ' ' B' ' 27' ' ' LEU . 1.1 mt -102.07 -156.98 0.58 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.283 -0.886 . . . . 0.0 109.182 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -150.72 169.34 21.85 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.09 -1.006 . . . . 0.0 109.373 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.538 ' HD3' ' N ' ' B' ' 66' ' ' GLY . 1.1 ptmt -78.05 -19.98 53.27 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.081 -1.012 . . . . 0.0 109.259 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.83 -44.3 20.79 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.236 -0.915 . . . . 0.0 109.051 179.568 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.502 ' O ' ' HG2' ' B' ' 34' ' ' GLU . 7.7 tt0 -78.63 -16.88 56.84 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 179.016 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.51 ' O ' HG13 ' B' ' 36' ' ' ILE . 30.3 tp -80.27 -41.3 25.27 Favored 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 178.493 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.774 ' HB2' HD22 ' B' ' 60' ' ' LEU . 2.5 tttt -56.81 -44.18 81.72 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 178.816 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.528 ' HG3' ' N ' ' B' ' 35' ' ' LEU . 9.9 pt-20 -71.49 -39.51 70.82 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.214 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.597 HD11 HG11 ' B' ' 13' ' ' VAL . 0.2 OUTLIER -48.66 -43.03 36.31 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 179.646 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.51 HG13 ' O ' ' B' ' 32' ' ' LEU . 0.4 OUTLIER -80.6 -58.32 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.248 -0.908 . . . . 0.0 110.149 -179.693 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.532 ' O ' ' CB ' ' B' ' 41' ' ' SER . 43.7 t-20 -68.69 -62.73 1.26 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.276 -0.89 . . . . 0.0 109.901 -179.183 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.481 ' HB3' ' O ' ' B' ' 34' ' ' GLU . 13.6 t-20 -43.45 -52.18 6.18 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.123 -0.985 . . . . 0.0 110.221 -179.573 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.465 ' HB2' ' O ' ' B' ' 35' ' ' LEU . 24.4 mm-40 -79.3 -79.57 0.13 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.15 -0.968 . . . . 0.0 110.372 -179.254 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.7 ' HG ' HD23 ' A' ' 3' ' ' LEU . 46.1 mt -58.46 -94.19 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.339 0 O-C-N 121.118 -0.989 . . . . 0.0 110.166 -179.114 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.532 ' CB ' ' O ' ' B' ' 37' ' ' ASN . 4.3 t 52.5 20.27 1.42 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.096 -1.003 . . . . 0.0 109.498 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -96.45 -26.24 15.38 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.248 -0.907 . . . . 0.0 109.43 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -117.05 56.09 0.82 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.251 -0.905 . . . . 0.0 109.477 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.11 54.53 1.95 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.281 -0.887 . . . . 0.0 109.557 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -99.2 -72.75 0.65 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.327 -0.858 . . . . 0.0 109.385 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' GLU . . . . . 0.436 ' O ' ' HB ' ' B' ' 47' ' ' ILE . 48.5 mt-10 -97.85 -24.49 15.41 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.339 -0.851 . . . . 0.0 109.379 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.436 ' HB ' ' O ' ' B' ' 46' ' ' GLU . 23.1 mt 60.97 111.61 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.328 -0.857 . . . . 0.0 109.708 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.26 -43.89 9.54 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.261 -0.899 . . . . 0.0 109.398 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.869 ' OE1' HG23 ' B' ' 52' ' ' VAL . 7.5 mm-40 -85.2 64.58 8.76 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.258 -0.901 . . . . 0.0 109.078 179.594 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 50' ' ' GLN . . . . . 0.554 ' O ' ' CB ' ' B' ' 54' ' ' ASP . 0.9 OUTLIER -47.0 -24.85 0.68 Allowed 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.266 -0.896 . . . . 0.0 110.022 -179.503 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -80.51 -41.18 24.7 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.988 -1.07 . . . . 0.0 110.466 -179.378 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.869 HG23 ' OE1' ' B' ' 49' ' ' GLU . 97.1 t -69.2 -46.39 77.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 120.984 -1.072 . . . . 0.0 109.907 -179.473 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.462 HG23 ' CB ' ' B' ' 83' ' ' ALA . 58.8 t -75.12 -29.89 22.47 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.259 -0.9 . . . . 0.0 109.773 -179.678 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 54' ' ' ASP . . . . . 0.554 ' CB ' ' O ' ' B' ' 50' ' ' GLN . 33.8 t70 -80.47 -20.46 43.67 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.025 -1.047 . . . . 0.0 109.014 179.656 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 55' ' ' LYS . . . . . 0.415 ' C ' ' CD ' ' B' ' 55' ' ' LYS . 0.5 OUTLIER -77.26 -43.13 34.47 Favored 'General case' 0 C--N 1.306 -1.312 0 O-C-N 121.113 -0.992 . . . . 0.0 109.079 179.871 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.963 HG21 ' CG1' ' B' ' 80' ' ' VAL . 7.7 m -78.12 -37.11 22.21 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.353 0 O-C-N 121.116 -0.99 . . . . 0.0 108.954 179.373 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 36.4 tpp -71.42 -23.9 61.94 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 58' ' ' GLU . . . . . 0.482 ' HB2' ' O ' ' B' ' 54' ' ' ASP . 3.9 mt-10 -75.28 -51.62 12.81 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.308 -0.87 . . . . 0.0 109.326 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 1.4 m -64.77 -33.13 75.25 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 179.366 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.774 HD22 ' HB2' ' B' ' 33' ' ' LYS . 9.6 mt -61.65 -52.89 62.48 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 179.414 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.44 -6.88 58.78 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.433 -0.792 . . . . 0.0 109.597 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.474 ' HB2' ' O ' ' B' ' 58' ' ' GLU . 3.8 tt0 -67.01 -40.9 87.4 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.224 -0.923 . . . . 0.0 109.664 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.529 ' CB ' ' HE2' ' B' ' 29' ' ' LYS . 0.1 OUTLIER -125.12 -55.8 1.56 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.238 -0.914 . . . . 0.0 109.829 -179.745 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 64' ' ' GLY . . . . . 0.534 ' CA ' ' HG3' ' B' ' 29' ' ' LYS . . . 89.76 -52.34 3.62 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.427 -1.469 . . . . 0.0 109.427 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -105.21 89.36 3.1 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.294 -1.121 . . . . 0.0 109.321 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 66' ' ' GLY . . . . . 0.538 ' N ' ' HD3' ' B' ' 29' ' ' LYS . . . -147.26 175.67 26.51 Favored Glycine 0 N--CA 1.488 2.106 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -110.5 125.08 52.94 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.301 -1.117 . . . . 0.0 109.666 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 3.1 m -107.02 173.83 6.15 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.33 -0.856 . . . . 0.0 109.031 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -115.1 -176.33 2.88 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.312 -0.867 . . . . 0.0 109.254 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.47 ' CE1' ' SD ' ' B' ' 74' ' ' MET . 10.3 t80 -74.34 -49.01 24.61 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.085 -1.009 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.68 ' HA ' HG21 ' A' ' 82' ' ' THR . 0.0 OUTLIER -61.86 -23.01 66.01 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.166 -0.959 . . . . 0.0 109.346 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.459 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 0.5 OUTLIER -79.44 -54.23 6.13 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.202 -0.936 . . . . 0.0 109.095 179.757 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.755 ' O ' HG23 ' B' ' 77' ' ' VAL . 0.1 OUTLIER -60.27 -21.5 62.0 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.168 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.945 ' HE3' HD22 ' B' ' 10' ' ' LEU . 0.7 OUTLIER -77.93 -60.16 2.48 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.412 -0.805 . . . . 0.0 109.4 179.862 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.518 ' O ' ' HG2' ' B' ' 79' ' ' MET . . . -62.39 -17.04 58.13 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.432 -0.793 . . . . 0.0 109.529 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.729 ' O ' HG22 ' B' ' 80' ' ' VAL . 0.3 OUTLIER -81.51 -43.41 18.82 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.433 -0.792 . . . . 0.0 109.806 179.875 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.763 HG12 ' SD ' ' A' ' 7' ' ' MET . 53.8 t -72.15 -25.11 23.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.301 -0.874 . . . . 0.0 110.235 -179.208 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 78' ' ' SER . . . . . 0.436 ' O ' ' OG1' ' B' ' 82' ' ' THR . 57.7 p -76.31 -52.74 9.34 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.126 -0.984 . . . . 0.0 110.737 -178.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 79' ' ' MET . . . . . 0.709 ' HB2' HG13 ' B' ' 52' ' ' VAL . 13.8 ptp -58.15 -42.39 85.83 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.868 -1.145 . . . . 0.0 110.269 -179.071 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.963 ' CG1' HG21 ' B' ' 56' ' ' VAL . 8.6 m -65.26 -41.45 91.53 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 O-C-N 120.97 -1.081 . . . . 0.0 109.964 -179.673 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.904 HG21 ' HG3' ' A' ' 7' ' ' MET . 5.2 m -70.42 -13.19 62.03 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.078 -1.014 . . . . 0.0 109.384 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.842 HG23 ' HG2' ' A' ' 74' ' ' MET . 0.1 OUTLIER -100.34 1.2 41.31 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.184 -0.948 . . . . 0.0 109.627 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.462 ' CB ' HG23 ' B' ' 53' ' ' VAL . . . . . . . . 0 N--CA 1.488 1.474 0 O-C-N 121.193 -0.942 . . . . 0.0 109.194 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 1' ' ' SER . . . . . 0.474 ' O ' ' CG ' ' A' ' 5' ' ' LYS . 0.9 OUTLIER . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 121.302 0.572 . . . . 0.0 109.649 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.839 ' HB3' HG22 ' B' ' 13' ' ' VAL . 0.8 OUTLIER -80.34 -45.33 17.97 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.327 -0.858 . . . . 0.0 109.644 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.633 HD13 HG11 ' B' ' 13' ' ' VAL . 9.0 tp -79.78 -43.85 21.75 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.241 -0.912 . . . . 0.0 109.949 -179.617 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.551 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 7.9 tt0 -61.75 -44.6 96.59 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.011 -1.055 . . . . 0.0 110.034 -179.277 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.474 ' CG ' ' O ' ' A' ' 1' ' ' SER . 1.7 pttt -70.82 -35.93 72.7 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.645 -1.284 . . . . 0.0 110.118 -179.441 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.502 ' HB2' ' HB1' ' B' ' 9' ' ' ALA . . . -80.56 -70.11 0.55 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.1 -1.0 . . . . 0.0 110.248 -179.394 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.733 ' HE2' HG12 ' B' ' 77' ' ' VAL . 4.3 tpt -45.79 -51.45 12.74 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.467 -0.771 . . . . 0.0 110.194 -179.3 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.551 ' CG2' ' O ' ' A' ' 4' ' ' GLU . 23.1 t -61.36 -34.81 62.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.297 -0.877 . . . . 0.0 109.443 -179.324 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.484 ' HB1' ' HB2' ' B' ' 6' ' ' ALA . . . -55.71 -38.65 70.01 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.099 -1.0 . . . . 0.0 108.805 179.313 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.691 HD22 ' SD ' ' A' ' 74' ' ' MET . 0.5 OUTLIER -58.62 -52.39 65.88 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.28 -0.887 . . . . 0.0 108.724 179.432 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.1 mp -48.98 -37.0 8.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.254 -0.904 . . . . 0.0 108.608 179.262 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -55.49 -50.85 68.83 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.287 -0.883 . . . . 0.0 109.512 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.81 HG22 ' HB3' ' B' ' 2' ' ' GLU . 46.4 t -49.51 -36.7 10.47 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.412 -0.805 . . . . 0.0 109.964 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.469 ' CE2' ' HA ' ' A' ' 70' ' ' PHE . 2.2 t80 -58.13 -44.43 87.79 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.213 -0.929 . . . . 0.0 109.657 -179.578 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -80.67 -7.51 59.34 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.144 -0.973 . . . . 0.0 109.564 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.477 ' HB2' ' HA ' ' A' ' 13' ' ' VAL . 0.6 OUTLIER -83.46 -26.45 30.28 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.236 -0.915 . . . . 0.0 109.456 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.459 ' CD1' HD21 ' A' ' 35' ' ' LEU . 43.3 m-85 -106.66 -53.11 2.67 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.293 -0.879 . . . . 0.0 109.462 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.554 0 O-C-N 121.22 -0.925 . . . . 0.0 109.463 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.583 ' O ' ' CE1' ' A' ' 70' ' ' PHE . 23.6 m-70 . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.375 0.607 . . . . 0.0 109.433 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.453 ' HG2' ' C ' ' A' ' 25' ' ' HIS . 6.7 mttm -137.22 145.57 43.79 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.237 -0.915 . . . . 0.0 109.122 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.52 ' O ' ' CB ' ' A' ' 68' ' ' CYS . 0.1 OUTLIER -115.93 137.1 52.42 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.14 -0.975 . . . . 0.0 108.932 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.515 ' HG3' ' HA ' ' A' ' 67' ' ' GLU . 0.1 OUTLIER -88.58 174.22 8.19 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.002 -1.062 . . . . 0.0 110.014 -179.34 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.662 ' HB2' HD23 ' A' ' 60' ' ' LEU . 6.4 ptpt -76.31 -15.81 59.9 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.349 -0.844 . . . . 0.0 109.733 -179.602 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.53 -44.09 19.67 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.032 -1.042 . . . . 0.0 108.583 179.189 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.478 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 4.6 tt0 -80.46 -17.25 52.24 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 178.794 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.634 HD21 ' CD2' ' A' ' 76' ' ' PHE . 19.1 tp -80.21 -41.87 24.36 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 178.672 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.763 ' HB2' HD22 ' A' ' 60' ' ' LEU . 10.6 tttt -59.32 -43.7 92.65 Favored 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 178.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.544 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 13.5 pt-20 -71.94 -36.81 70.03 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 179.45 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.67 HD11 HG11 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -50.9 -42.45 59.23 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 121.738 -0.601 . . . . 0.0 109.503 179.866 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.738 HG21 HG21 ' A' ' 80' ' ' VAL . 0.3 OUTLIER -81.62 -57.21 4.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.202 -0.937 . . . . 0.0 110.336 -179.431 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -68.46 -0.72 5.32 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.278 -0.889 . . . . 0.0 111.174 -178.785 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.544 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 21.2 t-20 -110.99 -77.08 0.59 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.76 -1.212 . . . . 0.0 109.533 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.611 ' HG3' HD13 ' A' ' 35' ' ' LEU . 0.9 OUTLIER -49.82 -49.4 49.07 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.175 -0.953 . . . . 0.0 108.901 179.839 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.529 ' O ' ' CB ' ' A' ' 41' ' ' SER . 13.3 mt -88.72 -103.6 0.09 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.128 -0.983 . . . . 0.0 108.743 179.417 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.529 ' CB ' ' O ' ' A' ' 40' ' ' LEU . 0.4 OUTLIER 81.23 -42.0 0.16 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.249 -0.907 . . . . 0.0 110.666 179.254 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -67.42 -14.81 63.26 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.957 -1.089 . . . . 0.0 109.91 -179.575 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -108.22 45.73 1.0 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.11 -0.994 . . . . 0.0 109.972 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 1.001 HD13 ' O ' ' A' ' 44' ' ' LEU . 2.8 tm? -127.35 -6.29 5.91 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.172 -0.955 . . . . 0.0 109.524 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.45 ' HG2' ' OE1' ' A' ' 46' ' ' GLU . 25.4 pt-20 -104.08 17.54 23.89 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.975 -1.078 . . . . 0.0 109.764 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.589 ' C ' HD12 ' A' ' 47' ' ' ILE . 2.5 pm0 -150.12 83.47 1.38 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.122 -0.986 . . . . 0.0 109.39 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.589 HD12 ' C ' ' A' ' 46' ' ' GLU . 1.6 mp -151.48 138.57 13.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.372 -0.83 . . . . 0.0 109.387 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -99.28 -21.12 16.21 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.213 -0.929 . . . . 0.0 108.803 179.658 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.543 ' HB3' ' CG2' ' A' ' 52' ' ' VAL . 4.0 mm-40 -84.43 69.05 10.48 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.298 -0.876 . . . . 0.0 109.06 179.667 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.562 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 39.7 tt0 -53.38 -22.24 7.21 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.233 -0.917 . . . . 0.0 109.211 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.503 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 2.4 mt-10 -80.11 -34.91 37.53 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.09 -1.006 . . . . 0.0 110.045 -179.721 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.543 ' CG2' ' HB3' ' A' ' 49' ' ' GLU . 61.1 t -69.22 -48.03 70.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 120.979 -1.076 . . . . 0.0 109.702 -179.764 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.611 HG22 HG12 ' A' ' 80' ' ' VAL . 44.5 t -76.87 -34.08 22.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.126 -0.984 . . . . 0.0 109.513 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.562 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 15.4 t70 -80.18 -14.5 58.41 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.242 -0.911 . . . . 0.0 109.145 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.527 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 1.4 tmtm? -80.28 -38.24 31.22 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 120.971 -1.081 . . . . 0.0 108.564 179.507 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.668 HG21 HG13 ' A' ' 80' ' ' VAL . 2.5 m -81.45 -32.19 11.76 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 178.246 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.25 -23.69 47.22 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.625 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.539 ' HG3' ' N ' ' A' ' 59' ' ' THR . 23.1 pt-20 -80.37 -44.06 20.05 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.185 -0.947 . . . . 0.0 108.872 179.738 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.539 ' N ' ' HG3' ' A' ' 58' ' ' GLU . 0.2 OUTLIER -71.67 -28.57 63.83 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 178.94 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.763 HD22 ' HB2' ' A' ' 33' ' ' LYS . 11.4 mt -69.71 -54.15 15.18 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.585 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -80.55 -8.73 59.69 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.62 -0.675 . . . . 0.0 109.929 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.5 ' HB2' ' O ' ' A' ' 58' ' ' GLU . 4.2 tt0 -71.43 -66.05 0.67 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.121 -0.987 . . . . 0.0 109.522 -179.682 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -84.07 -58.34 2.81 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.331 -0.856 . . . . 0.0 109.779 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.412 ' H ' ' HD3' ' A' ' 29' ' ' LYS . . . 84.82 -16.22 38.07 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.726 -1.35 . . . . 0.0 109.726 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -133.12 74.8 1.58 Allowed 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.233 -1.157 . . . . 0.0 109.56 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.489 ' O ' ' HG2' ' A' ' 28' ' ' LYS . . . -139.84 161.25 26.28 Favored Glycine 0 N--CA 1.488 2.151 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.515 ' HA ' ' HG3' ' A' ' 28' ' ' LYS . 3.0 mp0 -97.84 148.61 23.23 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.228 -1.16 . . . . 0.0 109.935 -179.617 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.52 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 2.8 m -128.11 174.66 9.04 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.432 -0.792 . . . . 0.0 108.943 179.537 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -120.99 -151.99 0.5 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.136 -0.977 . . . . 0.0 110.118 -179.66 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.583 ' CE1' ' O ' ' A' ' 25' ' ' HIS . 69.8 m-85 -92.41 -50.56 5.57 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.425 -0.797 . . . . 0.0 110.051 -179.346 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.456 ' HG2' ' OG1' ' B' ' 82' ' ' THR . 39.3 mt-30 -67.83 -16.11 63.94 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.184 -0.947 . . . . 0.0 108.974 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.453 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 0.6 OUTLIER -81.77 -58.98 2.76 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.289 -0.882 . . . . 0.0 108.756 179.137 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -21.58 65.7 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 179.188 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.822 ' HG3' HG21 ' B' ' 82' ' ' THR . 20.9 mmm -80.75 -55.02 5.11 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.52 -0.738 . . . . 0.0 109.608 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.452 ' O ' ' HG3' ' A' ' 79' ' ' MET . . . -68.33 -12.94 61.87 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.286 -0.884 . . . . 0.0 108.717 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.634 ' CD2' HD21 ' A' ' 32' ' ' LEU . 0.7 OUTLIER -79.95 -44.68 19.86 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 179.311 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.697 HG12 ' CE ' ' B' ' 7' ' ' MET . 55.8 t -63.22 -27.05 42.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.425 -0.797 . . . . 0.0 109.392 179.603 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.554 ' HA ' ' CE ' ' B' ' 7' ' ' MET . 0.0 OUTLIER -77.05 -49.42 15.39 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.241 -0.912 . . . . 0.0 110.411 -179.566 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.493 ' HB3' ' CG1' ' A' ' 52' ' ' VAL . 0.7 OUTLIER -50.14 -41.8 49.53 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.056 -1.027 . . . . 0.0 110.515 -179.285 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.738 HG21 HG21 ' A' ' 36' ' ' ILE . 2.5 m -80.38 -42.73 21.51 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.066 -1.021 . . . . 0.0 111.073 -178.72 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.439 ' OG1' ' HE2' ' B' ' 7' ' ' MET . 2.0 m -73.08 -6.0 42.72 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.813 -1.179 . . . . 0.0 109.844 -179.393 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.804 HG21 ' HG3' ' B' ' 74' ' ' MET . 75.2 p -138.38 18.57 2.75 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.131 -0.981 . . . . 0.0 109.221 179.647 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.441 ' HB3' HG23 ' A' ' 47' ' ' ILE . . . . . . . . 0 N--CA 1.489 1.494 0 O-C-N 121.319 -0.863 . . . . 0.0 109.22 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 1' ' ' SER . . . . . 0.473 ' O ' ' CG ' ' B' ' 5' ' ' LYS . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 121.238 0.542 . . . . 0.0 109.705 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.81 ' HB3' HG22 ' A' ' 13' ' ' VAL . 0.8 OUTLIER -80.35 -45.24 18.11 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.353 -0.842 . . . . 0.0 109.638 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.613 HD13 HG11 ' A' ' 13' ' ' VAL . 9.0 tp -79.84 -43.85 21.61 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.146 -0.971 . . . . 0.0 109.988 -179.645 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 4' ' ' GLU . . . . . 0.55 ' O ' ' CG2' ' B' ' 8' ' ' VAL . 7.9 tt0 -61.82 -44.46 96.8 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.002 -1.061 . . . . 0.0 110.126 -179.313 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.473 ' CG ' ' O ' ' B' ' 1' ' ' SER . 1.7 pttt -70.83 -35.99 72.71 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.711 -1.243 . . . . 0.0 110.091 -179.519 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.484 ' HB2' ' HB1' ' A' ' 9' ' ' ALA . . . -80.55 -69.97 0.56 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.123 -0.986 . . . . 0.0 110.274 -179.371 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 7' ' ' MET . . . . . 0.697 ' CE ' HG12 ' A' ' 77' ' ' VAL . 4.3 tpt -45.84 -51.54 12.78 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.447 -0.783 . . . . 0.0 110.197 -179.329 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.55 ' CG2' ' O ' ' B' ' 4' ' ' GLU . 23.1 t -61.26 -34.89 62.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.212 -0.93 . . . . 0.0 109.407 -179.29 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.502 ' HB1' ' HB2' ' A' ' 6' ' ' ALA . . . -55.62 -38.66 69.78 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.074 -1.016 . . . . 0.0 108.843 179.3 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.688 HD22 ' SD ' ' B' ' 74' ' ' MET . 0.5 OUTLIER -58.73 -52.3 66.3 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.279 -0.888 . . . . 0.0 108.712 179.427 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 1.1 mp -49.06 -36.94 9.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 179.292 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -55.45 -50.99 68.4 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.401 -0.812 . . . . 0.0 109.507 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' VAL . . . . . 0.839 HG22 ' HB3' ' A' ' 2' ' ' GLU . 46.5 t -49.49 -36.62 10.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.39 -0.819 . . . . 0.0 109.942 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.474 ' CD1' ' CE2' ' B' ' 70' ' ' PHE . 2.2 t80 -58.1 -44.47 87.69 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.145 -0.972 . . . . 0.0 109.697 -179.65 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -80.7 -7.52 59.36 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.197 -0.939 . . . . 0.0 109.546 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.465 ' HB2' ' HA ' ' B' ' 13' ' ' VAL . 0.6 OUTLIER -83.35 -26.5 30.47 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.303 -0.873 . . . . 0.0 109.409 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.467 ' CD1' HD21 ' B' ' 35' ' ' LEU . 43.1 m-85 -106.67 -53.04 2.68 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.294 -0.879 . . . . 0.0 109.537 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.586 0 O-C-N 121.21 -0.931 . . . . 0.0 109.365 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' HIS . . . . . 0.575 ' O ' ' CE1' ' B' ' 70' ' ' PHE . 23.4 m-70 . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 121.388 0.613 . . . . 0.0 109.409 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.442 ' HG2' ' C ' ' B' ' 25' ' ' HIS . 6.7 mttm -137.16 145.45 43.78 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.265 -0.897 . . . . 0.0 109.165 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.512 ' O ' ' CB ' ' B' ' 68' ' ' CYS . 0.1 OUTLIER -115.75 137.09 52.43 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.156 -0.965 . . . . 0.0 109.007 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.53 ' HG3' ' HA ' ' B' ' 67' ' ' GLU . 0.1 OUTLIER -88.61 174.29 8.14 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.959 -1.088 . . . . 0.0 109.946 -179.311 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.651 ' HB2' HD23 ' B' ' 60' ' ' LEU . 6.4 ptpt -76.35 -15.82 59.88 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.334 -0.854 . . . . 0.0 109.788 -179.642 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.46 -44.13 19.74 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.044 -1.035 . . . . 0.0 108.607 179.196 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.484 ' O ' ' HG2' ' B' ' 34' ' ' GLU . 4.5 tt0 -80.45 -17.29 52.14 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 178.814 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.63 HD21 ' CD2' ' B' ' 76' ' ' PHE . 19.2 tp -80.14 -41.85 24.63 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 178.636 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.765 ' HB2' HD22 ' B' ' 60' ' ' LEU . 10.6 tttt -59.34 -43.69 92.72 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 178.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.541 ' O ' ' CB ' ' B' ' 38' ' ' ASN . 13.6 pt-20 -71.96 -36.73 69.95 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 179.423 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.663 HD11 HG11 ' B' ' 13' ' ' VAL . 0.1 OUTLIER -50.9 -42.44 59.31 Favored 'General case' 0 C--N 1.297 -1.679 0 O-C-N 121.78 -0.575 . . . . 0.0 109.578 179.87 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.749 HG21 HG21 ' B' ' 80' ' ' VAL . 0.3 OUTLIER -81.54 -57.23 4.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.268 -0.895 . . . . 0.0 110.324 -179.473 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -68.52 -0.7 5.37 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.196 -0.94 . . . . 0.0 111.161 -178.689 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.541 ' CB ' ' O ' ' B' ' 34' ' ' GLU . 21.2 t-20 -111.01 -77.01 0.59 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.797 -1.189 . . . . 0.0 109.591 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.609 ' HG3' HD13 ' B' ' 35' ' ' LEU . 0.9 OUTLIER -49.73 -49.47 47.84 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.162 -0.961 . . . . 0.0 109.015 179.698 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.543 ' O ' ' CB ' ' B' ' 41' ' ' SER . 13.4 mt -88.66 -103.56 0.08 Allowed 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.098 -1.001 . . . . 0.0 108.855 179.324 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.543 ' CB ' ' O ' ' B' ' 40' ' ' LEU . 0.4 OUTLIER 81.21 -42.0 0.16 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.227 -0.921 . . . . 0.0 110.653 179.169 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 80.9 m-70 -67.41 -14.7 63.16 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.882 -1.136 . . . . 0.0 109.934 -179.628 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -108.47 45.85 1.0 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.176 -0.952 . . . . 0.0 109.808 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 1.014 HD13 ' O ' ' B' ' 44' ' ' LEU . 2.8 tm? -127.46 -6.22 5.85 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.3 -0.875 . . . . 0.0 109.399 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.455 ' HG2' ' OE1' ' B' ' 46' ' ' GLU . 25.4 pt-20 -104.07 17.53 23.91 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.943 -1.098 . . . . 0.0 109.748 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 46' ' ' GLU . . . . . 0.589 ' C ' HD12 ' B' ' 47' ' ' ILE . 2.4 pm0 -150.12 83.35 1.38 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.305 -0.872 . . . . 0.0 109.308 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.589 HD12 ' C ' ' B' ' 46' ' ' GLU . 1.6 mp -151.43 138.36 13.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.292 -0.88 . . . . 0.0 109.389 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -99.1 -21.12 16.33 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.226 -0.921 . . . . 0.0 108.893 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.544 ' HB3' ' CG2' ' B' ' 52' ' ' VAL . 4.0 mm-40 -84.45 69.03 10.48 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.285 -0.885 . . . . 0.0 109.074 179.684 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 50' ' ' GLN . . . . . 0.551 ' O ' ' CB ' ' B' ' 54' ' ' ASP . 39.4 tt0 -53.44 -22.1 7.2 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.262 -0.899 . . . . 0.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.499 ' O ' ' HB2' ' B' ' 55' ' ' LYS . 2.4 mt-10 -80.17 -34.9 37.18 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.161 -0.962 . . . . 0.0 110.02 -179.763 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.544 ' CG2' ' HB3' ' B' ' 49' ' ' GLU . 61.1 t -69.3 -47.86 71.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.019 -1.051 . . . . 0.0 109.66 -179.687 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.617 HG22 HG12 ' B' ' 80' ' ' VAL . 44.1 t -77.02 -34.03 21.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.136 -0.978 . . . . 0.0 109.415 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 54' ' ' ASP . . . . . 0.551 ' CB ' ' O ' ' B' ' 50' ' ' GLN . 15.4 t70 -80.1 -14.61 58.37 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.202 -0.936 . . . . 0.0 109.213 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 55' ' ' LYS . . . . . 0.535 ' O ' ' HG2' ' B' ' 58' ' ' GLU . 1.4 tmtm? -80.19 -38.24 31.62 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.959 -1.088 . . . . 0.0 108.568 179.503 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.653 HG21 HG13 ' B' ' 80' ' ' VAL . 2.5 m -81.49 -32.23 11.71 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 178.343 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.19 -23.77 47.44 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 58' ' ' GLU . . . . . 0.538 ' HG3' ' N ' ' B' ' 59' ' ' THR . 23.0 pt-20 -80.28 -44.06 20.26 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.151 -0.968 . . . . 0.0 108.979 179.683 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 59' ' ' THR . . . . . 0.538 ' N ' ' HG3' ' B' ' 58' ' ' GLU . 0.2 OUTLIER -71.63 -28.62 63.9 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 178.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.765 HD22 ' HB2' ' B' ' 33' ' ' LYS . 11.4 mt -69.62 -54.15 15.36 Favored 'General case' 0 C--N 1.303 -1.419 0 CA-C-O 121.536 0.684 . . . . 0.0 109.33 179.598 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -80.52 -8.75 59.69 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.561 -0.712 . . . . 0.0 109.843 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.504 ' HB2' ' O ' ' B' ' 58' ' ' GLU . 4.2 tt0 -71.46 -66.05 0.67 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.131 -0.981 . . . . 0.0 109.611 -179.627 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -84.0 -58.34 2.82 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.264 -0.898 . . . . 0.0 109.664 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 64' ' ' GLY . . . . . 0.415 ' H ' ' HD3' ' B' ' 29' ' ' LYS . . . 84.78 -16.23 37.79 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 -179.784 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -133.07 74.81 1.59 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.197 -1.178 . . . . 0.0 109.579 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 66' ' ' GLY . . . . . 0.493 ' O ' ' HG2' ' B' ' 28' ' ' LYS . . . -139.97 161.21 26.33 Favored Glycine 0 N--CA 1.489 2.192 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.53 ' HA ' ' HG3' ' B' ' 28' ' ' LYS . 2.9 mp0 -97.7 148.64 23.13 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.261 -1.141 . . . . 0.0 110.04 -179.606 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.512 ' CB ' ' O ' ' B' ' 27' ' ' LEU . 2.8 m -128.12 174.65 9.06 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.39 -0.819 . . . . 0.0 108.865 179.612 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -121.0 -151.98 0.5 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.153 -0.967 . . . . 0.0 110.103 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.575 ' CE1' ' O ' ' B' ' 25' ' ' HIS . 69.9 m-85 -92.38 -50.56 5.58 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.328 -0.858 . . . . 0.0 110.047 -179.348 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.443 ' HG2' ' OG1' ' A' ' 82' ' ' THR . 39.3 mt-30 -67.83 -16.14 63.96 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.105 -0.997 . . . . 0.0 108.854 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.451 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 0.6 OUTLIER -81.81 -58.97 2.76 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 179.201 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -62.54 -21.65 65.71 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 179.237 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.804 ' HG3' HG21 ' A' ' 82' ' ' THR . 20.9 mmm -80.71 -55.06 5.09 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.472 -0.767 . . . . 0.0 109.601 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.456 ' O ' ' HG3' ' B' ' 79' ' ' MET . . . -68.23 -12.93 61.8 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.63 ' CD2' HD21 ' B' ' 32' ' ' LEU . 0.7 OUTLIER -79.96 -44.65 19.89 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.426 -0.796 . . . . 0.0 108.958 179.287 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.733 HG12 ' HE2' ' A' ' 7' ' ' MET . 55.7 t -63.23 -27.07 42.38 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.287 -0.883 . . . . 0.0 109.453 179.533 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 78' ' ' SER . . . . . 0.543 ' HA ' ' CE ' ' A' ' 7' ' ' MET . 0.0 OUTLIER -76.96 -49.59 15.16 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.216 -0.928 . . . . 0.0 110.285 -179.549 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 79' ' ' MET . . . . . 0.493 ' HB3' ' CG1' ' B' ' 52' ' ' VAL . 0.7 OUTLIER -50.19 -41.68 49.92 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.139 -0.975 . . . . 0.0 110.543 -179.155 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.749 HG21 HG21 ' B' ' 36' ' ' ILE . 2.5 m -80.37 -42.76 21.55 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 120.984 -1.073 . . . . 0.0 111.117 -178.809 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 1.9 m -73.12 -6.09 43.38 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.755 -1.215 . . . . 0.0 109.909 -179.376 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.822 HG21 ' HG3' ' A' ' 74' ' ' MET . 75.0 p -138.24 18.57 2.77 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.226 -0.921 . . . . 0.0 109.278 179.56 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.451 ' HB3' HG23 ' B' ' 47' ' ' ILE . . . . . . . . 0 N--CA 1.488 1.458 0 O-C-N 121.274 -0.891 . . . . 0.0 109.193 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 1' ' ' SER . . . . . 0.493 ' OG ' ' HB3' ' A' ' 4' ' ' GLU . 21.2 p . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.838 ' HB2' HG22 ' B' ' 13' ' ' VAL . 30.0 mm-40 -80.09 -42.48 23.53 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.206 -0.934 . . . . 0.0 109.659 -179.745 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.67 HD11 HD21 ' B' ' 10' ' ' LEU . 5.8 tp -80.0 -48.05 13.97 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.193 -0.942 . . . . 0.0 110.15 -179.566 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.548 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 8.0 tt0 -63.39 -38.69 92.14 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.053 -1.029 . . . . 0.0 110.137 -179.187 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.492 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 25.1 tptt -80.34 -38.27 30.89 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.855 -1.153 . . . . 0.0 109.837 -179.647 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.674 ' CB ' ' HB3' ' B' ' 9' ' ' ALA . . . -80.26 -65.86 0.95 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.206 -0.934 . . . . 0.0 109.861 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.743 ' HE2' HG12 ' B' ' 77' ' ' VAL . 9.9 tpt -46.59 -52.81 12.74 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.468 -0.77 . . . . 0.0 110.033 -179.695 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.548 ' CG2' ' O ' ' A' ' 4' ' ' GLU . 22.3 t -62.74 -32.63 56.34 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.537 0 O-C-N 121.311 -0.868 . . . . 0.0 109.552 -179.53 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.672 ' HB3' ' CB ' ' B' ' 6' ' ' ALA . . . -58.76 -43.9 90.43 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.185 -0.947 . . . . 0.0 108.45 179.209 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.665 HD21 HD11 ' B' ' 3' ' ' LEU . 0.3 OUTLIER -50.64 -45.79 57.94 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 179.043 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -52.51 -42.69 40.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 178.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -52.71 -50.17 63.9 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.413 -0.804 . . . . 0.0 109.259 179.455 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.819 HG22 ' HB2' ' B' ' 2' ' ' GLU . 94.4 t -47.93 -35.26 4.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.374 -0.828 . . . . 0.0 109.59 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.484 ' CD1' ' CE1' ' A' ' 73' ' ' PHE . 1.1 t80 -59.99 -44.71 94.34 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.063 -1.023 . . . . 0.0 109.723 -179.787 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 20.1 t-80 -65.32 -14.89 61.83 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.185 -0.947 . . . . 0.0 109.811 -179.618 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.0 tp60 -89.84 -61.82 1.61 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.1 -1.0 . . . . 0.0 109.959 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.402 ' HB3' ' CD ' ' A' ' 31' ' ' GLU . 44.9 m-85 -69.06 -57.62 5.18 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.25 -0.906 . . . . 0.0 110.22 -179.399 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.401 ' OG ' ' O ' ' A' ' 26' ' ' LYS . 4.9 t . . . . . 0 N--CA 1.491 1.58 0 O-C-N 121.029 -1.044 . . . . 0.0 109.869 -179.567 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.401 ' O ' ' OG ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -149.24 162.03 40.84 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.273 -0.892 . . . . 0.0 109.332 -179.909 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.481 ' O ' ' HB2' ' A' ' 67' ' ' GLU . 0.6 OUTLIER -136.18 -154.57 0.57 Allowed 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.379 -0.826 . . . . 0.0 108.794 179.467 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.524 ' HA ' ' HA ' ' A' ' 67' ' ' GLU . 0.7 OUTLIER -149.43 148.79 29.87 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.227 -0.921 . . . . 0.0 108.94 179.649 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.752 ' O ' HD22 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -58.66 -27.32 64.67 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.092 -1.005 . . . . 0.0 109.582 -179.778 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.553 ' N ' ' HG2' ' A' ' 29' ' ' LYS . 41.2 t -77.32 -38.58 50.17 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.16 -0.962 . . . . 0.0 109.953 -179.497 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.504 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 9.9 tt0 -78.64 -17.94 55.24 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 120.967 -1.083 . . . . 0.0 108.754 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.694 HD13 ' HB2' ' A' ' 73' ' ' PHE . 50.9 tp -81.1 -46.72 14.53 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 178.664 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.45 ' CG ' HD13 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -54.85 -43.0 72.67 Favored 'General case' 0 N--CA 1.486 1.374 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 178.845 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.558 ' HG3' ' N ' ' A' ' 35' ' ' LEU . 8.5 pt-20 -71.1 -41.63 70.35 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 179.187 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.558 ' N ' ' HG3' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -46.41 -42.59 15.38 Favored 'General case' 0 C--N 1.299 -1.587 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 179.348 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.965 ' CG2' HG21 ' A' ' 80' ' ' VAL . 0.6 OUTLIER -79.8 -61.3 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.316 -0.865 . . . . 0.0 109.76 -179.756 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.46 ' O ' ' CB ' ' A' ' 41' ' ' SER . 34.1 t-20 -67.33 -64.02 0.94 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.321 -0.862 . . . . 0.0 109.994 -179.327 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.488 ' HB3' ' O ' ' A' ' 34' ' ' GLU . 10.8 t30 -41.58 -51.38 3.96 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.352 -0.842 . . . . 0.0 110.592 -179.379 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.521 ' HB3' ' HB3' ' B' ' 3' ' ' LEU . 4.0 mm-40 -81.25 -83.41 0.11 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.998 -1.064 . . . . 0.0 110.813 -178.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.615 ' HG ' HD23 ' B' ' 3' ' ' LEU . 20.8 mt -46.77 -87.74 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.408 0 O-C-N 120.96 -1.087 . . . . 0.0 110.096 -179.045 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.46 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 0.4 OUTLIER 44.28 58.6 3.67 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.135 -0.978 . . . . 0.0 109.653 -179.778 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 -140.97 -66.78 0.42 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.111 -0.993 . . . . 0.0 109.624 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -62.92 -12.74 27.36 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.162 -0.961 . . . . 0.0 109.399 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.705 HD13 HD12 ' A' ' 47' ' ' ILE . 0.5 OUTLIER -62.83 88.25 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.282 -0.886 . . . . 0.0 109.7 -179.785 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -134.15 -58.18 0.85 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.352 -0.842 . . . . 0.0 109.058 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.469 ' O ' ' O ' ' A' ' 47' ' ' ILE . 44.8 mt-10 -115.91 -36.96 4.0 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.483 -0.761 . . . . 0.0 108.969 179.646 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.705 HD12 HD13 ' A' ' 44' ' ' LEU . 0.0 OUTLIER 59.33 121.43 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.414 -0.804 . . . . 0.0 109.527 179.653 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.445 ' O ' ' HD2' ' A' ' 48' ' ' LYS . 2.8 tmmm? -103.48 -21.39 13.79 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.165 -0.959 . . . . 0.0 109.372 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.538 ' OE1' HG23 ' A' ' 52' ' ' VAL . 8.0 mm-40 -104.62 65.29 0.76 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.273 -0.892 . . . . 0.0 109.222 179.797 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.532 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -52.26 -22.04 4.04 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.333 -0.854 . . . . 0.0 109.509 -179.9 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.463 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -79.82 -37.34 35.31 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.245 -0.909 . . . . 0.0 109.651 -179.836 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.66 HG13 ' HB3' ' A' ' 79' ' ' MET . 88.1 t -67.87 -47.57 78.82 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 121.221 -0.924 . . . . 0.0 109.463 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.589 HG21 HD11 ' A' ' 47' ' ' ILE . 94.6 t -74.2 -35.03 39.42 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.177 -0.952 . . . . 0.0 109.144 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.532 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 34.5 t70 -75.1 -17.32 60.47 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.279 -0.888 . . . . 0.0 108.932 179.425 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.463 ' HB2' ' O ' ' A' ' 51' ' ' GLU . 4.1 mtpt -79.49 -48.74 13.39 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.212 -0.93 . . . . 0.0 109.482 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.78 HG12 ' CE2' ' A' ' 76' ' ' PHE . 3.0 m -72.94 -36.04 50.48 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 O-C-N 121.172 -0.955 . . . . 0.0 109.153 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 48.4 tpp -72.33 -26.3 61.88 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.466 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 3.5 mt-10 -74.8 -49.87 19.22 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.199 -0.938 . . . . 0.0 108.783 179.416 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.9 m -65.08 -25.93 68.01 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 179.158 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.752 HD22 ' O ' ' A' ' 29' ' ' LYS . 10.6 mt -68.06 -53.67 23.89 Favored 'General case' 0 C--N 1.303 -1.418 0 CA-C-O 121.551 0.691 . . . . 0.0 109.283 179.427 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.89 -7.43 58.73 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.532 -0.73 . . . . 0.0 109.8 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' A' ' 58' ' ' GLU . 30.9 tt0 -80.69 -44.71 18.32 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.106 -0.996 . . . . 0.0 109.606 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.45 -73.18 0.39 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.351 -0.843 . . . . 0.0 109.508 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.466 ' HA2' ' HG3' ' A' ' 29' ' ' LYS . . . 63.32 11.16 38.81 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.741 -1.343 . . . . 0.0 109.741 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.592 ' N ' ' HD2' ' A' ' 29' ' ' LYS . 10.4 t0 -144.56 -29.52 0.47 Allowed 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.183 -1.186 . . . . 0.0 110.652 -179.385 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.483 ' O ' ' HD3' ' A' ' 29' ' ' LYS . . . -89.19 168.57 35.38 Favored Glycine 0 N--CA 1.488 2.113 0 C-N-CA 119.861 -1.161 . . . . 0.0 110.614 -178.634 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.524 ' HA ' ' HA ' ' A' ' 28' ' ' LYS . 9.4 pt-20 -101.15 168.59 9.48 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.641 -0.917 . . . . 0.0 109.987 -179.487 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 34.4 m -113.47 164.79 13.16 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.389 -0.819 . . . . 0.0 109.308 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -97.63 179.32 4.88 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.196 -0.94 . . . . 0.0 109.249 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.409 ' O ' ' HB2' ' A' ' 74' ' ' MET . 0.1 OUTLIER -80.72 -33.84 34.96 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.168 -0.957 . . . . 0.0 108.598 179.445 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.465 ' HG2' ' HB ' ' B' ' 82' ' ' THR . 11.5 mt-30 -79.78 -27.17 40.43 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 179.106 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.28 -53.96 8.67 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.329 -0.857 . . . . 0.0 108.892 179.405 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.694 ' HB2' HD13 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -63.07 -24.34 67.86 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 179.349 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.623 ' HE3' HD22 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -72.05 -50.13 30.97 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.591 -0.693 . . . . 0.0 109.533 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.521 ' O ' ' CG ' ' A' ' 79' ' ' MET . . . -72.25 -16.85 61.93 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.225 -0.922 . . . . 0.0 108.97 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.78 ' CE2' HG12 ' A' ' 56' ' ' VAL . 1.0 OUTLIER -78.95 -34.23 44.6 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.406 -0.809 . . . . 0.0 109.356 179.738 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.746 HG12 ' HE2' ' B' ' 7' ' ' MET . 76.5 t -72.41 -26.17 24.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.229 -0.919 . . . . 0.0 109.463 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.495 ' HA ' ' CE ' ' B' ' 7' ' ' MET . 0.8 OUTLIER -77.38 -46.71 21.9 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.303 -0.873 . . . . 0.0 110.342 -179.321 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.66 ' HB3' HG13 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -54.5 -52.68 61.17 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.162 -0.962 . . . . 0.0 109.415 -179.416 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.965 HG21 ' CG2' ' A' ' 36' ' ' ILE . 16.9 m -65.22 -44.03 95.24 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 O-C-N 121.433 -0.792 . . . . 0.0 110.634 -179.1 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.536 HG21 ' HG3' ' B' ' 7' ' ' MET . 13.0 m -70.23 -4.27 20.98 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.97 -1.081 . . . . 0.0 110.039 -179.338 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.464 ' HB ' ' HG2' ' B' ' 71' ' ' GLN . 62.6 p -128.14 9.2 6.2 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.009 -1.057 . . . . 0.0 109.722 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.477 ' CB ' HG23 ' A' ' 53' ' ' VAL . . . . . . . . 0 N--CA 1.489 1.509 0 O-C-N 121.225 -0.922 . . . . 0.0 109.225 179.662 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 1' ' ' SER . . . . . 0.492 ' OG ' ' HB3' ' B' ' 4' ' ' GLU . 21.3 p . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.819 ' HB2' HG22 ' A' ' 13' ' ' VAL . 29.8 mm-40 -80.05 -42.62 23.38 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.279 -0.888 . . . . 0.0 109.699 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.665 HD11 HD21 ' A' ' 10' ' ' LEU . 5.8 tp -80.03 -47.98 14.03 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.289 -0.882 . . . . 0.0 110.024 -179.518 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 4' ' ' GLU . . . . . 0.549 ' O ' ' CG2' ' B' ' 8' ' ' VAL . 8.0 tt0 -63.41 -38.7 92.15 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 120.977 -1.077 . . . . 0.0 110.152 -179.111 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.49 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 25.2 tptt -80.4 -38.21 30.73 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.897 -1.127 . . . . 0.0 109.799 -179.587 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.672 ' CB ' ' HB3' ' A' ' 9' ' ' ALA . . . -80.14 -65.98 0.94 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.251 -0.906 . . . . 0.0 109.847 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 7' ' ' MET . . . . . 0.746 ' HE2' HG12 ' A' ' 77' ' ' VAL . 9.9 tpt -46.62 -52.78 12.89 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.562 -0.711 . . . . 0.0 109.862 -179.589 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.549 ' CG2' ' O ' ' B' ' 4' ' ' GLU . 22.5 t -62.86 -32.61 56.51 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.567 0 O-C-N 121.345 -0.847 . . . . 0.0 109.5 -179.438 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.674 ' HB3' ' CB ' ' A' ' 6' ' ' ALA . . . -58.76 -43.83 90.42 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.05 -1.031 . . . . 0.0 108.509 179.12 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.67 HD21 HD11 ' A' ' 3' ' ' LEU . 0.3 OUTLIER -50.79 -45.61 59.25 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 179.074 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -52.58 -42.65 40.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 178.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -52.8 -50.12 64.28 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.338 -0.851 . . . . 0.0 109.178 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' VAL . . . . . 0.838 HG22 ' HB2' ' A' ' 2' ' ' GLU . 94.8 t -47.95 -35.23 4.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.535 -0.728 . . . . 0.0 109.663 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.477 ' CD1' ' CE1' ' B' ' 73' ' ' PHE . 1.1 t80 -59.99 -44.71 94.34 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.101 -1.0 . . . . 0.0 109.71 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 20.1 t-80 -65.27 -14.92 61.86 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.186 -0.946 . . . . 0.0 109.839 -179.645 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 15.0 tp60 -89.86 -61.82 1.61 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.237 -0.915 . . . . 0.0 109.989 -179.581 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.401 ' HB3' ' CD ' ' B' ' 31' ' ' GLU . 44.5 m-85 -69.02 -57.6 5.22 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.315 -0.866 . . . . 0.0 110.18 -179.417 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 4.9 t . . . . . 0 N--CA 1.489 1.52 0 O-C-N 121.14 -0.975 . . . . 0.0 109.879 -179.549 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.4 ' HB3' ' OE2' ' B' ' 67' ' ' GLU . 0.0 OUTLIER -149.13 162.09 40.67 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.191 -0.943 . . . . 0.0 109.42 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.491 ' O ' ' HB2' ' B' ' 67' ' ' GLU . 0.6 OUTLIER -136.24 -154.62 0.57 Allowed 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.356 -0.84 . . . . 0.0 108.849 179.507 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.519 ' HA ' ' HA ' ' B' ' 67' ' ' GLU . 0.7 OUTLIER -149.36 148.78 29.9 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.22 -0.925 . . . . 0.0 109.003 179.617 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.766 ' O ' HD22 ' B' ' 60' ' ' LEU . 0.0 OUTLIER -58.56 -27.29 64.44 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.137 -0.977 . . . . 0.0 109.723 -179.845 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.557 ' N ' ' HG2' ' B' ' 29' ' ' LYS . 41.0 t -77.41 -38.61 49.34 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.164 -0.96 . . . . 0.0 109.936 -179.514 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.507 ' O ' ' HG2' ' B' ' 34' ' ' GLU . 9.9 tt0 -78.68 -17.92 55.17 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.021 -1.049 . . . . 0.0 108.684 179.763 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.691 HD13 ' HB2' ' B' ' 73' ' ' PHE . 50.8 tp -81.07 -46.8 14.44 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 107.724 -1.213 . . . . 0.0 107.724 178.615 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.454 ' CG ' HD13 ' B' ' 60' ' ' LEU . 0.1 OUTLIER -54.81 -42.94 72.46 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 178.828 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.557 ' HG3' ' N ' ' B' ' 35' ' ' LEU . 8.6 pt-20 -71.06 -41.81 70.26 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 179.127 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.557 ' N ' ' HG3' ' B' ' 34' ' ' GLU . 0.2 OUTLIER -46.4 -42.64 15.39 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 179.412 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.962 ' CG2' HG21 ' B' ' 80' ' ' VAL . 0.6 OUTLIER -79.74 -61.22 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.351 -0.843 . . . . 0.0 109.816 -179.845 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.47 ' O ' ' HB2' ' B' ' 41' ' ' SER . 34.0 t-20 -67.44 -63.97 0.95 Allowed 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.241 -0.912 . . . . 0.0 109.956 -179.336 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.494 ' HB3' ' O ' ' B' ' 34' ' ' GLU . 10.8 t30 -41.6 -51.35 4.0 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.238 -0.914 . . . . 0.0 110.56 -179.381 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.514 ' HB3' ' HB3' ' A' ' 3' ' ' LEU . 4.0 mm-40 -81.35 -83.38 0.12 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.996 -1.065 . . . . 0.0 110.794 -178.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.616 ' HG ' HD23 ' A' ' 3' ' ' LEU . 20.8 mt -46.67 -87.94 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.956 -1.09 . . . . 0.0 110.079 -179.145 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.47 ' HB2' ' O ' ' B' ' 37' ' ' ASN . 0.4 OUTLIER 44.41 58.66 3.69 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.061 -1.024 . . . . 0.0 109.565 -179.809 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -141.03 -66.83 0.42 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.222 -0.923 . . . . 0.0 109.531 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -62.92 -12.74 27.31 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.192 -0.943 . . . . 0.0 109.473 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.717 HD13 HD12 ' B' ' 47' ' ' ILE . 0.5 OUTLIER -62.72 88.27 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.336 -0.853 . . . . 0.0 109.794 -179.857 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -134.21 -58.19 0.85 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.337 -0.852 . . . . 0.0 109.109 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 46' ' ' GLU . . . . . 0.474 ' O ' ' O ' ' B' ' 47' ' ' ILE . 44.7 mt-10 -115.91 -36.94 4.0 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.474 -0.766 . . . . 0.0 108.985 179.653 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.717 HD12 HD13 ' B' ' 44' ' ' LEU . 0.0 OUTLIER 59.29 121.43 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.484 -0.76 . . . . 0.0 109.454 179.587 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.457 ' O ' ' HD2' ' B' ' 48' ' ' LYS . 2.8 tmmm? -103.41 -21.49 13.79 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.178 -0.951 . . . . 0.0 109.411 179.787 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.536 ' OE1' HG23 ' B' ' 52' ' ' VAL . 8.0 mm-40 -104.57 65.27 0.76 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.357 -0.84 . . . . 0.0 109.152 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 50' ' ' GLN . . . . . 0.536 ' O ' ' CB ' ' B' ' 54' ' ' ASP . 0.1 OUTLIER -52.24 -22.02 3.99 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.213 -0.929 . . . . 0.0 109.456 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.461 ' O ' ' HB2' ' B' ' 55' ' ' LYS . 0.0 OUTLIER -79.85 -37.36 35.12 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.183 -0.948 . . . . 0.0 109.666 -179.822 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.666 HG13 ' HB3' ' B' ' 79' ' ' MET . 88.2 t -67.91 -47.55 78.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.109 -0.994 . . . . 0.0 109.528 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.585 HG21 HD11 ' B' ' 47' ' ' ILE . 94.9 t -74.17 -35.09 39.77 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 O-C-N 121.167 -0.958 . . . . 0.0 109.209 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 54' ' ' ASP . . . . . 0.536 ' CB ' ' O ' ' B' ' 50' ' ' GLN . 34.5 t70 -75.05 -17.27 60.52 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.266 -0.896 . . . . 0.0 108.911 179.374 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 55' ' ' LYS . . . . . 0.461 ' HB2' ' O ' ' B' ' 51' ' ' GLU . 4.0 mtpt -79.63 -48.71 13.28 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.233 -0.917 . . . . 0.0 109.42 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.772 HG12 ' CE2' ' B' ' 76' ' ' PHE . 3.0 m -72.85 -36.03 50.97 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 121.095 -1.003 . . . . 0.0 109.127 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 48.4 tpp -72.47 -26.26 61.74 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 179.649 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 58' ' ' GLU . . . . . 0.464 ' HB2' ' O ' ' B' ' 54' ' ' ASP . 3.5 mt-10 -74.73 -49.92 19.34 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.241 -0.912 . . . . 0.0 108.773 179.389 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 3.9 m -65.08 -25.95 68.02 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.145 -1.058 . . . . 0.0 108.145 179.139 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.766 HD22 ' O ' ' B' ' 29' ' ' LYS . 10.6 mt -68.08 -53.62 24.2 Favored 'General case' 0 C--N 1.303 -1.43 0 CA-C-O 121.482 0.658 . . . . 0.0 109.289 179.439 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.92 -7.42 58.75 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.636 -0.665 . . . . 0.0 109.837 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' B' ' 58' ' ' GLU . 30.8 tt0 -80.67 -44.71 18.36 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.201 -0.937 . . . . 0.0 109.609 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.43 -73.23 0.39 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.4 -0.813 . . . . 0.0 109.564 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 64' ' ' GLY . . . . . 0.457 ' HA2' ' HG3' ' B' ' 29' ' ' LYS . . . 63.32 11.2 39.03 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.814 -1.314 . . . . 0.0 109.814 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.595 ' N ' ' HD2' ' B' ' 29' ' ' LYS . 10.4 t0 -144.55 -29.51 0.47 Allowed 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.181 -1.187 . . . . 0.0 110.618 -179.403 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 66' ' ' GLY . . . . . 0.483 ' O ' ' HD3' ' B' ' 29' ' ' LYS . . . -89.1 168.56 35.5 Favored Glycine 0 N--CA 1.487 2.045 0 C-N-CA 119.769 -1.205 . . . . 0.0 110.732 -178.673 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.519 ' HA ' ' HA ' ' B' ' 28' ' ' LYS . 9.4 pt-20 -101.15 168.56 9.5 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.562 -0.964 . . . . 0.0 110.046 -179.56 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 34.3 m -113.49 164.83 13.12 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.394 -0.816 . . . . 0.0 109.23 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -97.66 179.34 4.86 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.257 -0.902 . . . . 0.0 109.244 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.61 -33.95 35.47 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.231 -0.918 . . . . 0.0 108.583 179.417 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.464 ' HG2' ' HB ' ' A' ' 82' ' ' THR . 11.4 mt-30 -79.73 -27.25 40.62 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.317 -0.865 . . . . 0.0 108.687 179.154 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.35 -53.79 8.95 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.333 -0.854 . . . . 0.0 108.849 179.49 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.691 ' HB2' HD13 ' B' ' 32' ' ' LEU . 0.0 OUTLIER -63.14 -24.34 67.85 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 179.363 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.54 ' HE3' HD22 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -71.97 -50.31 29.93 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.58 -0.7 . . . . 0.0 109.46 -179.896 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.527 ' O ' ' CG ' ' B' ' 79' ' ' MET . . . -72.2 -16.7 61.95 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.133 -0.98 . . . . 0.0 109.002 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.772 ' CE2' HG12 ' B' ' 56' ' ' VAL . 1.0 OUTLIER -79.23 -34.06 43.13 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.443 -0.786 . . . . 0.0 109.298 179.757 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.743 HG12 ' HE2' ' A' ' 7' ' ' MET . 76.6 t -72.45 -26.2 23.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.383 -0.823 . . . . 0.0 109.405 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 78' ' ' SER . . . . . 0.484 ' HB3' ' HB3' ' A' ' 74' ' ' MET . 0.8 OUTLIER -77.37 -46.71 21.95 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.317 -0.865 . . . . 0.0 110.389 -179.312 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 79' ' ' MET . . . . . 0.666 ' HB3' HG13 ' B' ' 52' ' ' VAL . 0.0 OUTLIER -54.47 -52.73 60.95 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.106 -0.996 . . . . 0.0 109.389 -179.411 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.962 HG21 ' CG2' ' B' ' 36' ' ' ILE . 17.0 m -65.23 -44.02 95.21 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 O-C-N 121.358 -0.839 . . . . 0.0 110.623 -179.099 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.531 HG21 ' HG3' ' A' ' 7' ' ' MET . 13.5 m -70.23 -4.25 20.84 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.93 -1.106 . . . . 0.0 109.98 -179.363 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.465 ' HB ' ' HG2' ' A' ' 71' ' ' GLN . 59.6 p -128.15 9.2 6.2 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.952 -1.093 . . . . 0.0 109.716 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.47 ' CB ' HG23 ' B' ' 53' ' ' VAL . . . . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.167 -0.958 . . . . 0.0 109.151 179.683 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 1' ' ' SER . . . . . 0.492 ' CB ' ' CD ' ' B' ' 39' ' ' GLU . 1.4 t . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.229 0.538 . . . . 0.0 109.584 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.919 ' HB3' HG22 ' B' ' 13' ' ' VAL . 2.4 tp10 -80.15 -37.14 34.03 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.34 -0.85 . . . . 0.0 109.465 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 1.055 HD22 HD12 ' B' ' 35' ' ' LEU . 16.8 tp -77.93 -51.17 10.83 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.361 -0.837 . . . . 0.0 109.708 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.62 ' HG3' HG21 ' A' ' 8' ' ' VAL . 25.5 tt0 -53.18 -51.06 63.28 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.359 -0.838 . . . . 0.0 110.096 -179.412 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.856 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -57.45 -35.0 69.56 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.116 -0.99 . . . . 0.0 110.568 -178.951 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.73 -71.06 0.48 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.001 -1.062 . . . . 0.0 110.395 -179.066 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' MET . . . . . 1.103 ' HE3' HG12 ' B' ' 77' ' ' VAL . 31.9 tpp -49.8 -53.67 23.9 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.273 -0.892 . . . . 0.0 109.675 -179.402 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.62 HG21 ' HG3' ' A' ' 4' ' ' GLU . 4.5 t -61.96 -28.17 43.82 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.535 0 O-C-N 121.442 -0.786 . . . . 0.0 109.802 -179.448 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.856 ' HB2' ' O ' ' A' ' 5' ' ' LYS . . . -66.24 -43.62 86.05 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.018 -1.051 . . . . 0.0 109.128 179.601 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.991 HD22 ' CE ' ' A' ' 74' ' ' MET . 0.2 OUTLIER -51.55 -43.93 62.51 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.251 -0.906 . . . . 0.0 108.731 179.719 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.603 HG12 ' CZ ' ' A' ' 70' ' ' PHE . 96.7 mt -53.07 -42.0 43.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.247 -0.908 . . . . 0.0 108.773 179.216 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 13' ' ' VAL . 11.9 t70 -54.52 -55.72 26.21 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.319 -0.863 . . . . 0.0 109.483 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.917 HG22 ' HB3' ' B' ' 2' ' ' GLU . 28.3 t -43.17 -32.45 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.435 -0.79 . . . . 0.0 109.484 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.503 ' CZ ' HD23 ' A' ' 27' ' ' LEU . 1.1 t80 -63.74 -69.41 0.28 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.18 -0.95 . . . . 0.0 109.896 -179.523 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 4.1 t-160 -45.87 -24.51 0.4 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.138 -0.976 . . . . 0.0 109.891 -179.526 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.32 -52.52 12.0 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.112 -0.992 . . . . 0.0 109.73 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.685 ' CG ' HD21 ' A' ' 35' ' ' LEU . 27.2 m-85 -91.14 19.88 5.46 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.254 -0.904 . . . . 0.0 109.835 -179.619 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.4 t . . . . . 0 N--CA 1.491 1.575 0 O-C-N 121.06 -1.025 . . . . 0.0 109.355 179.981 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.406 ' C ' ' HG2' ' A' ' 26' ' ' LYS . 47.4 m80 . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.406 ' HG2' ' C ' ' A' ' 25' ' ' HIS . 1.9 mmmm -142.81 138.25 30.23 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.308 -0.87 . . . . 0.0 109.171 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.525 ' CD1' ' HB3' ' A' ' 31' ' ' GLU . 0.3 OUTLIER -94.5 -157.14 0.54 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.25 -0.906 . . . . 0.0 109.427 -179.916 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.549 ' HA ' ' HA ' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -150.39 167.57 26.68 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.547 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.561 ' HB3' ' O ' ' A' ' 64' ' ' GLY . 0.0 OUTLIER -76.16 -31.45 58.56 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.911 -1.118 . . . . 0.0 108.487 179.394 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.534 ' N ' ' HD2' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -79.11 -27.69 42.93 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.485 -0.759 . . . . 0.0 109.604 179.916 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.525 ' HB3' ' CD1' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -89.82 -22.09 22.26 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 179.393 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.874 HD13 ' HD2' ' A' ' 73' ' ' PHE . 2.6 tp -81.7 -37.61 27.09 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 178.783 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.436 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 8.4 tttt -65.41 -32.84 74.69 Favored 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 179.423 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.556 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 7.6 pt-20 -80.55 -39.03 28.49 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 179.303 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 1.07 HD12 HD22 ' B' ' 3' ' ' LEU . 0.1 OUTLIER -49.77 -51.68 37.46 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 179.419 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 1.019 HG21 HG21 ' A' ' 80' ' ' VAL . 0.1 OUTLIER -80.07 -52.46 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 CA-C-O 121.921 0.867 . . . . 0.0 109.597 -179.892 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -65.55 -1.19 2.42 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.228 -0.92 . . . . 0.0 111.461 -179.051 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.556 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 18.1 t30 -100.09 -43.92 6.17 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.712 -1.242 . . . . 0.0 109.302 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.565 ' CG ' ' HB2' ' B' ' 4' ' ' GLU . 42.9 tp10 -117.21 -36.66 3.71 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.314 -0.866 . . . . 0.0 109.381 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.783 ' CD2' HD23 ' B' ' 3' ' ' LEU . 0.2 OUTLIER -74.15 -19.59 60.51 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.441 -0.787 . . . . 0.0 109.919 -179.785 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.581 ' O ' HD13 ' A' ' 44' ' ' LEU . 0.2 OUTLIER -70.47 -9.47 56.62 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.373 -0.83 . . . . 0.0 109.865 -179.558 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -86.65 17.01 4.17 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.089 -1.007 . . . . 0.0 109.556 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.828 ' C ' HD12 ' A' ' 44' ' ' LEU . 38.4 m-85 -131.92 67.05 1.53 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.214 -0.929 . . . . 0.0 109.344 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.828 HD12 ' C ' ' A' ' 43' ' ' PHE . 5.8 mp -142.86 -122.91 0.09 Allowed 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.273 -0.892 . . . . 0.0 109.443 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.54 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 4.9 mt-10 68.49 6.79 5.61 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.874 -1.141 . . . . 0.0 109.308 -179.637 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.54 ' CG ' ' O ' ' A' ' 45' ' ' GLU . 13.8 mt-10 -164.8 29.67 0.06 Allowed 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.421 ' C ' ' O ' ' A' ' 46' ' ' GLU . 62.3 mt -42.06 125.19 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.456 -0.778 . . . . 0.0 110.007 -179.51 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -117.47 -46.4 2.68 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.416 -0.802 . . . . 0.0 109.266 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.884 ' OE1' HG23 ' A' ' 52' ' ' VAL . 12.7 mm-40 -77.25 80.4 3.76 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.143 -0.973 . . . . 0.0 108.998 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.485 ' O ' ' HB2' ' A' ' 54' ' ' ASP . 29.1 tt0 -64.28 -28.19 69.55 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.386 -0.821 . . . . 0.0 109.843 -179.656 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.74 -34.41 52.57 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.067 -1.021 . . . . 0.0 110.297 -179.25 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.884 HG23 ' OE1' ' A' ' 49' ' ' GLU . 90.6 t -71.69 -46.08 63.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.099 -1.0 . . . . 0.0 110.053 -179.475 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.467 ' O ' ' CB ' ' A' ' 57' ' ' MET . 97.0 t -77.53 -30.21 16.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.475 0 O-C-N 121.12 -0.988 . . . . 0.0 109.705 -179.698 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.524 ' O ' ' HB2' ' A' ' 58' ' ' GLU . 2.0 m-20 -80.94 -18.12 48.16 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.093 -1.005 . . . . 0.0 109.018 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -79.7 -44.59 20.54 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.025 -1.047 . . . . 0.0 109.388 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.891 HG12 ' CE2' ' A' ' 76' ' ' PHE . 3.2 m -80.25 -33.44 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 O-C-N 121.017 -1.052 . . . . 0.0 108.709 179.311 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.467 ' CB ' ' O ' ' A' ' 53' ' ' VAL . 0.1 OUTLIER -75.16 -22.27 58.2 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.724 -0.61 . . . . 0.0 109.545 179.832 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.524 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 4.4 mt-10 -80.03 -45.37 18.47 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.933 -1.104 . . . . 0.0 109.429 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 93.4 m -68.05 -27.54 66.6 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 179.055 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.7 mt -70.55 -61.99 1.56 Allowed 'General case' 0 C--N 1.304 -1.412 0 CA-C-O 121.504 0.668 . . . . 0.0 109.484 179.585 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.98 -7.57 54.01 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.815 -0.553 . . . . 0.0 110.307 -179.42 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' A' ' 58' ' ' GLU . 0.2 OUTLIER -72.91 -58.77 3.09 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.068 -1.02 . . . . 0.0 108.788 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.477 ' HB2' ' O ' ' A' ' 62' ' ' GLU . 27.6 t70 175.61 64.99 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.498 0 C-N-CA 119.926 -0.71 . . . . 0.0 109.474 179.653 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.595 ' O ' ' N ' ' A' ' 66' ' ' GLY . . . -91.18 19.97 43.21 Favored Glycine 0 N--CA 1.488 2.121 0 N-CA-C 108.853 -1.699 . . . . 0.0 108.853 179.446 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.528 ' N ' ' HE2' ' A' ' 29' ' ' LYS . 12.0 t70 -34.91 -25.18 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.919 -0.754 . . . . 0.0 111.174 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.595 ' N ' ' O ' ' A' ' 64' ' ' GLY . . . -86.43 171.16 43.46 Favored Glycine 0 N--CA 1.484 1.877 0 N-CA-C 109.351 -1.5 . . . . 0.0 109.351 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.549 ' HA ' ' HA ' ' A' ' 28' ' ' LYS . 14.6 mt-10 -76.06 157.84 32.51 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.543 -0.975 . . . . 0.0 110.745 -178.604 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.449 ' HB3' ' CG ' ' A' ' 72' ' ' GLU . 39.9 m -111.26 168.49 9.48 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 179.651 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -99.83 175.88 5.63 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.896 -1.127 . . . . 0.0 109.369 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.603 ' CZ ' HG12 ' A' ' 11' ' ' ILE . 11.0 t80 -75.3 -28.42 59.72 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.215 -0.928 . . . . 0.0 109.569 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.1 -30.99 55.6 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.324 -0.86 . . . . 0.0 110.207 -179.543 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.553 ' HG3' ' N ' ' A' ' 73' ' ' PHE . 1.4 pt-20 -76.93 -44.71 30.51 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 120.851 -1.156 . . . . 0.0 108.589 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.874 ' HD2' HD13 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -68.87 -21.46 64.26 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 178.836 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.991 ' CE ' HD22 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -76.03 -53.71 7.94 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.569 -0.707 . . . . 0.0 109.28 -179.895 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.526 ' O ' ' HG3' ' A' ' 79' ' ' MET . . . -71.56 -19.02 62.21 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.366 -0.834 . . . . 0.0 108.983 179.749 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.891 ' CE2' HG12 ' A' ' 56' ' ' VAL . 2.9 m-85 -80.42 -33.4 36.99 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.348 -0.845 . . . . 0.0 109.983 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 1.058 HG12 ' HE3' ' B' ' 7' ' ' MET . 77.0 t -76.71 -28.93 17.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 120.955 -1.091 . . . . 0.0 109.773 -179.537 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.572 ' HA ' ' HE1' ' B' ' 7' ' ' MET . 56.7 m -79.03 -34.51 43.84 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.138 -0.976 . . . . 0.0 110.009 -179.665 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.607 ' HB3' HG13 ' A' ' 52' ' ' VAL . 2.4 mmm -64.17 -45.66 87.44 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.154 -0.966 . . . . 0.0 109.95 -179.645 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 1.019 HG21 HG21 ' A' ' 36' ' ' ILE . 16.3 m -72.19 -42.24 66.69 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 O-C-N 121.179 -0.951 . . . . 0.0 110.57 -179.142 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.921 HG21 ' CG ' ' B' ' 7' ' ' MET . 5.8 m -62.32 -12.48 21.15 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.954 -1.091 . . . . 0.0 109.985 -179.481 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 69.9 p -114.4 -8.52 12.83 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.075 -1.016 . . . . 0.0 109.493 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.606 ' HB1' ' HB2' ' A' ' 49' ' ' GLU . . . . . . . . 0 N--CA 1.489 1.511 0 O-C-N 121.31 -0.869 . . . . 0.0 109.601 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 1' ' ' SER . . . . . 0.438 ' CB ' ' CD ' ' A' ' 39' ' ' GLU . 1.4 t . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.295 0.569 . . . . 0.0 109.537 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.917 ' HB3' HG22 ' A' ' 13' ' ' VAL . 2.4 tp10 -80.2 -37.11 33.86 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.264 -0.897 . . . . 0.0 109.548 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 1.07 HD22 HD12 ' A' ' 35' ' ' LEU . 16.7 tp -77.97 -51.2 10.75 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.416 -0.802 . . . . 0.0 109.653 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 4' ' ' GLU . . . . . 0.602 ' HG3' HG21 ' B' ' 8' ' ' VAL . 25.4 tt0 -53.1 -51.08 63.01 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.403 -0.811 . . . . 0.0 110.125 -179.487 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.856 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 0.0 OUTLIER -57.58 -34.96 69.76 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.124 -0.985 . . . . 0.0 110.561 -178.865 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.401 ' HB1' ' N ' ' A' ' 10' ' ' LEU . . . -80.69 -71.04 0.48 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.103 -0.998 . . . . 0.0 110.463 -179.228 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 7' ' ' MET . . . . . 1.058 ' HE3' HG12 ' A' ' 77' ' ' VAL . 31.9 tpp -49.76 -53.79 22.93 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.312 -0.867 . . . . 0.0 109.608 -179.399 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.602 HG21 ' HG3' ' B' ' 4' ' ' GLU . 4.5 t -61.94 -28.12 43.69 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.51 0 O-C-N 121.485 -0.76 . . . . 0.0 109.82 -179.372 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.856 ' HB2' ' O ' ' B' ' 5' ' ' LYS . . . -66.24 -43.58 86.18 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.034 -1.041 . . . . 0.0 109.12 179.579 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.994 HD22 ' CE ' ' B' ' 74' ' ' MET . 0.2 OUTLIER -51.6 -43.88 62.65 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.229 -0.919 . . . . 0.0 108.687 179.759 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.602 HG12 ' CZ ' ' B' ' 70' ' ' PHE . 96.7 mt -53.13 -42.05 44.39 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.317 -0.864 . . . . 0.0 108.754 179.246 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' B' ' 13' ' ' VAL . 11.9 t70 -54.49 -55.58 27.58 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.432 -0.793 . . . . 0.0 109.483 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 13' ' ' VAL . . . . . 0.919 HG22 ' HB3' ' A' ' 2' ' ' GLU . 28.1 t -43.29 -32.46 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 121.559 -0.713 . . . . 0.0 109.469 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.5 ' CZ ' HD23 ' B' ' 27' ' ' LEU . 1.1 t80 -63.71 -69.35 0.28 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.354 -0.841 . . . . 0.0 109.922 -179.558 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 4.1 t-160 -45.91 -24.42 0.4 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.144 -0.973 . . . . 0.0 109.914 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.53 -52.34 12.15 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.138 -0.976 . . . . 0.0 109.751 -179.74 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.685 ' CG ' HD21 ' B' ' 35' ' ' LEU . 26.9 m-85 -91.2 19.88 5.52 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.233 -0.917 . . . . 0.0 109.811 -179.678 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 5.3 t . . . . . 0 N--CA 1.491 1.593 0 O-C-N 121.132 -0.98 . . . . 0.0 109.383 179.971 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 25' ' ' HIS . . . . . 0.416 ' C ' ' HG2' ' B' ' 26' ' ' LYS . 47.1 m80 . . . . . 0 N--CA 1.492 1.672 0 CA-C-O 121.317 0.579 . . . . 0.0 109.45 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.416 ' HG2' ' C ' ' B' ' 25' ' ' HIS . 1.9 mmmm -142.78 138.19 30.25 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.244 -0.91 . . . . 0.0 109.148 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.521 HD22 ' HA ' ' B' ' 27' ' ' LEU . 0.3 OUTLIER -94.55 -157.16 0.54 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.283 -0.885 . . . . 0.0 109.487 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.555 ' HA ' ' HA ' ' B' ' 67' ' ' GLU . 0.0 OUTLIER -150.3 167.69 26.24 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 179.545 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.562 ' HB3' ' O ' ' B' ' 64' ' ' GLY . 0.0 OUTLIER -76.17 -31.59 58.6 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.963 -1.086 . . . . 0.0 108.426 179.399 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.528 ' N ' ' HD2' ' B' ' 29' ' ' LYS . 0.3 OUTLIER -79.03 -27.77 43.23 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.39 -0.819 . . . . 0.0 109.573 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.521 ' HB3' ' CD1' ' B' ' 27' ' ' LEU . 0.8 OUTLIER -89.78 -22.09 22.32 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 179.396 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.869 HD13 ' HD2' ' B' ' 73' ' ' PHE . 2.6 tp -81.73 -37.68 26.93 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 178.736 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.444 ' HB2' ' O ' ' B' ' 29' ' ' LYS . 8.4 tttt -65.37 -32.84 74.69 Favored 'General case' 0 N--CA 1.486 1.353 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 179.395 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.553 ' O ' ' CB ' ' B' ' 38' ' ' ASN . 7.5 pt-20 -80.6 -39.02 28.29 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 179.299 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 1.055 HD12 HD22 ' A' ' 3' ' ' LEU . 0.1 OUTLIER -49.81 -51.7 37.7 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.457 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.989 HG21 HG21 ' B' ' 80' ' ' VAL . 0.1 OUTLIER -79.99 -52.49 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 CA-C-O 121.888 0.851 . . . . 0.0 109.578 -179.906 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -65.51 -1.35 2.51 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.246 -0.909 . . . . 0.0 111.431 -179.035 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.553 ' CB ' ' O ' ' B' ' 34' ' ' GLU . 18.2 t30 -99.96 -43.9 6.22 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.68 -1.263 . . . . 0.0 109.372 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.542 ' CG ' ' HB2' ' A' ' 4' ' ' GLU . 43.0 tp10 -117.26 -36.63 3.71 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.37 -0.831 . . . . 0.0 109.343 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.833 ' CD2' HD23 ' A' ' 3' ' ' LEU . 0.2 OUTLIER -74.22 -19.64 60.45 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.366 -0.834 . . . . 0.0 109.788 -179.672 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.58 ' O ' HD13 ' B' ' 44' ' ' LEU . 0.2 OUTLIER -70.44 -9.5 56.62 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.255 -0.903 . . . . 0.0 109.921 -179.566 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -86.55 16.82 4.27 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.052 -1.03 . . . . 0.0 109.532 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' PHE . . . . . 0.812 ' C ' HD12 ' B' ' 44' ' ' LEU . 38.5 m-85 -131.86 67.19 1.53 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.314 -0.866 . . . . 0.0 109.339 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.812 HD12 ' C ' ' B' ' 43' ' ' PHE . 5.8 mp -142.89 -122.99 0.09 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.347 -0.846 . . . . 0.0 109.458 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.538 ' O ' ' CG ' ' B' ' 46' ' ' GLU . 4.9 mt-10 68.51 6.73 5.58 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.783 -1.198 . . . . 0.0 109.322 -179.604 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 46' ' ' GLU . . . . . 0.538 ' CG ' ' O ' ' B' ' 45' ' ' GLU . 13.7 mt-10 -164.68 29.56 0.07 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.38 -0.825 . . . . 0.0 108.801 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' B' ' 46' ' ' GLU . 61.9 mt -41.88 125.12 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.475 -0.765 . . . . 0.0 110.01 -179.566 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -117.47 -46.29 2.68 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.362 -0.836 . . . . 0.0 109.317 179.69 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.886 ' OE1' HG23 ' B' ' 52' ' ' VAL . 12.6 mm-40 -77.29 80.38 3.79 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.159 -0.963 . . . . 0.0 109.004 179.6 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 50' ' ' GLN . . . . . 0.495 ' O ' ' HB2' ' B' ' 54' ' ' ASP . 29.0 tt0 -64.38 -28.0 69.39 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.368 -0.833 . . . . 0.0 109.87 -179.616 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.74 -34.36 52.58 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.12 -0.988 . . . . 0.0 110.314 -179.361 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.886 HG23 ' OE1' ' B' ' 49' ' ' GLU . 91.0 t -71.8 -46.0 63.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.078 -1.014 . . . . 0.0 110.023 -179.446 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.476 ' O ' ' HB2' ' B' ' 57' ' ' MET . 96.4 t -77.66 -30.16 16.64 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.065 -1.022 . . . . 0.0 109.645 -179.638 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 54' ' ' ASP . . . . . 0.528 ' O ' ' HB2' ' B' ' 58' ' ' GLU . 2.0 m-20 -80.94 -18.07 48.35 Favored 'General case' 0 C--N 1.303 -1.446 0 C-N-CA 119.232 -0.987 . . . . 0.0 108.988 179.599 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -79.76 -44.6 20.39 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.065 -1.022 . . . . 0.0 109.337 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.888 HG12 ' CE2' ' B' ' 76' ' ' PHE . 3.2 m -80.28 -33.38 14.08 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.357 0 O-C-N 120.979 -1.076 . . . . 0.0 108.69 179.378 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.476 ' HB2' ' O ' ' B' ' 53' ' ' VAL . 0.1 OUTLIER -75.18 -22.21 58.18 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.81 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 58' ' ' GLU . . . . . 0.528 ' HB2' ' O ' ' B' ' 54' ' ' ASP . 4.4 mt-10 -80.06 -45.44 18.29 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.942 -1.098 . . . . 0.0 109.317 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 92.8 m -68.17 -27.37 66.35 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 179.136 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 12.6 mt -70.64 -61.96 1.57 Allowed 'General case' 0 C--N 1.302 -1.497 0 CA-C-O 121.492 0.663 . . . . 0.0 109.458 179.544 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.1 -7.47 53.83 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.869 -0.519 . . . . 0.0 110.253 -179.395 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.511 ' CB ' ' O ' ' B' ' 58' ' ' GLU . 0.2 OUTLIER -72.94 -58.78 3.08 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.004 -1.06 . . . . 0.0 108.681 179.931 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.478 ' HB2' ' O ' ' B' ' 62' ' ' GLU . 27.7 t70 175.62 65.01 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.519 0 C-N-CA 119.976 -0.69 . . . . 0.0 109.494 179.682 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 64' ' ' GLY . . . . . 0.584 ' O ' ' N ' ' B' ' 66' ' ' GLY . . . -91.13 20.0 42.88 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 108.903 -1.679 . . . . 0.0 108.903 179.372 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.519 ' N ' ' HE2' ' B' ' 29' ' ' LYS . 12.0 t70 -34.97 -25.09 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.95 -0.735 . . . . 0.0 111.258 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 66' ' ' GLY . . . . . 0.584 ' N ' ' O ' ' B' ' 64' ' ' GLY . . . -86.47 171.2 43.42 Favored Glycine 0 N--CA 1.483 1.83 0 N-CA-C 109.403 -1.479 . . . . 0.0 109.403 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.555 ' HA ' ' HA ' ' B' ' 28' ' ' LYS . 14.7 mt-10 -76.03 157.75 32.65 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.598 -0.943 . . . . 0.0 110.733 -178.601 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.446 ' HB3' ' CG ' ' B' ' 72' ' ' GLU . 39.6 m -111.23 168.54 9.43 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.698 -0.852 . . . . 0.0 108.698 179.594 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -99.74 175.87 5.65 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.819 -1.176 . . . . 0.0 109.349 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.602 ' CZ ' HG12 ' B' ' 11' ' ' ILE . 11.0 t80 -75.26 -28.36 59.78 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.313 -0.867 . . . . 0.0 109.597 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.14 -31.04 55.35 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.228 -0.92 . . . . 0.0 110.21 -179.557 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.566 ' HG3' ' N ' ' B' ' 73' ' ' PHE . 1.4 pt-20 -77.04 -44.59 30.22 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 120.935 -1.103 . . . . 0.0 108.452 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.869 ' HD2' HD13 ' B' ' 32' ' ' LEU . 0.1 OUTLIER -69.05 -21.39 64.1 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 178.914 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.994 ' CE ' HD22 ' B' ' 10' ' ' LEU . 0.1 OUTLIER -76.01 -53.65 8.04 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.627 -0.671 . . . . 0.0 109.374 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.51 ' O ' ' HG3' ' B' ' 79' ' ' MET . . . -71.66 -18.94 62.15 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.286 -0.884 . . . . 0.0 108.976 179.721 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.888 ' CE2' HG12 ' B' ' 56' ' ' VAL . 2.9 m-85 -80.46 -33.37 36.77 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.435 -0.791 . . . . 0.0 110.026 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 1.103 HG12 ' HE3' ' A' ' 7' ' ' MET . 77.5 t -76.61 -29.19 18.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.1 -1.0 . . . . 0.0 109.765 -179.594 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 78' ' ' SER . . . . . 0.699 ' HA ' ' HE1' ' A' ' 7' ' ' MET . 55.1 m -78.87 -34.48 44.89 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.191 -0.943 . . . . 0.0 110.091 -179.626 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 79' ' ' MET . . . . . 0.598 ' HB3' HG13 ' B' ' 52' ' ' VAL . 2.4 mmm -64.17 -45.59 87.73 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 121.032 -1.043 . . . . 0.0 110.01 -179.737 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.989 HG21 HG21 ' B' ' 36' ' ' ILE . 16.2 m -72.37 -42.16 65.13 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 O-C-N 121.268 -0.895 . . . . 0.0 110.572 -179.199 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.934 HG21 ' CG ' ' A' ' 7' ' ' MET . 5.8 m -62.26 -12.48 20.77 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.934 -1.104 . . . . 0.0 109.962 -179.544 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 69.0 p -114.41 -8.48 12.83 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.074 -1.016 . . . . 0.0 109.55 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.619 ' HB1' ' HB2' ' B' ' 49' ' ' GLU . . . . . . . . 0 N--CA 1.49 1.536 0 O-C-N 121.312 -0.867 . . . . 0.0 109.537 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 121.363 0.601 . . . . 0.0 109.645 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.761 ' HB3' HG22 ' B' ' 13' ' ' VAL . 0.0 OUTLIER -73.42 -57.01 4.31 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.29 -0.881 . . . . 0.0 109.444 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.871 HD22 HD12 ' B' ' 35' ' ' LEU . 9.0 tp -61.8 -38.08 86.76 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.305 -0.872 . . . . 0.0 109.726 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.55 ' HA ' ' CD2' ' B' ' 40' ' ' LEU . 1.2 tt0 -62.46 -53.61 52.36 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.12 -0.988 . . . . 0.0 110.198 -179.333 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.433 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 5.9 mttm -62.01 -36.61 82.05 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.855 -1.153 . . . . 0.0 110.7 -179.113 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.52 ' HB1' ' HB3' ' B' ' 9' ' ' ALA . . . -80.32 -70.43 0.52 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.064 -1.022 . . . . 0.0 110.453 -179.181 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' MET . . . . . 1.045 ' HE2' HG12 ' B' ' 77' ' ' VAL . 0.2 OUTLIER -45.99 -53.81 9.42 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.381 -0.824 . . . . 0.0 109.874 -179.389 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 4' ' ' GLU . 33.0 t -56.9 -36.71 51.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 C-N-CA 119.527 -0.869 . . . . 0.0 109.088 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.528 ' HB3' ' HB1' ' B' ' 6' ' ' ALA . . . -52.05 -43.06 63.61 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 179.092 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.56 HD22 ' SD ' ' A' ' 74' ' ' MET . 0.2 OUTLIER -51.82 -51.84 53.59 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 179.122 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.6 mp -49.59 -39.94 14.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 179.137 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -50.57 -51.13 51.03 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.353 -0.842 . . . . 0.0 109.239 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.75 HG22 ' HB3' ' B' ' 2' ' ' GLU . 43.9 t -55.0 -35.08 33.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.531 -0.73 . . . . 0.0 109.447 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.679 ' CE1' HD23 ' A' ' 27' ' ' LEU . 19.2 t80 -63.42 -37.74 88.46 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.218 -0.926 . . . . 0.0 109.649 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 20.6 t-80 -75.6 -12.42 60.21 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.149 -0.969 . . . . 0.0 109.583 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 38.8 tp60 -86.96 -53.46 4.87 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.274 -0.891 . . . . 0.0 109.411 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.725 ' CD1' HD21 ' A' ' 35' ' ' LEU . 78.9 m-85 -76.27 -25.45 54.93 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.218 -0.927 . . . . 0.0 109.907 -179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.646 0 O-C-N 121.087 -1.008 . . . . 0.0 109.495 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.551 ' CE1' ' HE1' ' A' ' 70' ' ' PHE . 56.5 t-80 . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.786 ' O ' HD22 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -145.29 160.69 41.12 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.062 -1.024 . . . . 0.0 109.98 -179.904 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.786 HD22 ' O ' ' A' ' 26' ' ' LYS . 0.6 OUTLIER -140.94 -161.11 1.16 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.414 -0.804 . . . . 0.0 109.058 179.922 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.24 163.37 37.84 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.189 -0.944 . . . . 0.0 109.623 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.49 ' HG3' ' HB3' ' A' ' 63' ' ' ASP . 19.4 mmtp -73.92 -27.01 60.82 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.379 -0.826 . . . . 0.0 109.429 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.59 -43.38 20.68 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.303 -0.873 . . . . 0.0 109.459 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.507 ' O ' ' HB2' ' A' ' 35' ' ' LEU . 2.5 tt0 -73.72 -25.07 60.02 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.236 -0.915 . . . . 0.0 108.592 179.586 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.485 ' O ' HG13 ' A' ' 36' ' ' ILE . 34.1 tp -77.65 -47.6 18.86 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 179.431 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.56 ' HB2' HD22 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -57.97 -43.08 86.29 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 179.16 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.583 ' HG3' ' N ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -71.57 -31.69 67.25 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 179.599 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.882 HD12 HD22 ' B' ' 3' ' ' LEU . 0.1 OUTLIER -58.31 -37.12 74.44 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.586 -0.696 . . . . 0.0 109.282 179.447 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.599 HG21 HG21 ' A' ' 80' ' ' VAL . 0.8 OUTLIER -80.32 -57.1 5.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.354 -0.841 . . . . 0.0 110.489 -179.369 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.536 ' O ' ' CB ' ' A' ' 41' ' ' SER . 35.5 t-20 -66.22 -63.03 1.17 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.245 -0.91 . . . . 0.0 110.548 -178.681 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.537 ' CB ' ' OE1' ' A' ' 34' ' ' GLU . 41.8 t30 -49.48 -55.73 12.24 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.931 -1.106 . . . . 0.0 110.791 -178.581 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.629 ' HG3' HD13 ' A' ' 35' ' ' LEU . 6.4 mm-40 -70.64 -75.27 0.12 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.058 -1.026 . . . . 0.0 111.232 -178.54 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.696 ' HG ' HD23 ' B' ' 3' ' ' LEU . 10.3 mt -61.41 -98.23 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.313 0 O-C-N 120.944 -1.097 . . . . 0.0 110.288 -178.762 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.536 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 15.3 t 40.81 41.0 1.08 Allowed 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.142 -0.973 . . . . 0.0 109.79 -179.598 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -113.16 -21.68 10.89 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.157 -0.964 . . . . 0.0 109.658 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -129.31 30.82 4.93 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.212 -0.93 . . . . 0.0 109.452 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.665 HD21 HG12 ' A' ' 47' ' ' ILE . 0.7 OUTLIER -105.47 116.31 31.72 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.242 -0.912 . . . . 0.0 109.545 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.586 ' N ' HD13 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -143.5 -59.1 0.41 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.239 -0.913 . . . . 0.0 109.729 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.471 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 26.1 mt-10 -109.61 -23.1 11.64 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.256 -0.903 . . . . 0.0 109.539 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.665 HG12 HD21 ' A' ' 44' ' ' LEU . 72.3 mt 62.85 136.96 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.256 -0.903 . . . . 0.0 109.582 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.3 tttm -109.71 -66.56 1.05 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.318 -0.863 . . . . 0.0 109.049 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.74 ' OE1' HG23 ' A' ' 52' ' ' VAL . 11.0 mm-40 -67.56 86.19 0.19 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.34 -0.85 . . . . 0.0 109.044 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.535 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 14.9 tt0 -63.22 -25.24 68.24 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.237 -0.914 . . . . 0.0 109.487 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.46 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -80.47 -33.37 36.71 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.278 -0.889 . . . . 0.0 109.919 -179.849 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.75 ' O ' HG22 ' A' ' 56' ' ' VAL . 60.8 t -72.53 -47.37 51.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.249 -0.907 . . . . 0.0 109.807 -179.715 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.427 ' O ' ' CB ' ' A' ' 57' ' ' MET . 59.8 t -75.6 -26.26 18.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.162 -0.962 . . . . 0.0 109.236 -179.747 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.535 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 33.0 t70 -80.92 -24.97 37.84 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.403 -0.811 . . . . 0.0 109.371 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.569 ' HG3' ' N ' ' A' ' 56' ' ' VAL . 0.1 OUTLIER -77.55 -39.83 44.57 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 120.875 -1.14 . . . . 0.0 109.254 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.75 HG22 ' O ' ' A' ' 52' ' ' VAL . 2.9 m -81.04 -34.63 13.8 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 O-C-N 121.205 -0.935 . . . . 0.0 108.721 179.428 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.427 ' CB ' ' O ' ' A' ' 53' ' ' VAL . 2.3 ttm -75.3 -25.96 58.32 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 179.55 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.482 ' CG ' ' O ' ' A' ' 54' ' ' ASP . 72.2 mt-10 -80.08 -50.09 10.84 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.207 -0.933 . . . . 0.0 108.545 179.079 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.0 m -63.71 -29.55 70.76 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 178.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.56 HD22 ' HB2' ' A' ' 33' ' ' LYS . 9.8 mt -67.42 -56.29 10.24 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 179.439 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.49 -0.51 37.73 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.448 -0.783 . . . . 0.0 109.748 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.482 ' HB2' ' O ' ' A' ' 58' ' ' GLU . 74.4 tt0 -79.97 -37.4 34.45 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.163 -0.961 . . . . 0.0 109.674 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.49 ' HB3' ' HG3' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -106.42 -67.77 0.92 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.344 -0.848 . . . . 0.0 109.469 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.43 ' CA ' ' HB2' ' A' ' 29' ' ' LYS . . . 85.7 -54.74 4.82 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.679 -1.368 . . . . 0.0 109.679 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -100.26 23.21 10.38 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.164 -1.198 . . . . 0.0 109.625 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -95.69 161.7 23.0 Favored Glycine 0 N--CA 1.488 2.133 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -104.1 148.22 26.52 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.23 -1.159 . . . . 0.0 109.439 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.447 ' SG ' ' HD3' ' A' ' 29' ' ' LYS . 3.4 m -117.53 173.42 6.73 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.232 -0.918 . . . . 0.0 109.574 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -108.4 -177.91 3.45 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.261 -0.899 . . . . 0.0 109.129 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.615 ' CE2' ' HG3' ' A' ' 71' ' ' GLN . 36.5 p90 -79.96 -33.06 39.85 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.004 -1.06 . . . . 0.0 109.368 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.615 ' HG3' ' CE2' ' A' ' 70' ' ' PHE . 6.6 mt-30 -79.02 -23.85 44.07 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.073 -1.017 . . . . 0.0 108.603 179.073 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -77.1 -54.9 5.95 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.449 -0.782 . . . . 0.0 108.898 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.662 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -62.72 -25.9 68.41 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.211 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.56 ' SD ' HD22 ' A' ' 10' ' ' LEU . 6.2 mmm -71.42 -52.01 20.84 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.579 -0.7 . . . . 0.0 109.44 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.494 ' O ' ' HG3' ' A' ' 79' ' ' MET . . . -68.39 -20.82 64.71 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.188 -0.945 . . . . 0.0 109.072 179.74 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.728 ' O ' HG22 ' A' ' 80' ' ' VAL . 0.7 OUTLIER -74.92 -35.31 62.21 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.51 -0.744 . . . . 0.0 109.316 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.966 HG12 ' HE2' ' B' ' 7' ' ' MET . 87.6 t -73.1 -26.06 22.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.383 -0.823 . . . . 0.0 109.805 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.408 ' O ' ' OG1' ' A' ' 82' ' ' THR . 50.6 m -78.67 -41.47 31.13 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.183 -0.948 . . . . 0.0 110.572 -179.192 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.601 ' HB3' HG13 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -61.73 -42.25 98.71 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.088 -1.007 . . . . 0.0 110.247 -179.318 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.745 HG13 HG21 ' A' ' 56' ' ' VAL . 3.2 m -79.92 -38.52 18.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.093 -1.004 . . . . 0.0 110.932 -179.093 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.756 HG21 ' HG3' ' B' ' 7' ' ' MET . 45.3 m -66.88 -6.83 17.98 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.858 -1.151 . . . . 0.0 109.892 -179.555 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.448 ' HB ' ' HG2' ' B' ' 71' ' ' GLN . 2.4 p -111.1 -26.73 9.07 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.045 -1.035 . . . . 0.0 109.727 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.656 0 O-C-N 121.273 -0.892 . . . . 0.0 109.518 -179.921 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.312 0.577 . . . . 0.0 109.726 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.75 ' HB3' HG22 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -73.45 -56.95 4.37 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.301 -0.874 . . . . 0.0 109.481 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.882 HD22 HD12 ' A' ' 35' ' ' LEU . 9.0 tp -61.76 -38.14 86.9 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.368 -0.832 . . . . 0.0 109.716 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 4' ' ' GLU . . . . . 0.545 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 1.2 tt0 -62.37 -53.65 51.93 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.146 -0.971 . . . . 0.0 110.229 -179.287 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.43 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 5.9 mttm -62.07 -36.58 82.09 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.904 -1.123 . . . . 0.0 110.645 -179.132 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.528 ' HB1' ' HB3' ' A' ' 9' ' ' ALA . . . -80.26 -70.44 0.52 Allowed 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.984 -1.072 . . . . 0.0 110.43 -179.168 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 7' ' ' MET . . . . . 0.966 ' HE2' HG12 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -46.08 -53.77 9.69 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.373 -0.829 . . . . 0.0 109.875 -179.282 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.533 HG23 ' O ' ' B' ' 4' ' ' GLU . 32.3 t -56.88 -36.59 50.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 C-N-CA 119.568 -0.853 . . . . 0.0 109.151 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.52 ' HB3' ' HB1' ' A' ' 6' ' ' ALA . . . -52.22 -43.04 64.05 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 179.088 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.564 HD22 ' SD ' ' B' ' 74' ' ' MET . 0.2 OUTLIER -51.79 -51.75 54.1 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.069 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 1.6 mp -49.62 -40.05 14.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 179.124 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -50.56 -51.06 51.59 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.379 -0.825 . . . . 0.0 109.177 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' VAL . . . . . 0.761 HG22 ' HB3' ' A' ' 2' ' ' GLU . 44.0 t -55.03 -35.06 33.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.405 -0.809 . . . . 0.0 109.463 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.669 ' CE1' HD23 ' B' ' 27' ' ' LEU . 19.0 t80 -63.34 -37.86 88.89 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.17 -0.956 . . . . 0.0 109.68 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 -75.62 -12.38 60.2 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.128 -0.982 . . . . 0.0 109.54 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 38.8 tp60 -86.98 -53.5 4.85 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.27 -0.894 . . . . 0.0 109.43 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.713 ' CD1' HD21 ' B' ' 35' ' ' LEU . 78.8 m-85 -76.36 -25.24 54.46 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.205 -0.934 . . . . 0.0 109.882 -179.746 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.598 0 O-C-N 121.104 -0.997 . . . . 0.0 109.447 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' HIS . . . . . 0.553 ' CE1' ' HE1' ' B' ' 70' ' ' PHE . 56.4 t-80 . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.785 ' O ' HD22 ' B' ' 27' ' ' LEU . 0.0 OUTLIER -145.31 160.66 41.18 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.029 -1.044 . . . . 0.0 109.945 -179.879 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.785 HD22 ' O ' ' B' ' 26' ' ' LYS . 0.6 OUTLIER -140.96 -161.05 1.15 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.468 -0.77 . . . . 0.0 109.07 179.887 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.34 163.3 38.12 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.165 -0.96 . . . . 0.0 109.582 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.495 ' HG3' ' HB3' ' B' ' 63' ' ' ASP . 19.4 mmtp -73.72 -27.16 61.05 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.24 -0.912 . . . . 0.0 109.453 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.65 -43.26 20.72 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.308 -0.87 . . . . 0.0 109.489 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.509 ' O ' ' HB2' ' B' ' 35' ' ' LEU . 2.5 tt0 -73.8 -24.97 59.89 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.205 -0.934 . . . . 0.0 108.548 179.552 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.487 ' O ' HG13 ' B' ' 36' ' ' ILE . 33.9 tp -77.74 -47.57 18.74 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 179.472 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.561 ' HB2' HD22 ' B' ' 60' ' ' LEU . 0.1 OUTLIER -58.05 -43.1 86.7 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 179.248 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.568 ' HG3' ' N ' ' B' ' 35' ' ' LEU . 0.1 OUTLIER -71.56 -31.72 67.31 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.672 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.871 HD12 HD22 ' A' ' 3' ' ' LEU . 0.1 OUTLIER -58.21 -37.12 74.2 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.552 -0.717 . . . . 0.0 109.333 179.377 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.599 HG21 HG21 ' B' ' 80' ' ' VAL . 0.8 OUTLIER -80.49 -56.99 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.33 -0.856 . . . . 0.0 110.455 -179.297 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.528 ' O ' ' CB ' ' B' ' 41' ' ' SER . 35.4 t-20 -66.24 -63.02 1.17 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.346 -0.846 . . . . 0.0 110.587 -178.743 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.526 ' CB ' ' OE1' ' B' ' 34' ' ' GLU . 41.9 t30 -49.44 -55.74 12.1 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.958 -1.088 . . . . 0.0 110.854 -178.671 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.613 ' HG3' HD13 ' B' ' 35' ' ' LEU . 6.4 mm-40 -70.69 -75.26 0.12 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.003 -1.061 . . . . 0.0 111.16 -178.501 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.709 ' HG ' HD23 ' A' ' 3' ' ' LEU . 10.4 mt -61.45 -98.29 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.353 0 O-C-N 120.991 -1.068 . . . . 0.0 110.232 -178.683 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.528 ' CB ' ' O ' ' B' ' 37' ' ' ASN . 15.3 t 40.88 41.05 1.12 Allowed 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.229 -0.919 . . . . 0.0 109.708 -179.633 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -113.23 -21.72 10.84 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.089 -1.007 . . . . 0.0 109.55 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -129.26 30.93 4.93 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.244 -0.91 . . . . 0.0 109.416 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.664 HD21 HG12 ' B' ' 47' ' ' ILE . 0.7 OUTLIER -105.54 116.44 31.95 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.216 -0.927 . . . . 0.0 109.537 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.599 ' N ' HD13 ' B' ' 44' ' ' LEU . 0.1 OUTLIER -143.59 -59.17 0.41 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.235 -0.916 . . . . 0.0 109.675 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 46' ' ' GLU . . . . . 0.475 ' O ' ' HB ' ' B' ' 47' ' ' ILE . 25.9 mt-10 -109.58 -23.1 11.65 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.263 -0.898 . . . . 0.0 109.482 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.664 HG12 HD21 ' B' ' 44' ' ' LEU . 71.8 mt 62.91 137.04 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.284 -0.885 . . . . 0.0 109.585 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 13.2 tttm -109.78 -66.66 1.05 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.288 -0.882 . . . . 0.0 109.007 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.746 ' OE1' HG23 ' B' ' 52' ' ' VAL . 11.1 mm-40 -67.48 86.18 0.18 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.281 -0.887 . . . . 0.0 109.092 179.567 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 50' ' ' GLN . . . . . 0.527 ' O ' ' CB ' ' B' ' 54' ' ' ASP . 14.9 tt0 -63.3 -25.23 68.22 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.221 -0.924 . . . . 0.0 109.414 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.463 ' O ' ' HG2' ' B' ' 55' ' ' LYS . 0.6 OUTLIER -80.49 -33.44 36.55 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.225 -0.922 . . . . 0.0 109.858 -179.827 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.746 HG23 ' OE1' ' B' ' 49' ' ' GLU . 60.8 t -72.5 -47.37 51.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.223 -0.923 . . . . 0.0 109.841 -179.672 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.434 ' O ' ' CB ' ' B' ' 57' ' ' MET . 59.0 t -75.44 -26.43 18.45 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.143 -0.973 . . . . 0.0 109.273 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 54' ' ' ASP . . . . . 0.527 ' CB ' ' O ' ' B' ' 50' ' ' GLN . 32.9 t70 -80.88 -24.85 38.02 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.342 -0.849 . . . . 0.0 109.44 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 55' ' ' LYS . . . . . 0.562 ' HG3' ' N ' ' B' ' 56' ' ' VAL . 0.1 OUTLIER -77.6 -39.81 44.23 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.896 -1.127 . . . . 0.0 109.306 179.853 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.769 HG21 HG13 ' B' ' 80' ' ' VAL . 2.9 m -81.02 -34.67 13.84 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.321 0 O-C-N 121.034 -1.041 . . . . 0.0 108.702 179.422 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.434 ' CB ' ' O ' ' B' ' 53' ' ' VAL . 2.3 ttm -75.22 -26.05 58.64 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 179.484 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 58' ' ' GLU . . . . . 0.485 ' O ' ' HB2' ' B' ' 62' ' ' GLU . 72.4 mt-10 -80.06 -49.99 10.98 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.2 -0.938 . . . . 0.0 108.549 179.111 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 3.1 m -63.8 -29.65 70.83 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 178.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.561 HD22 ' HB2' ' B' ' 33' ' ' LYS . 9.8 mt -67.29 -56.27 10.46 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 179.439 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.51 -0.47 37.65 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.564 -0.71 . . . . 0.0 109.825 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.485 ' HB2' ' O ' ' B' ' 58' ' ' GLU . 74.4 tt0 -80.0 -37.41 34.27 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.146 -0.972 . . . . 0.0 109.583 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.495 ' HB3' ' HG3' ' B' ' 29' ' ' LYS . 0.2 OUTLIER -106.46 -67.76 0.92 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.27 -0.894 . . . . 0.0 109.461 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 64' ' ' GLY . . . . . 0.422 ' CA ' ' HB2' ' B' ' 29' ' ' LYS . . . 85.65 -54.75 4.83 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.757 -1.337 . . . . 0.0 109.757 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -100.16 23.13 10.4 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.097 -1.237 . . . . 0.0 109.615 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -95.66 161.75 23.04 Favored Glycine 0 N--CA 1.487 2.049 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -104.14 148.25 26.49 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.329 -1.101 . . . . 0.0 109.468 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.453 ' SG ' ' HD3' ' B' ' 29' ' ' LYS . 3.3 m -117.5 173.47 6.69 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.163 -0.96 . . . . 0.0 109.583 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -108.43 -177.96 3.47 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.336 -0.853 . . . . 0.0 109.198 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.612 ' CE2' ' HG3' ' B' ' 71' ' ' GLN . 36.7 p90 -79.89 -33.0 40.3 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.026 -1.046 . . . . 0.0 109.479 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.612 ' HG3' ' CE2' ' B' ' 70' ' ' PHE . 6.5 mt-30 -79.03 -23.95 43.96 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.113 -0.992 . . . . 0.0 108.547 179.09 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -77.0 -54.82 6.07 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.401 -0.812 . . . . 0.0 108.881 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.659 ' O ' HG23 ' B' ' 77' ' ' VAL . 0.0 OUTLIER -62.81 -25.9 68.48 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.279 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.564 ' SD ' HD22 ' B' ' 10' ' ' LEU . 6.2 mmm -71.45 -51.95 21.08 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.58 -0.7 . . . . 0.0 109.435 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.495 ' O ' ' HG3' ' B' ' 79' ' ' MET . . . -68.42 -20.82 64.68 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.136 -0.977 . . . . 0.0 109.091 179.725 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.715 ' O ' HG22 ' B' ' 80' ' ' VAL . 0.7 OUTLIER -74.93 -35.3 62.18 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.383 -0.823 . . . . 0.0 109.352 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 1.045 HG12 ' HE2' ' A' ' 7' ' ' MET . 88.1 t -73.04 -26.14 22.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.38 -0.825 . . . . 0.0 109.832 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 78' ' ' SER . . . . . 0.402 ' O ' ' OG1' ' B' ' 82' ' ' THR . 50.8 m -78.51 -41.54 32.09 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.23 -0.919 . . . . 0.0 110.678 -179.252 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 79' ' ' MET . . . . . 0.609 ' HB3' HG13 ' B' ' 52' ' ' VAL . 0.0 OUTLIER -61.7 -42.3 98.76 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.02 -1.05 . . . . 0.0 110.249 -179.267 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.769 HG13 HG21 ' B' ' 56' ' ' VAL . 3.2 m -79.97 -38.47 18.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.086 -1.009 . . . . 0.0 110.876 -178.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.78 HG21 ' HG3' ' A' ' 7' ' ' MET . 46.0 m -66.98 -6.76 18.14 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.88 -1.138 . . . . 0.0 109.808 -179.524 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.435 ' HB ' ' HG2' ' A' ' 71' ' ' GLN . 2.4 p -111.14 -26.79 9.02 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.086 -1.009 . . . . 0.0 109.679 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.626 0 O-C-N 121.189 -0.944 . . . . 0.0 109.563 -179.918 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' SER . . . . . 0.466 ' HB2' ' OE1' ' B' ' 39' ' ' GLU . 28.9 p . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 121.406 0.622 . . . . 0.0 109.618 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.909 ' HB2' HG22 ' B' ' 13' ' ' VAL . 30.3 mm-40 -80.42 -41.01 25.3 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.309 -0.869 . . . . 0.0 109.925 -179.74 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.85 HD22 HD12 ' B' ' 35' ' ' LEU . 7.3 tp -69.93 -39.81 75.88 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.295 -0.878 . . . . 0.0 110.71 -179.116 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.683 ' O ' HG23 ' A' ' 8' ' ' VAL . 37.4 mt-10 -73.26 -65.74 0.77 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.954 -1.091 . . . . 0.0 110.667 -178.629 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.4 -34.03 56.15 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 120.789 -1.194 . . . . 0.0 110.125 -179.065 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.618 ' CB ' ' HB3' ' B' ' 9' ' ' ALA . . . -81.34 -68.73 0.67 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.149 -0.97 . . . . 0.0 110.883 -179.366 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.815 ' HE2' HG12 ' B' ' 77' ' ' VAL . 1.6 tpt -52.19 -53.15 46.87 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.176 -0.952 . . . . 0.0 109.822 -178.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 4' ' ' GLU . 8.6 t -54.28 -31.09 21.76 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 O-C-N 121.49 -0.756 . . . . 0.0 109.313 -179.731 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.617 ' HB3' ' HB1' ' B' ' 6' ' ' ALA . . . -66.92 -42.94 84.53 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.078 -1.014 . . . . 0.0 109.192 179.533 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.668 HD21 HG11 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -50.81 -49.66 58.03 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.259 -0.901 . . . . 0.0 108.642 179.303 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.7 mt -49.39 -41.29 15.13 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.073 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -52.09 -52.91 48.33 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 179.447 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.92 HG22 ' HB2' ' B' ' 2' ' ' GLU . 96.9 t -45.84 -41.39 3.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.319 -0.863 . . . . 0.0 109.133 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.831 ' CD2' HD12 ' A' ' 27' ' ' LEU . 39.7 t80 -66.09 -41.8 90.18 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.277 -0.889 . . . . 0.0 109.244 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.433 ' O ' ' CG ' ' A' ' 15' ' ' HIS . 30.6 t-80 -86.91 10.72 15.34 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.327 -0.858 . . . . 0.0 109.181 179.764 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -107.12 -45.26 4.17 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.333 -0.855 . . . . 0.0 109.553 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.628 ' CG ' HD21 ' A' ' 35' ' ' LEU . 20.1 m-85 -82.57 -30.26 29.73 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.191 -0.943 . . . . 0.0 109.57 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.5 t . . . . . 0 N--CA 1.49 1.526 0 O-C-N 121.165 -0.959 . . . . 0.0 109.57 -179.968 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 120.89 0.376 . . . . 0.0 110.227 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.31 132.02 14.97 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.97 -1.081 . . . . 0.0 109.513 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.831 HD12 ' CD2' ' A' ' 14' ' ' PHE . 0.4 OUTLIER -91.37 -159.22 0.62 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.168 -0.958 . . . . 0.0 109.274 179.727 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.46 ' HA ' ' HA ' ' A' ' 67' ' ' GLU . 12.0 mtmt -145.75 157.93 43.9 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.113 -0.992 . . . . 0.0 109.5 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.483 ' HE2' ' HB2' ' A' ' 63' ' ' ASP . 1.9 mtpp -71.8 -26.99 62.63 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.218 -0.926 . . . . 0.0 109.377 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.0 t -80.14 -36.31 35.39 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.259 -0.901 . . . . 0.0 109.297 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.513 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 1.3 tt0 -82.06 -18.0 44.7 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 179.192 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.525 ' O ' HG13 ' A' ' 36' ' ' ILE . 14.2 tp -80.87 -43.91 19.18 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 178.45 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.685 ' HB2' HD22 ' A' ' 60' ' ' LEU . 16.5 ttpp -56.86 -38.54 72.86 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 179.044 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.557 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 7.3 pt-20 -77.74 -39.68 43.58 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 179.695 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.846 HD12 HD22 ' B' ' 3' ' ' LEU . 0.1 OUTLIER -48.8 -46.81 42.27 Favored 'General case' 0 C--N 1.296 -1.745 0 O-C-N 121.577 -0.702 . . . . 0.0 109.3 179.776 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.785 HG22 HD22 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -81.4 -54.55 9.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.389 -0.819 . . . . 0.0 110.837 -179.356 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -71.88 2.41 5.57 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.223 -0.923 . . . . 0.0 111.449 -178.104 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.557 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 19.1 t-20 -111.34 -50.38 2.94 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.805 -1.185 . . . . 0.0 109.496 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.508 ' O ' ' HB3' ' B' ' 3' ' ' LEU . 0.0 OUTLIER -140.94 41.41 1.82 Allowed 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.233 -0.917 . . . . 0.0 109.611 179.907 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.859 ' HA ' HD23 ' B' ' 3' ' ' LEU . 0.5 OUTLIER -61.1 -78.11 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.097 -1.002 . . . . 0.0 108.659 179.53 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.609 ' HB3' HG22 ' B' ' 8' ' ' VAL . 1.6 p -162.65 44.03 0.13 Allowed 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.305 -0.872 . . . . 0.0 108.76 179.61 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 49.12 23.74 0.81 Allowed 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.347 -0.846 . . . . 0.0 109.115 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.551 ' O ' HD12 ' A' ' 44' ' ' LEU . 11.2 m-85 -110.88 102.91 11.38 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.496 -0.753 . . . . 0.0 109.434 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.551 HD12 ' O ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -176.78 90.76 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.279 -0.888 . . . . 0.0 109.521 -179.807 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.506 ' HG3' ' N ' ' A' ' 46' ' ' GLU . 3.8 pt-20 -176.81 -32.99 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.202 -0.936 . . . . 0.0 109.553 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.506 ' N ' ' HG3' ' A' ' 45' ' ' GLU . 14.7 mt-10 -103.56 -59.83 1.66 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.28 -0.888 . . . . 0.0 109.554 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.457 ' HB ' ' O ' ' A' ' 46' ' ' GLU . 24.1 mt 67.26 109.93 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.376 -0.828 . . . . 0.0 109.522 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.27 -42.53 5.24 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.369 -0.832 . . . . 0.0 109.225 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.632 ' OE1' HG23 ' A' ' 52' ' ' VAL . 10.7 mm-40 -88.87 73.55 8.37 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.24 -0.913 . . . . 0.0 109.313 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.53 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 29.4 tt0 -55.99 -22.58 27.65 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.351 -0.843 . . . . 0.0 109.421 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -79.12 -42.8 25.42 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.173 -0.954 . . . . 0.0 109.599 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.632 HG23 ' OE1' ' A' ' 49' ' ' GLU . 51.1 t -61.23 -60.98 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.291 -0.881 . . . . 0.0 109.391 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.543 ' O ' ' CB ' ' A' ' 57' ' ' MET . 71.6 t -62.32 -28.07 43.88 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 O-C-N 121.35 -0.844 . . . . 0.0 109.64 -179.552 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.53 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 10.9 t0 -72.37 -24.96 61.34 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.921 -1.112 . . . . 0.0 108.952 179.549 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.668 ' CD ' ' HE3' ' A' ' 79' ' ' MET . 0.2 OUTLIER -80.82 -56.79 3.89 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.392 -0.818 . . . . 0.0 109.941 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.594 HG23 ' N ' ' A' ' 57' ' ' MET . 33.7 m -65.89 -48.19 82.85 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.36 0 O-C-N 120.961 -1.087 . . . . 0.0 108.838 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.594 ' N ' HG23 ' A' ' 56' ' ' VAL . 0.2 OUTLIER -60.01 -23.2 63.48 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.393 -0.817 . . . . 0.0 108.882 179.226 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.474 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 1.8 mt-10 -68.17 -54.33 18.66 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.272 -0.892 . . . . 0.0 109.253 179.662 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.68 -29.91 70.39 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.474 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.685 HD22 ' HB2' ' A' ' 33' ' ' LYS . 8.9 mt -62.44 -51.47 67.36 Favored 'General case' 0 C--N 1.302 -1.46 0 CA-C-O 121.514 0.673 . . . . 0.0 109.248 179.47 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.85 -4.51 52.53 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.465 -0.772 . . . . 0.0 109.562 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -71.33 -67.42 0.52 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.158 -0.964 . . . . 0.0 109.625 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.483 ' HB2' ' HE2' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -87.91 -48.21 7.98 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.347 -0.845 . . . . 0.0 109.562 -179.822 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.4 -52.61 4.51 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.581 -1.408 . . . . 0.0 109.581 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -123.05 78.69 1.58 Allowed 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.188 -1.183 . . . . 0.0 109.505 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.454 ' HA3' ' HD2' ' A' ' 29' ' ' LYS . . . -129.44 -161.33 10.51 Favored Glycine 0 N--CA 1.486 2.01 0 N-CA-C 109.486 -1.446 . . . . 0.0 109.486 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.46 ' HA ' ' HA ' ' A' ' 28' ' ' LYS . 24.0 mt-10 -120.99 132.68 55.06 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.25 -1.147 . . . . 0.0 109.458 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 97.6 m -104.64 179.32 4.3 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.256 -0.902 . . . . 0.0 108.93 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -134.08 154.7 51.01 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.061 -1.025 . . . . 0.0 109.53 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 1.132 ' CE2' HG23 ' B' ' 82' ' ' THR . 0.1 OUTLIER -47.84 -26.04 1.51 Allowed 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.316 -0.865 . . . . 0.0 110.441 -179.808 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 1.031 ' HG2' HG21 ' B' ' 82' ' ' THR . 0.8 OUTLIER -79.52 -52.38 8.1 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.094 -1.004 . . . . 0.0 109.452 179.566 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.57 ' OE2' ' CE1' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -57.85 -56.98 14.96 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.308 -0.87 . . . . 0.0 109.836 -179.683 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.547 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -56.06 -18.15 8.87 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.122 -0.986 . . . . 0.0 108.967 179.773 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.634 ' HA ' ' HE3' ' A' ' 74' ' ' MET . 0.7 OUTLIER -79.35 -60.05 2.52 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.126 -0.984 . . . . 0.0 109.917 -179.779 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.487 ' O ' ' HG3' ' A' ' 79' ' ' MET . . . -66.0 -17.19 64.52 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.606 -0.684 . . . . 0.0 109.326 -179.575 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.656 ' O ' HG22 ' A' ' 80' ' ' VAL . 2.2 m-85 -81.17 -33.57 32.96 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.472 -0.767 . . . . 0.0 109.842 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.894 HG12 ' HE2' ' B' ' 7' ' ' MET . 53.7 t -75.11 -29.37 21.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.182 -0.949 . . . . 0.0 109.952 -179.658 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.562 ' HA ' ' CE ' ' B' ' 7' ' ' MET . 2.4 p -78.69 -34.47 46.09 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.187 -0.946 . . . . 0.0 110.043 -179.495 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.668 ' HE3' ' CD ' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -65.23 -42.95 92.89 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.182 -0.949 . . . . 0.0 110.24 -179.54 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.737 HG21 HG21 ' A' ' 36' ' ' ILE . 6.3 m -80.91 -38.76 17.23 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.128 -0.982 . . . . 0.0 111.254 -178.773 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.76 HG21 ' HG3' ' B' ' 7' ' ' MET . 30.4 m -62.92 -11.74 20.55 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.869 -1.145 . . . . 0.0 109.738 -179.364 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' THR . . . . . 1.132 HG23 ' CE2' ' B' ' 70' ' ' PHE . 1.3 m -111.3 -26.74 8.99 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.254 -0.904 . . . . 0.0 109.306 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.5 ' CB ' HG23 ' A' ' 53' ' ' VAL . . . . . . . . 0 N--CA 1.491 1.613 0 O-C-N 121.061 -1.024 . . . . 0.0 110.748 -179.309 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 1' ' ' SER . . . . . 0.452 ' HB2' ' OE1' ' A' ' 39' ' ' GLU . 28.7 p . . . . . 0 N--CA 1.489 1.514 0 CA-C-O 121.42 0.628 . . . . 0.0 109.572 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.92 ' HB2' HG22 ' A' ' 13' ' ' VAL . 30.2 mm-40 -80.39 -41.02 25.38 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.306 -0.871 . . . . 0.0 109.901 -179.696 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.859 HD23 ' HA ' ' A' ' 40' ' ' LEU . 7.3 tp -69.98 -39.73 75.76 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.339 -0.85 . . . . 0.0 110.701 -179.07 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 4' ' ' GLU . . . . . 0.678 ' O ' HG23 ' B' ' 8' ' ' VAL . 37.1 mt-10 -73.24 -65.74 0.77 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.911 -1.118 . . . . 0.0 110.736 -178.713 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.4 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 0.0 OUTLIER -53.43 -34.04 56.32 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 120.705 -1.247 . . . . 0.0 109.993 -179.039 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.617 ' HB1' ' HB3' ' A' ' 9' ' ' ALA . . . -81.36 -68.83 0.66 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.081 -1.012 . . . . 0.0 110.828 -179.297 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 7' ' ' MET . . . . . 0.894 ' HE2' HG12 ' A' ' 77' ' ' VAL . 1.6 tpt -52.11 -53.28 44.46 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.224 -0.923 . . . . 0.0 109.74 -178.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.678 HG23 ' O ' ' B' ' 4' ' ' GLU . 8.5 t -54.21 -31.05 21.43 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.622 0 O-C-N 121.45 -0.781 . . . . 0.0 109.389 -179.702 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.618 ' HB3' ' CB ' ' A' ' 6' ' ' ALA . . . -66.95 -42.98 84.31 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.031 -1.043 . . . . 0.0 109.147 179.523 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.662 HD21 HG11 ' B' ' 77' ' ' VAL . 0.2 OUTLIER -50.8 -49.57 58.2 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.248 -0.907 . . . . 0.0 108.567 179.336 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 1.7 mt -49.43 -41.33 15.33 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 179.104 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -52.05 -52.86 48.28 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.473 -0.767 . . . . 0.0 108.962 179.416 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' VAL . . . . . 0.909 HG22 ' HB2' ' A' ' 2' ' ' GLU . 95.3 t -45.81 -41.48 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.357 -0.84 . . . . 0.0 109.128 179.633 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.833 ' CD2' HD12 ' B' ' 27' ' ' LEU . 39.4 t80 -65.98 -41.9 90.52 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.243 -0.911 . . . . 0.0 109.302 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 15' ' ' HIS . . . . . 0.424 ' O ' ' CG ' ' B' ' 15' ' ' HIS . 30.6 t-80 -86.81 10.6 15.5 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.195 -0.941 . . . . 0.0 109.285 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -107.01 -45.27 4.2 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.388 -0.82 . . . . 0.0 109.637 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.62 ' CG ' HD21 ' B' ' 35' ' ' LEU . 19.9 m-85 -82.58 -30.35 29.65 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.248 -0.907 . . . . 0.0 109.515 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 5.4 t . . . . . 0 N--CA 1.49 1.534 0 O-C-N 121.185 -0.947 . . . . 0.0 109.582 -179.951 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 120.888 0.375 . . . . 0.0 110.257 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.4 132.09 14.94 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.012 -1.055 . . . . 0.0 109.513 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.833 HD12 ' CD2' ' B' ' 14' ' ' PHE . 0.4 OUTLIER -91.41 -159.09 0.61 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.292 -0.88 . . . . 0.0 109.257 179.72 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.468 ' HA ' ' HA ' ' B' ' 67' ' ' GLU . 12.2 mtmt -145.8 157.97 43.89 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.088 -1.007 . . . . 0.0 109.601 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.475 ' HE2' ' HB2' ' B' ' 63' ' ' ASP . 1.9 mtpp -71.71 -27.09 62.79 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.262 -0.899 . . . . 0.0 109.387 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 8.0 t -80.12 -36.22 35.61 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.296 -0.878 . . . . 0.0 109.373 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.519 ' O ' ' HG2' ' B' ' 34' ' ' GLU . 1.3 tp10 -82.16 -18.02 44.25 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 179.22 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.521 ' O ' HG13 ' B' ' 36' ' ' ILE . 14.2 tp -80.9 -43.91 19.12 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 178.439 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.691 ' HB2' HD22 ' B' ' 60' ' ' LEU . 16.6 ttpp -56.93 -38.62 73.16 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 179.098 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.556 ' O ' ' CB ' ' B' ' 38' ' ' ASN . 7.4 pt-20 -77.63 -39.72 44.3 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 179.69 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.85 HD12 HD22 ' A' ' 3' ' ' LEU . 0.1 OUTLIER -48.86 -46.7 42.71 Favored 'General case' 0 C--N 1.296 -1.744 0 O-C-N 121.642 -0.661 . . . . 0.0 109.314 179.763 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.799 HG22 HD22 ' B' ' 40' ' ' LEU . 0.2 OUTLIER -81.48 -54.48 9.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.419 -0.8 . . . . 0.0 110.823 -179.294 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -72.05 2.42 5.76 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.209 -0.932 . . . . 0.0 111.476 -178.148 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.556 ' CB ' ' O ' ' B' ' 34' ' ' GLU . 19.0 t-20 -111.3 -50.42 2.94 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.827 -1.171 . . . . 0.0 109.537 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.508 ' O ' ' HG3' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -140.91 41.5 1.82 Allowed 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.217 -0.927 . . . . 0.0 109.652 179.857 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.831 ' HA ' HD23 ' A' ' 3' ' ' LEU . 0.5 OUTLIER -61.16 -78.23 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.138 -0.976 . . . . 0.0 108.625 179.494 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.63 ' HB3' HG22 ' A' ' 8' ' ' VAL . 1.6 p -162.57 43.97 0.13 Allowed 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.337 -0.852 . . . . 0.0 108.832 179.608 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 49.14 23.76 0.83 Allowed 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.483 -0.761 . . . . 0.0 109.075 -179.677 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 43' ' ' PHE . . . . . 0.544 ' O ' HD12 ' B' ' 44' ' ' LEU . 11.4 m-85 -110.79 102.86 11.36 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.397 -0.815 . . . . 0.0 109.457 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.544 HD12 ' O ' ' B' ' 43' ' ' PHE . 0.1 OUTLIER -176.8 90.68 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.339 -0.85 . . . . 0.0 109.533 -179.842 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.508 ' HG3' ' N ' ' B' ' 46' ' ' GLU . 3.8 pt-20 -176.76 -32.79 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.154 -0.966 . . . . 0.0 109.637 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 46' ' ' GLU . . . . . 0.508 ' N ' ' HG3' ' B' ' 45' ' ' GLU . 14.7 mt-10 -103.76 -59.75 1.68 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.182 -0.949 . . . . 0.0 109.486 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.452 ' HB ' ' O ' ' B' ' 46' ' ' GLU . 24.3 mt 67.24 110.06 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.365 -0.834 . . . . 0.0 109.501 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.42 -42.43 5.24 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.235 -0.915 . . . . 0.0 109.231 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.636 ' OE1' HG23 ' B' ' 52' ' ' VAL . 10.6 mm-40 -88.94 73.68 8.3 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.34 -0.85 . . . . 0.0 109.252 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 50' ' ' GLN . . . . . 0.524 ' O ' ' CB ' ' B' ' 54' ' ' ASP . 29.4 tt0 -56.01 -22.63 28.12 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.34 -0.85 . . . . 0.0 109.381 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -79.16 -42.73 25.47 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.167 -0.958 . . . . 0.0 109.587 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.636 HG23 ' OE1' ' B' ' 49' ' ' GLU . 50.8 t -61.35 -60.94 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.17 -0.956 . . . . 0.0 109.418 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.54 ' O ' ' CB ' ' B' ' 57' ' ' MET . 72.7 t -62.21 -28.08 43.82 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 O-C-N 121.246 -0.909 . . . . 0.0 109.695 -179.655 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 54' ' ' ASP . . . . . 0.524 ' CB ' ' O ' ' B' ' 50' ' ' GLN . 10.8 t0 -72.42 -24.92 61.3 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 120.937 -1.102 . . . . 0.0 108.88 179.613 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 55' ' ' LYS . . . . . 0.665 ' CD ' ' HE3' ' B' ' 79' ' ' MET . 0.2 OUTLIER -80.93 -56.79 3.88 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.39 -0.819 . . . . 0.0 109.899 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.592 HG23 ' N ' ' B' ' 57' ' ' MET . 33.6 m -66.0 -48.04 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.363 0 O-C-N 120.951 -1.093 . . . . 0.0 108.829 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.592 ' N ' HG23 ' B' ' 56' ' ' VAL . 0.2 OUTLIER -60.21 -23.05 63.71 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.403 -0.811 . . . . 0.0 108.88 179.289 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 58' ' ' GLU . . . . . 0.465 ' HB2' ' O ' ' B' ' 54' ' ' ASP . 1.8 mt-10 -68.22 -54.26 19.02 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.287 -0.883 . . . . 0.0 109.252 179.653 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.84 -29.84 70.44 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.461 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.691 HD22 ' HB2' ' B' ' 33' ' ' LYS . 9.0 mt -62.35 -51.51 67.32 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-O 121.584 0.707 . . . . 0.0 109.289 179.397 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.89 -4.48 52.51 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.527 -0.733 . . . . 0.0 109.538 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -71.33 -67.4 0.52 Allowed 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.259 -0.901 . . . . 0.0 109.653 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.475 ' HB2' ' HE2' ' B' ' 29' ' ' LYS . 0.2 OUTLIER -87.95 -48.12 8.03 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.415 -0.803 . . . . 0.0 109.666 -179.873 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.34 -52.65 4.52 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -123.08 78.61 1.58 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.255 -1.144 . . . . 0.0 109.519 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 66' ' ' GLY . . . . . 0.444 ' HA3' ' HD2' ' B' ' 29' ' ' LYS . . . -129.33 -161.28 10.51 Favored Glycine 0 N--CA 1.487 2.064 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.468 ' HA ' ' HA ' ' B' ' 28' ' ' LYS . 24.0 mt-10 -121.02 132.75 55.09 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.2 -1.176 . . . . 0.0 109.504 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 98.4 m -104.75 179.31 4.31 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.262 -0.899 . . . . 0.0 108.78 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -134.09 154.6 51.08 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.016 -1.052 . . . . 0.0 109.613 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 1.132 ' CE2' HG23 ' A' ' 82' ' ' THR . 0.1 OUTLIER -47.62 -26.15 1.39 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.382 -0.824 . . . . 0.0 110.447 -179.874 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 1.062 ' HG2' HG21 ' A' ' 82' ' ' THR . 0.8 OUTLIER -79.58 -52.44 8.0 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.083 -1.011 . . . . 0.0 109.457 179.636 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.571 ' OE2' ' CE1' ' B' ' 76' ' ' PHE . 0.2 OUTLIER -57.83 -56.99 14.89 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.286 -0.884 . . . . 0.0 109.766 -179.661 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.544 ' O ' HG23 ' B' ' 77' ' ' VAL . 0.2 OUTLIER -56.05 -18.09 8.68 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.106 -0.996 . . . . 0.0 108.933 179.798 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.698 ' HA ' ' HE3' ' B' ' 74' ' ' MET . 0.7 OUTLIER -79.43 -60.18 2.46 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.203 -0.935 . . . . 0.0 109.883 -179.808 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.486 ' O ' ' HG3' ' B' ' 79' ' ' MET . . . -65.92 -17.0 64.37 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.505 -0.747 . . . . 0.0 109.294 -179.499 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.656 ' O ' HG22 ' B' ' 80' ' ' VAL . 2.2 m-85 -81.38 -33.53 32.26 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.488 -0.758 . . . . 0.0 109.808 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.815 HG12 ' HE2' ' A' ' 7' ' ' MET . 53.2 t -75.24 -29.34 21.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.165 -0.959 . . . . 0.0 109.831 -179.605 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 78' ' ' SER . . . . . 0.555 ' HA ' ' CE ' ' A' ' 7' ' ' MET . 2.4 p -78.64 -34.39 46.52 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.144 -0.973 . . . . 0.0 110.155 -179.614 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 79' ' ' MET . . . . . 0.665 ' HE3' ' CD ' ' B' ' 55' ' ' LYS . 0.2 OUTLIER -65.44 -42.86 91.97 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.077 -1.014 . . . . 0.0 110.27 -179.525 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.739 HG21 HG21 ' B' ' 36' ' ' ILE . 6.3 m -80.89 -38.69 17.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.109 -0.994 . . . . 0.0 111.295 -178.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.759 HG21 ' HG3' ' A' ' 7' ' ' MET . 29.9 m -62.91 -11.65 19.94 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.852 -1.155 . . . . 0.0 109.751 -179.464 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 82' ' ' THR . . . . . 1.132 HG23 ' CE2' ' A' ' 70' ' ' PHE . 1.3 m -111.35 -26.85 8.91 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.223 -0.923 . . . . 0.0 109.324 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.494 ' CB ' HG23 ' B' ' 53' ' ' VAL . . . . . . . . 0 N--CA 1.49 1.533 0 O-C-N 121.176 -0.952 . . . . 0.0 110.779 -179.314 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 1' ' ' SER . . . . . 0.443 ' OG ' ' HB3' ' A' ' 4' ' ' GLU . 78.1 p . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 121.321 0.582 . . . . 0.0 109.541 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.926 ' HB3' HG22 ' B' ' 13' ' ' VAL . 2.7 tp10 -79.81 -38.82 32.15 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.307 -0.871 . . . . 0.0 109.667 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.879 HD22 ' CD1' ' B' ' 35' ' ' LEU . 11.2 tp -79.54 -50.57 10.52 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.284 -0.885 . . . . 0.0 109.788 -179.65 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.872 ' HA ' HD23 ' B' ' 40' ' ' LEU . 6.0 tm-20 -54.56 -30.99 55.78 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.246 -0.909 . . . . 0.0 110.226 -179.347 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.582 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 3.2 mttt -81.0 -49.48 10.88 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.734 -1.229 . . . . 0.0 110.204 -179.471 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.619 ' HB2' ' HB3' ' B' ' 9' ' ' ALA . . . -71.8 -63.3 1.16 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.183 -0.948 . . . . 0.0 110.27 -179.185 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' MET . . . . . 1.005 ' HG3' HG21 ' B' ' 81' ' ' THR . 7.3 tpt -47.97 -53.75 15.06 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.283 -0.886 . . . . 0.0 109.943 -179.427 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.549 ' CG2' ' O ' ' A' ' 4' ' ' GLU . 18.2 t -64.78 -28.69 45.38 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.518 0 O-C-N 121.471 -0.768 . . . . 0.0 109.583 -179.421 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.633 ' HB3' ' HB2' ' B' ' 6' ' ' ALA . . . -66.43 -33.0 74.72 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.191 -0.943 . . . . 0.0 108.983 179.42 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 1.011 HD13 ' CE ' ' A' ' 74' ' ' MET . 0.4 OUTLIER -60.66 -50.37 73.79 Favored 'General case' 0 N--CA 1.486 1.375 0 O-C-N 121.245 -0.909 . . . . 0.0 108.614 179.446 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.649 HD11 HG22 ' B' ' 81' ' ' THR . 10.3 mt -49.97 -27.79 3.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 179.026 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -66.96 -48.09 69.62 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.641 -0.662 . . . . 0.0 109.358 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.945 HG22 ' HB3' ' B' ' 2' ' ' GLU . 47.9 t -47.13 -45.19 8.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.319 -0.863 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.407 ' CE1' ' HD1' ' A' ' 70' ' ' PHE . 1.2 t80 -55.33 -54.4 44.07 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.211 -0.931 . . . . 0.0 109.554 -179.758 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -59.61 -21.08 59.89 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.165 -0.959 . . . . 0.0 108.977 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -79.68 -30.01 40.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.51 -0.744 . . . . 0.0 109.402 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.545 ' CE2' HD21 ' A' ' 35' ' ' LEU . 73.5 m-85 -106.56 -80.23 0.56 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.288 -0.883 . . . . 0.0 109.675 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 17' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.622 0 O-C-N 121.252 -0.905 . . . . 0.0 109.698 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 . . . . . 0 N--CA 1.491 1.618 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.411 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 14.1 ptpt -150.59 151.53 32.72 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.14 -0.975 . . . . 0.0 109.623 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.75 -154.24 0.51 Allowed 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.239 -0.913 . . . . 0.0 109.202 179.554 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' A' ' 66' ' ' GLY . 3.9 mtmt -143.29 131.1 21.47 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.354 -0.841 . . . . 0.0 109.176 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.538 ' O ' ' CD2' ' A' ' 60' ' ' LEU . 0.6 OUTLIER -49.77 -27.27 4.71 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.182 -0.948 . . . . 0.0 109.472 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.401 ' OG ' ' O ' ' A' ' 64' ' ' GLY . 0.3 OUTLIER -68.1 -42.84 79.7 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.226 -0.921 . . . . 0.0 109.7 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.405 ' O ' ' HG3' ' A' ' 34' ' ' GLU . 30.8 tt0 -74.01 -23.08 59.38 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 179.517 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.833 HD13 ' HD2' ' A' ' 73' ' ' PHE . 8.2 tp -74.57 -34.46 62.9 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 178.785 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.91 ' HG3' HD13 ' A' ' 60' ' ' LEU . 54.9 tttt -60.51 -46.39 90.32 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 178.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.553 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 0.0 OUTLIER -71.74 -30.33 65.5 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.165 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.918 ' CD1' HD22 ' B' ' 3' ' ' LEU . 0.2 OUTLIER -56.83 -40.54 76.21 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 108.739 -0.838 . . . . 0.0 108.739 179.316 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.74 HD13 HG21 ' A' ' 80' ' ' VAL . 0.3 OUTLIER -81.75 -61.21 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.325 -0.859 . . . . 0.0 110.256 179.889 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -66.26 -3.22 5.39 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.449 -0.782 . . . . 0.0 111.522 -178.099 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.553 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 4.6 t30 -118.14 -75.68 0.58 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.698 -1.251 . . . . 0.0 109.622 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.532 ' HB3' ' HB3' ' B' ' 3' ' ' LEU . 6.5 mm-40 -47.95 -59.67 3.18 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.979 -1.075 . . . . 0.0 108.861 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.959 HD11 ' HG2' ' B' ' 7' ' ' MET . 10.0 mt -70.07 -98.94 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.2 -0.938 . . . . 0.0 108.604 179.287 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.4 t 68.11 2.34 3.16 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.986 -1.071 . . . . 0.0 110.552 179.276 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.503 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 2.6 t-80 -62.26 -18.13 60.36 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.858 -1.151 . . . . 0.0 108.733 179.751 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.532 ' O ' ' CB ' ' A' ' 44' ' ' LEU . 1.3 m-85 -128.18 -141.55 0.26 Allowed 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.532 ' CB ' ' O ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER 77.55 49.59 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.047 -1.033 . . . . 0.0 109.821 179.55 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.549 ' OE1' ' N ' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -106.98 -60.6 1.65 Allowed 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 178.685 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.485 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 2.4 mt-10 -113.28 27.72 9.36 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 106.736 -1.579 . . . . 0.0 106.736 177.376 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.485 ' HB ' ' O ' ' A' ' 46' ' ' GLU . 1.0 OUTLIER 66.69 143.65 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 -179.028 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.761 ' HB2' ' HB3' ' A' ' 83' ' ' ALA . 4.1 mttt -77.51 -74.16 0.27 Allowed 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.344 -0.848 . . . . 0.0 109.308 -179.207 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.93 ' HB2' ' HB1' ' A' ' 83' ' ' ALA . 0.0 OUTLIER -122.54 106.97 11.48 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.048 -1.032 . . . . 0.0 108.823 179.276 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.522 ' O ' ' HB2' ' A' ' 54' ' ' ASP . 4.3 tm0? -46.64 -32.72 3.69 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.04 -1.037 . . . . 0.0 109.075 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.473 ' HB2' ' OE2' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -82.25 -63.82 1.3 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.412 -0.805 . . . . 0.0 110.782 -179.689 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.457 HG23 ' HG3' ' A' ' 49' ' ' GLU . 5.6 t -53.83 -60.37 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 120.959 -1.088 . . . . 0.0 108.881 -179.542 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 49.8 t -54.45 -25.47 14.28 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.599 0 O-C-N 121.615 -0.678 . . . . 0.0 109.908 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.522 ' HB2' ' O ' ' A' ' 50' ' ' GLN . 1.6 m-20 -69.17 -38.88 78.93 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.93 -1.106 . . . . 0.0 109.894 -179.682 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.86 -49.01 61.94 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.17 -0.956 . . . . 0.0 111.277 -178.419 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.652 HG21 ' CG1' ' A' ' 80' ' ' VAL . 34.3 m -72.05 -45.82 61.74 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 O-C-N 120.763 -1.211 . . . . 0.0 109.257 -179.322 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.593 ' N ' HG23 ' A' ' 56' ' ' VAL . 39.7 tpp -65.06 -24.83 67.58 Favored 'General case' 0 C--N 1.295 -1.783 0 O-C-N 121.606 -0.684 . . . . 0.0 109.236 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.512 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 9.8 mt-10 -75.76 -55.81 5.28 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.072 -1.017 . . . . 0.0 109.275 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.02 -28.02 67.38 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.043 -1.036 . . . . 0.0 108.372 179.733 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.91 HD13 ' HG3' ' A' ' 33' ' ' LYS . 12.0 mt -66.7 -55.58 14.46 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 179.631 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.14 -0.62 36.75 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.492 -0.755 . . . . 0.0 109.59 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.491 ' HB2' ' O ' ' A' ' 58' ' ' GLU . 5.5 tt0 -77.43 -39.84 45.49 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.133 -0.979 . . . . 0.0 109.69 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.38 -47.19 0.51 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.199 -0.938 . . . . 0.0 109.777 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.401 ' O ' ' OG ' ' A' ' 30' ' ' SER . . . 58.84 14.18 22.03 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.695 -1.362 . . . . 0.0 109.695 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -134.31 10.3 3.79 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.063 -1.257 . . . . 0.0 109.422 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.474 ' O ' ' HG2' ' A' ' 28' ' ' LYS . . . -89.74 157.46 26.42 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.756 -1.337 . . . . 0.0 109.756 -179.702 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -89.9 134.39 34.23 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.319 -1.107 . . . . 0.0 109.484 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.8 178.92 4.27 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.223 -0.923 . . . . 0.0 109.395 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -118.15 176.68 5.11 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.251 -0.906 . . . . 0.0 109.233 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.474 ' O ' ' HB2' ' A' ' 74' ' ' MET . 6.7 t80 -70.68 -40.69 72.78 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.135 -0.978 . . . . 0.0 109.204 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.534 HE21 HG23 ' B' ' 82' ' ' THR . 0.1 OUTLIER -71.59 -27.5 63.18 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.376 -0.828 . . . . 0.0 109.712 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.65 -61.24 1.94 Allowed 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.117 -0.989 . . . . 0.0 108.803 179.695 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.833 ' HD2' HD13 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -53.19 -25.0 12.25 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.387 -0.821 . . . . 0.0 109.158 179.467 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 74' ' ' MET . . . . . 1.011 ' CE ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -76.46 -57.02 4.1 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.967 -1.083 . . . . 0.0 109.566 -179.77 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.488 ' O ' ' HG2' ' A' ' 79' ' ' MET . . . -63.97 -13.02 42.93 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.391 -0.818 . . . . 0.0 108.971 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.619 ' HB3' HD21 ' A' ' 32' ' ' LEU . 0.9 OUTLIER -81.37 -48.86 11.39 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.428 -0.795 . . . . 0.0 109.612 179.549 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.782 HG12 ' SD ' ' B' ' 7' ' ' MET . 78.7 t -64.93 -26.89 41.13 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.343 -0.848 . . . . 0.0 109.994 -179.567 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' SER . . . . . 1.002 ' O ' HG22 ' A' ' 82' ' ' THR . 1.4 m -73.36 -54.45 8.3 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.18 -0.95 . . . . 0.0 110.447 -179.318 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.537 ' SD ' ' CG1' ' A' ' 56' ' ' VAL . 7.8 ptp -52.04 -40.38 61.0 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.151 -0.968 . . . . 0.0 110.737 -178.831 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.74 HG21 HD13 ' A' ' 36' ' ' ILE . 3.3 m -73.56 -40.61 55.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 120.68 -1.262 . . . . 0.0 110.005 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.966 HG21 ' HG3' ' B' ' 7' ' ' MET . 11.0 m -67.24 -16.35 64.24 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.989 -1.069 . . . . 0.0 109.247 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' THR . . . . . 1.002 HG22 ' O ' ' A' ' 78' ' ' SER . 2.2 t -132.07 26.53 4.57 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.305 -0.872 . . . . 0.0 109.134 179.716 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.93 ' HB1' ' HB2' ' A' ' 49' ' ' GLU . . . . . . . . 0 N--CA 1.488 1.459 0 O-C-N 121.399 -0.813 . . . . 0.0 109.282 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 1' ' ' SER . . . . . 0.444 ' OG ' ' HB3' ' B' ' 4' ' ' GLU . 78.0 p . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 121.23 0.538 . . . . 0.0 109.602 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.945 ' HB3' HG22 ' A' ' 13' ' ' VAL . 2.6 tp10 -79.84 -38.8 32.04 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.319 -0.863 . . . . 0.0 109.668 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.918 HD22 ' CD1' ' A' ' 35' ' ' LEU . 11.1 tp -79.53 -50.65 10.41 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.345 -0.847 . . . . 0.0 109.754 -179.702 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 4' ' ' GLU . . . . . 0.837 ' HA ' HD23 ' A' ' 40' ' ' LEU . 6.0 tm-20 -54.48 -30.97 54.84 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.19 -0.944 . . . . 0.0 110.188 -179.325 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.582 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 3.2 mttt -81.0 -49.54 10.8 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.762 -1.212 . . . . 0.0 110.26 -179.53 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.633 ' HB2' ' HB3' ' A' ' 9' ' ' ALA . . . -71.72 -63.26 1.16 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.135 -0.978 . . . . 0.0 110.342 -179.235 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 7' ' ' MET . . . . . 0.966 ' HG3' HG21 ' A' ' 81' ' ' THR . 7.3 tpt -48.13 -53.76 15.58 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.378 -0.826 . . . . 0.0 109.88 -179.427 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.543 ' CG2' ' O ' ' B' ' 4' ' ' GLU . 18.1 t -64.68 -28.74 45.53 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.567 0 O-C-N 121.322 -0.861 . . . . 0.0 109.563 -179.405 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.619 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . . . -66.45 -33.07 74.88 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.137 -0.977 . . . . 0.0 108.927 179.445 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 1.006 HD13 ' HE1' ' B' ' 74' ' ' MET . 0.4 OUTLIER -60.69 -50.22 74.36 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 179.502 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.668 HD11 HG22 ' A' ' 81' ' ' THR . 10.3 mt -50.15 -27.76 4.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.055 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -66.94 -48.08 69.69 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.658 -0.651 . . . . 0.0 109.362 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' VAL . . . . . 0.926 HG22 ' HB3' ' A' ' 2' ' ' GLU . 47.7 t -47.2 -45.17 8.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.397 -0.814 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.402 ' CE1' ' HD1' ' B' ' 70' ' ' PHE . 1.2 t80 -55.3 -54.46 43.25 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.203 -0.936 . . . . 0.0 109.499 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -59.48 -21.14 59.69 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.151 -0.968 . . . . 0.0 108.997 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -79.77 -29.88 40.56 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.476 -0.765 . . . . 0.0 109.436 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.538 ' CE2' HD21 ' B' ' 35' ' ' LEU . 73.2 m-85 -106.63 -80.23 0.56 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.313 -0.867 . . . . 0.0 109.584 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 18' ' ' SER . . . . . 0.408 ' C ' ' O ' ' B' ' 17' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.596 0 O-C-N 121.376 -0.827 . . . . 0.0 109.684 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 121.122 0.487 . . . . 0.0 109.735 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.418 ' O ' ' HG3' ' B' ' 26' ' ' LYS . 14.1 ptpt -150.57 151.53 32.73 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.093 -1.004 . . . . 0.0 109.662 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.71 -154.24 0.51 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.33 -0.856 . . . . 0.0 109.262 179.598 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.47 ' HG2' ' O ' ' B' ' 66' ' ' GLY . 3.9 mtmt -143.29 131.08 21.44 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.317 -0.864 . . . . 0.0 109.132 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.531 ' O ' ' CD2' ' B' ' 60' ' ' LEU . 0.6 OUTLIER -49.71 -27.19 4.47 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.157 -0.964 . . . . 0.0 109.499 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.459 ' OG ' ' O ' ' B' ' 64' ' ' GLY . 0.3 OUTLIER -68.31 -42.74 78.98 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.2 -0.937 . . . . 0.0 109.588 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.417 ' O ' ' HG3' ' B' ' 34' ' ' GLU . 30.8 tt0 -74.09 -23.12 59.29 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 179.532 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.833 HD13 ' HD2' ' B' ' 73' ' ' PHE . 8.2 tp -74.57 -34.44 62.9 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 178.723 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.895 ' HG3' HD13 ' B' ' 60' ' ' LEU . 54.8 tttt -60.57 -46.35 90.53 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 178.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.556 ' O ' ' CB ' ' B' ' 38' ' ' ASN . 0.0 OUTLIER -71.79 -30.31 65.4 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.181 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.879 ' CD1' HD22 ' A' ' 3' ' ' LEU . 0.2 OUTLIER -56.8 -40.62 76.28 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 179.27 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.741 HD13 HG21 ' B' ' 80' ' ' VAL . 0.4 OUTLIER -81.72 -61.22 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.314 -0.867 . . . . 0.0 110.372 179.877 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -66.14 -3.33 5.38 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.472 -0.767 . . . . 0.0 111.516 -178.233 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.556 ' CB ' ' O ' ' B' ' 34' ' ' GLU . 4.6 t30 -118.21 -75.66 0.58 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.713 -1.242 . . . . 0.0 109.623 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.505 ' HB3' ' HB3' ' A' ' 3' ' ' LEU . 6.5 mm-40 -47.91 -59.66 3.18 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.874 -1.141 . . . . 0.0 108.768 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.948 HD11 ' HG2' ' A' ' 7' ' ' MET . 10.0 mt -70.13 -99.02 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.194 -0.941 . . . . 0.0 108.621 179.336 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 2.4 t 68.05 2.43 3.17 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.077 -1.014 . . . . 0.0 110.534 179.342 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 42' ' ' HIS . . . . . 0.516 ' HB3' ' CE1' ' B' ' 43' ' ' PHE . 2.6 t-80 -62.23 -18.13 60.27 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.781 -1.199 . . . . 0.0 108.723 179.675 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 43' ' ' PHE . . . . . 0.527 ' O ' ' CB ' ' B' ' 44' ' ' LEU . 1.3 m-85 -128.2 -141.49 0.26 Allowed 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.527 ' CB ' ' O ' ' B' ' 43' ' ' PHE . 0.1 OUTLIER 77.39 49.66 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.047 -1.033 . . . . 0.0 109.937 179.589 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.538 ' OE1' ' N ' ' B' ' 45' ' ' GLU . 0.0 OUTLIER -107.03 -60.68 1.65 Allowed 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 106.961 -1.496 . . . . 0.0 106.961 178.716 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 46' ' ' GLU . . . . . 0.483 ' O ' ' HB ' ' B' ' 47' ' ' ILE . 2.3 mt-10 -113.14 27.62 9.46 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 177.399 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.483 ' HB ' ' O ' ' B' ' 46' ' ' GLU . 1.0 OUTLIER 66.75 143.69 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 -179.037 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.758 ' HB2' ' HB3' ' B' ' 83' ' ' ALA . 4.1 mttt -77.46 -74.16 0.27 Allowed 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.358 -0.839 . . . . 0.0 109.309 -179.159 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.9 ' HB2' ' HB1' ' B' ' 83' ' ' ALA . 0.0 OUTLIER -122.49 106.9 11.44 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.906 -1.121 . . . . 0.0 108.861 179.252 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 50' ' ' GLN . . . . . 0.526 ' O ' ' HB2' ' B' ' 54' ' ' ASP . 4.3 tm0? -46.64 -32.78 3.73 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 120.953 -1.092 . . . . 0.0 109.019 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.48 ' HB2' ' OE2' ' B' ' 49' ' ' GLU . 0.1 OUTLIER -82.13 -63.86 1.3 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.353 -0.842 . . . . 0.0 110.847 -179.72 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.452 HG23 ' HG3' ' B' ' 49' ' ' GLU . 5.7 t -53.93 -60.31 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 O-C-N 120.792 -1.192 . . . . 0.0 108.825 -179.526 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 49.7 t -54.46 -25.4 14.18 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.603 0 O-C-N 121.681 -0.637 . . . . 0.0 109.99 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 54' ' ' ASP . . . . . 0.526 ' HB2' ' O ' ' B' ' 50' ' ' GLN . 1.7 m-20 -69.21 -38.83 78.78 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.986 -1.071 . . . . 0.0 109.945 -179.741 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.88 -49.1 61.11 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.134 -0.979 . . . . 0.0 111.275 -178.517 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.647 HG21 ' CG1' ' B' ' 80' ' ' VAL . 34.2 m -71.82 -45.96 63.09 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.406 0 O-C-N 120.603 -1.311 . . . . 0.0 109.29 -179.372 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.608 ' N ' HG23 ' B' ' 56' ' ' VAL . 39.7 tpp -65.16 -24.72 67.47 Favored 'General case' 0 C--N 1.296 -1.759 0 O-C-N 121.52 -0.738 . . . . 0.0 109.292 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 58' ' ' GLU . . . . . 0.506 ' HB2' ' O ' ' B' ' 54' ' ' ASP . 9.8 mt-10 -75.66 -55.95 5.16 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.093 -1.004 . . . . 0.0 109.274 179.581 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.92 -28.14 67.35 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.121 -0.987 . . . . 0.0 108.383 179.748 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.895 HD13 ' HG3' ' B' ' 33' ' ' LYS . 12.0 mt -66.65 -55.69 14.08 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 179.697 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.0 -0.54 35.83 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.492 -0.755 . . . . 0.0 109.72 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.492 ' HB2' ' O ' ' B' ' 58' ' ' GLU . 5.5 tt0 -77.46 -39.89 45.06 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.106 -0.996 . . . . 0.0 109.64 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.32 -47.26 0.52 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.277 -0.89 . . . . 0.0 109.786 -179.751 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 64' ' ' GLY . . . . . 0.459 ' O ' ' OG ' ' B' ' 30' ' ' SER . . . 58.88 14.26 22.62 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.679 -1.369 . . . . 0.0 109.679 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -134.36 10.25 3.77 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.084 -1.245 . . . . 0.0 109.424 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 66' ' ' GLY . . . . . 0.47 ' O ' ' HG2' ' B' ' 28' ' ' LYS . . . -89.64 157.41 26.48 Favored Glycine 0 N--CA 1.489 2.224 0 N-CA-C 109.801 -1.32 . . . . 0.0 109.801 -179.697 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -89.92 134.41 34.23 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.292 -1.122 . . . . 0.0 109.426 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.83 178.93 4.27 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.277 -0.889 . . . . 0.0 109.406 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.407 ' H ' ' HB2' ' B' ' 72' ' ' GLU . 3.4 m-20 -118.2 176.6 5.15 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.273 -0.892 . . . . 0.0 109.305 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.48 ' O ' ' HB2' ' B' ' 74' ' ' MET . 6.8 t80 -70.51 -40.69 73.36 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.293 -0.88 . . . . 0.0 109.221 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.485 ' HG2' ' OG1' ' A' ' 82' ' ' THR . 0.0 OUTLIER -71.65 -27.5 63.11 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.272 -0.893 . . . . 0.0 109.728 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.407 ' HB2' ' H ' ' B' ' 69' ' ' ASP . 0.4 OUTLIER -74.67 -61.3 1.92 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.171 -0.956 . . . . 0.0 108.716 179.704 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.833 ' HD2' HD13 ' B' ' 32' ' ' LEU . 0.0 OUTLIER -53.18 -25.02 12.21 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.403 -0.811 . . . . 0.0 109.126 179.531 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 74' ' ' MET . . . . . 1.006 ' HE1' HD13 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -76.38 -57.07 4.08 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.938 -1.101 . . . . 0.0 109.586 -179.819 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.489 ' O ' ' HG2' ' B' ' 79' ' ' MET . . . -64.0 -13.03 43.44 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.284 -0.885 . . . . 0.0 108.949 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.634 ' HB3' HD21 ' B' ' 32' ' ' LEU . 0.9 OUTLIER -81.42 -48.84 11.38 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.397 -0.814 . . . . 0.0 109.571 179.553 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.772 HG12 ' SD ' ' A' ' 7' ' ' MET . 79.2 t -64.8 -26.96 41.37 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.345 -0.847 . . . . 0.0 109.991 -179.612 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 78' ' ' SER . . . . . 1.018 ' O ' HG22 ' B' ' 82' ' ' THR . 1.4 m -73.35 -54.58 7.99 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.108 -0.995 . . . . 0.0 110.34 -179.276 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 79' ' ' MET . . . . . 0.536 ' SD ' ' CG1' ' B' ' 56' ' ' VAL . 7.8 ptp -52.07 -40.35 61.07 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.042 -1.036 . . . . 0.0 110.66 -178.731 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.741 HG21 HD13 ' B' ' 36' ' ' ILE . 3.3 m -73.63 -40.48 54.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 120.609 -1.307 . . . . 0.0 109.981 -179.742 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 81' ' ' THR . . . . . 1.005 HG21 ' HG3' ' A' ' 7' ' ' MET . 11.2 m -67.25 -16.28 64.19 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.947 -1.096 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 82' ' ' THR . . . . . 1.018 HG22 ' O ' ' B' ' 78' ' ' SER . 2.2 t -132.02 26.34 4.59 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.272 -0.892 . . . . 0.0 109.133 179.754 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.9 ' HB1' ' HB2' ' B' ' 49' ' ' GLU . . . . . . . . 0 N--CA 1.488 1.465 0 O-C-N 121.323 -0.861 . . . . 0.0 109.344 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 1' ' ' SER . . . . . 0.539 ' CB ' ' HG2' ' B' ' 39' ' ' GLU . 1.3 p . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.25 0.548 . . . . 0.0 109.593 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.971 ' HB3' HG22 ' B' ' 13' ' ' VAL . 0.3 OUTLIER -80.13 -30.77 39.07 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.179 -0.951 . . . . 0.0 110.312 -179.404 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 1.012 HD22 HD12 ' B' ' 35' ' ' LEU . 15.9 tp -80.35 -53.23 6.81 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.126 -0.984 . . . . 0.0 110.301 -179.199 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.563 ' O ' HG23 ' A' ' 8' ' ' VAL . 2.0 tt0 -53.82 -51.36 63.8 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 120.987 -1.07 . . . . 0.0 109.991 -179.019 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.656 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 5.6 mmpt? -64.27 -34.34 77.89 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.987 -1.07 . . . . 0.0 110.446 -179.254 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.605 ' CB ' ' HB3' ' B' ' 9' ' ' ALA . . . -80.02 -72.75 0.39 Allowed 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.028 -1.045 . . . . 0.0 110.21 -179.263 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' MET . . . . . 1.024 ' HE2' HG12 ' B' ' 77' ' ' VAL . 12.3 tpp -43.61 -49.59 7.58 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.411 -0.805 . . . . 0.0 109.868 -179.551 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 4' ' ' GLU . 13.5 t -67.05 -34.58 70.71 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.641 0 O-C-N 121.449 -0.782 . . . . 0.0 109.911 -179.051 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.656 ' HB2' ' O ' ' A' ' 5' ' ' LYS . . . -57.86 -41.07 81.67 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.013 -1.054 . . . . 0.0 108.871 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.505 ' CD1' ' HA ' ' B' ' 7' ' ' MET . 0.1 OUTLIER -56.74 -53.27 59.68 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.279 -0.888 . . . . 0.0 108.779 179.317 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.662 ' H ' HD12 ' A' ' 11' ' ' ILE . 2.6 mp -50.01 -28.94 4.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.339 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -63.7 -49.66 72.23 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.506 -0.746 . . . . 0.0 109.054 179.519 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.946 HG22 ' HB3' ' B' ' 2' ' ' GLU . 71.3 t -49.87 -37.47 12.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.368 -0.832 . . . . 0.0 109.102 179.747 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.466 ' CD1' ' HB3' ' A' ' 18' ' ' SER . 2.4 t80 -60.39 -41.64 94.26 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.386 -0.822 . . . . 0.0 109.707 -179.803 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -70.05 -19.07 63.31 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.128 -0.982 . . . . 0.0 109.411 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -79.19 -54.38 6.04 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.344 -0.847 . . . . 0.0 109.609 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.558 ' CD1' HD21 ' A' ' 35' ' ' LEU . 57.7 m-85 -79.52 -54.96 5.39 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.256 -0.902 . . . . 0.0 109.419 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.466 ' HB3' ' CD1' ' A' ' 14' ' ' PHE . 0.8 OUTLIER . . . . . 0 N--CA 1.489 1.523 0 O-C-N 121.362 -0.836 . . . . 0.0 109.439 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.546 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.315 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt -132.16 131.91 42.69 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.246 -0.909 . . . . 0.0 109.217 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.705 HD13 ' CD1' ' A' ' 73' ' ' PHE . 0.4 OUTLIER -94.98 -155.7 0.48 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.199 -0.938 . . . . 0.0 109.484 -179.882 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.409 ' HG2' ' O ' ' A' ' 66' ' ' GLY . 11.2 mtpt -149.64 164.09 36.13 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.292 -0.88 . . . . 0.0 109.208 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.518 ' O ' ' CD2' ' A' ' 60' ' ' LEU . 6.6 mtpp -75.66 -26.5 57.72 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.109 -0.995 . . . . 0.0 109.393 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.475 ' HB2' ' O ' ' A' ' 64' ' ' GLY . 44.6 t -80.04 -35.46 37.17 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.281 -0.887 . . . . 0.0 109.332 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.504 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 7.2 tt0 -85.48 -19.02 31.87 Favored 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.061 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.92 HD13 ' CD1' ' A' ' 73' ' ' PHE . 13.3 tp -80.38 -38.92 29.42 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 178.295 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.65 ' HB2' HD22 ' A' ' 60' ' ' LEU . 1.7 tttt -59.44 -38.25 80.21 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 179.017 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.524 ' HG3' ' N ' ' A' ' 35' ' ' LEU . 9.8 pt-20 -77.91 -40.5 39.55 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 179.714 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.99 HD12 HD22 ' B' ' 3' ' ' LEU . 0.1 OUTLIER -50.67 -45.78 58.28 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-O 121.299 0.571 . . . . 0.0 109.487 179.696 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.829 ' CG2' HD22 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -80.65 -53.14 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.233 -0.917 . . . . 0.0 110.161 -179.767 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -65.75 -2.05 3.35 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.384 -0.822 . . . . 0.0 111.29 -178.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.447 ' HB2' ' O ' ' A' ' 34' ' ' GLU . 32.3 t30 -109.0 -56.79 2.23 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.749 -1.22 . . . . 0.0 109.924 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.551 ' CB ' ' HB3' ' B' ' 3' ' ' LEU . 1.8 mt-10 -105.06 27.29 8.33 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.279 -0.888 . . . . 0.0 110.012 -179.683 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.829 HD22 ' CG2' ' A' ' 36' ' ' ILE . 0.4 OUTLIER -148.11 -30.97 0.29 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.142 -0.974 . . . . 0.0 110.379 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.19 -10.05 2.57 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.014 -1.054 . . . . 0.0 110.382 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 8.9 t-80 -60.1 -22.7 63.09 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.833 -1.167 . . . . 0.0 109.228 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.494 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 92.7 m-85 -95.73 -13.96 23.75 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.281 -0.887 . . . . 0.0 109.68 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -64.67 131.46 46.99 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.184 -0.948 . . . . 0.0 109.515 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' A' ' 43' ' ' PHE . 0.4 OUTLIER -179.68 -36.05 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.258 -0.901 . . . . 0.0 109.59 179.921 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.445 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 0.9 OUTLIER -121.1 -46.09 2.33 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.239 -0.913 . . . . 0.0 109.758 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.445 ' HB ' ' O ' ' A' ' 46' ' ' GLU . 8.7 mt 68.4 124.28 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.185 -0.947 . . . . 0.0 109.817 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -108.7 -41.12 4.87 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.304 -0.873 . . . . 0.0 109.177 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.494 ' HB3' ' HB ' ' A' ' 52' ' ' VAL . 2.2 mm-40 -99.86 87.49 3.53 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.339 -0.85 . . . . 0.0 109.149 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.534 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 5.8 tp60 -59.97 -24.02 64.07 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.259 -0.9 . . . . 0.0 109.791 -179.626 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.442 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 25.5 mt-10 -80.22 -35.29 36.39 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.107 -0.996 . . . . 0.0 109.954 -179.782 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.639 HG11 ' O ' ' A' ' 79' ' ' MET . 69.8 t -68.39 -53.61 27.23 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.164 -0.96 . . . . 0.0 109.521 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 48.5 t -69.7 -30.71 45.87 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.249 -0.907 . . . . 0.0 109.564 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.534 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 16.2 t0 -76.74 -22.04 54.39 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.198 -0.939 . . . . 0.0 108.964 179.659 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.442 ' HB2' ' O ' ' A' ' 51' ' ' GLU . 5.2 mtpt -80.75 -49.97 10.47 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.242 -0.911 . . . . 0.0 109.618 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.708 HG21 ' CG1' ' A' ' 80' ' ' VAL . 33.7 m -69.62 -46.46 75.24 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.307 0 O-C-N 121.064 -1.022 . . . . 0.0 108.942 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.579 ' N ' HG23 ' A' ' 56' ' ' VAL . 23.3 tpp -63.3 -24.13 67.73 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.19 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.522 ' CG ' ' O ' ' A' ' 54' ' ' ASP . 7.9 mt-10 -74.38 -57.24 4.07 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.423 -0.798 . . . . 0.0 109.299 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.458 ' O ' ' HE2' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -60.79 -24.01 65.47 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 179.512 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.65 HD22 ' HB2' ' A' ' 33' ' ' LYS . 11.3 mt -70.29 -53.62 16.08 Favored 'General case' 0 C--N 1.302 -1.468 0 CA-C-O 121.427 0.632 . . . . 0.0 109.555 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -75.61 -10.3 59.32 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.504 -0.747 . . . . 0.0 109.87 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.04 -52.85 12.8 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.12 -0.987 . . . . 0.0 109.852 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.502 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 3.4 t70 -139.61 54.58 1.68 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.304 -0.873 . . . . 0.0 109.562 -179.676 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.475 ' O ' ' HB2' ' A' ' 30' ' ' SER . . . -40.34 -28.06 0.17 Allowed Glycine 0 N--CA 1.493 2.444 0 N-CA-C 110.017 -1.233 . . . . 0.0 110.017 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 63' ' ' ASP . 20.6 t70 -89.56 39.88 0.97 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.135 -1.215 . . . . 0.0 109.454 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.409 ' O ' ' HG2' ' A' ' 28' ' ' LYS . . . -109.37 -171.04 20.56 Favored Glycine 0 N--CA 1.488 2.109 0 N-CA-C 109.741 -1.344 . . . . 0.0 109.741 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 67' ' ' GLU . 7.6 pt-20 -124.45 137.19 54.46 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.316 -1.108 . . . . 0.0 109.59 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 95.4 m -107.92 172.45 6.82 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.33 -0.856 . . . . 0.0 109.143 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -111.16 -175.41 2.7 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.188 -0.945 . . . . 0.0 109.505 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.505 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 9.1 p90 -77.03 -39.99 48.09 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.342 -0.849 . . . . 0.0 109.565 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.675 ' HA ' HG21 ' B' ' 82' ' ' THR . 0.7 OUTLIER -79.91 -26.5 40.15 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.127 -0.983 . . . . 0.0 109.515 -179.895 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.498 ' N ' ' HG3' ' A' ' 71' ' ' GLN . 1.6 mt-10 -76.66 -54.79 6.18 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.259 -0.901 . . . . 0.0 109.163 179.608 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.92 ' CD1' HD13 ' A' ' 32' ' ' LEU . 15.8 t80 -58.3 -17.87 22.93 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 179.234 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.632 ' HA ' ' CE ' ' A' ' 74' ' ' MET . 0.2 OUTLIER -79.95 -63.82 1.33 Allowed 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.507 -0.746 . . . . 0.0 109.337 179.62 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.478 ' O ' ' HG3' ' A' ' 79' ' ' MET . . . -62.28 -13.01 23.92 Favored 'General case' 0 C--N 1.295 -1.767 0 C-N-CA 119.431 -0.908 . . . . 0.0 109.409 -179.559 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.616 ' CD1' HG12 ' A' ' 56' ' ' VAL . 0.3 OUTLIER -79.17 -44.73 21.33 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.289 -0.882 . . . . 0.0 108.875 179.574 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.968 HG12 ' HE2' ' B' ' 7' ' ' MET . 74.5 t -70.2 -27.58 32.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.542 -0.724 . . . . 0.0 109.357 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.918 ' HA ' ' HE3' ' B' ' 7' ' ' MET . 45.3 m -78.74 -51.64 9.51 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.4 -0.813 . . . . 0.0 109.965 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.639 ' O ' HG11 ' A' ' 52' ' ' VAL . 1.1 mmm -46.05 -39.32 9.05 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.193 -0.942 . . . . 0.0 110.073 -179.705 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.708 ' CG1' HG21 ' A' ' 56' ' ' VAL . 35.5 m -76.86 -48.45 25.68 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.181 -0.95 . . . . 0.0 110.347 -179.251 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.714 HG21 ' HG3' ' B' ' 7' ' ' MET . 0.4 OUTLIER -64.28 -10.78 26.07 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.026 -1.046 . . . . 0.0 109.619 -179.75 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.65 HG21 ' HA ' ' B' ' 71' ' ' GLN . 0.9 OUTLIER -99.54 -37.14 9.29 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.206 -0.934 . . . . 0.0 109.0 179.709 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.407 ' HB2' HG11 ' A' ' 52' ' ' VAL . . . . . . . . 0 N--CA 1.49 1.567 0 O-C-N 121.439 -0.788 . . . . 0.0 109.394 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 1' ' ' SER . . . . . 0.547 ' CB ' ' HG2' ' A' ' 39' ' ' GLU . 1.3 p . . . . . 0 N--CA 1.49 1.556 0 CA-C-O 121.175 0.512 . . . . 0.0 109.656 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.946 ' HB3' HG22 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -80.11 -30.83 39.16 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.141 -0.974 . . . . 0.0 110.407 -179.432 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.99 HD22 HD12 ' A' ' 35' ' ' LEU . 15.8 tp -80.33 -53.2 6.85 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.173 -0.955 . . . . 0.0 110.336 -179.268 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 4' ' ' GLU . . . . . 0.577 ' O ' HG23 ' B' ' 8' ' ' VAL . 2.0 tt0 -53.85 -51.37 63.8 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 121.033 -1.042 . . . . 0.0 109.988 -179.038 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.659 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 5.6 mmpt? -64.2 -34.33 77.84 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.017 -1.052 . . . . 0.0 110.448 -179.249 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.588 ' CB ' ' HB3' ' A' ' 9' ' ' ALA . . . -80.12 -72.65 0.4 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.071 -1.018 . . . . 0.0 110.253 -179.217 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 7' ' ' MET . . . . . 0.968 ' HE2' HG12 ' A' ' 77' ' ' VAL . 12.6 tpp -43.63 -49.54 7.64 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.428 -0.795 . . . . 0.0 109.927 -179.605 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.577 HG23 ' O ' ' B' ' 4' ' ' GLU . 13.5 t -67.08 -34.51 70.18 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 O-C-N 121.383 -0.823 . . . . 0.0 109.955 -179.064 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.659 ' HB2' ' O ' ' B' ' 5' ' ' LYS . . . -57.9 -41.01 81.69 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.097 -1.002 . . . . 0.0 108.905 179.499 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.526 ' CD1' ' HA ' ' A' ' 7' ' ' MET . 0.1 OUTLIER -56.8 -53.24 60.16 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.284 -0.885 . . . . 0.0 108.748 179.34 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.664 ' H ' HD12 ' B' ' 11' ' ' ILE . 2.6 mp -49.97 -29.02 4.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.154 -0.966 . . . . 0.0 108.409 179.284 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -63.63 -49.68 72.35 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.456 -0.778 . . . . 0.0 109.096 179.523 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' VAL . . . . . 0.971 HG22 ' HB3' ' A' ' 2' ' ' GLU . 71.0 t -49.71 -37.57 12.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.351 -0.843 . . . . 0.0 109.167 179.69 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.46 ' CD1' ' HB3' ' B' ' 18' ' ' SER . 2.4 t80 -60.49 -41.55 94.49 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.384 -0.823 . . . . 0.0 109.724 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -70.0 -19.05 63.35 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.175 -0.953 . . . . 0.0 109.462 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -79.2 -54.45 5.97 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.37 -0.831 . . . . 0.0 109.583 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.553 ' CD1' HD21 ' B' ' 35' ' ' LEU . 58.0 m-85 -79.43 -54.99 5.39 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.193 -0.942 . . . . 0.0 109.422 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 18' ' ' SER . . . . . 0.46 ' HB3' ' CD1' ' B' ' 14' ' ' PHE . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.544 0 O-C-N 121.41 -0.806 . . . . 0.0 109.384 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 25' ' ' HIS . . . . . 0.545 ' CG ' ' O ' ' B' ' 25' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt -132.07 131.91 42.85 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.184 -0.948 . . . . 0.0 109.249 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.707 HD13 ' CD1' ' B' ' 73' ' ' PHE . 0.4 OUTLIER -95.05 -155.65 0.48 Allowed 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.086 -1.009 . . . . 0.0 109.481 -179.911 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 11.2 mtpt -149.7 164.05 36.26 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.298 -0.876 . . . . 0.0 109.218 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.52 ' O ' ' CD2' ' B' ' 60' ' ' LEU . 6.6 mtpp -75.66 -26.52 57.76 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.154 -0.966 . . . . 0.0 109.348 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.484 ' HB2' ' O ' ' B' ' 64' ' ' GLY . 44.5 t -80.0 -35.55 37.23 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.368 -0.832 . . . . 0.0 109.294 179.728 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.513 ' O ' ' HG2' ' B' ' 34' ' ' GLU . 7.3 tt0 -85.45 -19.08 31.83 Favored 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 179.144 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.918 HD13 ' CD1' ' B' ' 73' ' ' PHE . 13.3 tp -80.49 -38.84 29.09 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 178.337 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.646 ' HB2' HD22 ' B' ' 60' ' ' LEU . 1.7 tttt -59.43 -38.25 80.18 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 179.025 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.543 ' HG3' ' N ' ' B' ' 35' ' ' LEU . 9.9 pt-20 -77.97 -40.56 38.93 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 179.783 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 1.012 HD12 HD22 ' A' ' 3' ' ' LEU . 0.1 OUTLIER -50.66 -45.78 58.18 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.641 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.814 ' CG2' HD22 ' B' ' 40' ' ' LEU . 0.4 OUTLIER -80.68 -53.24 12.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.239 -0.913 . . . . 0.0 110.056 -179.757 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -65.62 -2.19 3.31 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.424 -0.797 . . . . 0.0 111.271 -178.785 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.439 ' HB2' ' O ' ' B' ' 34' ' ' GLU . 32.4 t30 -108.97 -56.85 2.22 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.796 -1.19 . . . . 0.0 109.887 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.539 ' HG2' ' CB ' ' A' ' 1' ' ' SER . 1.8 mt-10 -104.97 27.19 8.38 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.164 -0.96 . . . . 0.0 110.012 -179.617 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.814 HD22 ' CG2' ' B' ' 36' ' ' ILE . 0.4 OUTLIER -148.15 -30.93 0.29 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.15 -0.969 . . . . 0.0 110.385 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.12 -10.1 2.5 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.058 -1.026 . . . . 0.0 110.444 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -60.01 -22.72 62.96 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.894 -1.129 . . . . 0.0 109.367 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 43' ' ' PHE . . . . . 0.499 ' O ' ' HG2' ' B' ' 45' ' ' GLU . 92.5 m-85 -95.71 -13.83 23.89 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.235 -0.916 . . . . 0.0 109.733 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -64.67 131.52 47.14 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.238 -0.914 . . . . 0.0 109.523 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.499 ' HG2' ' O ' ' B' ' 43' ' ' PHE . 0.4 OUTLIER -179.71 -36.13 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.187 -0.946 . . . . 0.0 109.637 179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 46' ' ' GLU . . . . . 0.44 ' O ' ' HB ' ' B' ' 47' ' ' ILE . 0.9 OUTLIER -121.03 -46.09 2.34 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.217 -0.927 . . . . 0.0 109.764 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.44 ' HB ' ' O ' ' B' ' 46' ' ' GLU . 8.7 mt 68.37 124.2 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.18 -0.95 . . . . 0.0 109.848 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -108.65 -41.23 4.85 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.317 -0.864 . . . . 0.0 109.103 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.506 ' HB3' ' HB ' ' B' ' 52' ' ' VAL . 2.2 mm-40 -99.68 87.51 3.58 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.291 -0.88 . . . . 0.0 109.212 179.742 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 50' ' ' GLN . . . . . 0.526 ' O ' ' CB ' ' B' ' 54' ' ' ASP . 5.9 tp60 -59.93 -24.07 64.05 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.334 -0.854 . . . . 0.0 109.809 -179.673 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.44 ' O ' ' HB2' ' B' ' 55' ' ' LYS . 25.4 mt-10 -80.16 -35.38 36.6 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.188 -0.945 . . . . 0.0 109.882 -179.738 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.63 HG11 ' O ' ' B' ' 79' ' ' MET . 70.1 t -68.35 -53.56 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.126 -0.984 . . . . 0.0 109.508 -179.816 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 48.0 t -69.81 -30.73 45.7 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 121.277 -0.889 . . . . 0.0 109.47 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 54' ' ' ASP . . . . . 0.526 ' CB ' ' O ' ' B' ' 50' ' ' GLN . 16.3 t0 -76.68 -22.02 54.56 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.142 -0.974 . . . . 0.0 109.037 179.623 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 55' ' ' LYS . . . . . 0.44 ' HB2' ' O ' ' B' ' 51' ' ' GLU . 5.2 mtpt -80.75 -50.01 10.42 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.417 -0.802 . . . . 0.0 109.675 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.698 HG21 ' CG1' ' B' ' 80' ' ' VAL . 33.3 m -69.6 -46.47 75.34 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.357 0 O-C-N 121.117 -0.989 . . . . 0.0 108.882 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.584 ' N ' HG23 ' B' ' 56' ' ' VAL . 23.3 tpp -63.37 -24.08 67.69 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.779 -0.822 . . . . 0.0 108.779 179.211 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 58' ' ' GLU . . . . . 0.521 ' CG ' ' O ' ' B' ' 54' ' ' ASP . 7.8 mt-10 -74.32 -57.12 4.15 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.327 -0.858 . . . . 0.0 109.322 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 59' ' ' THR . . . . . 0.459 ' O ' ' HE2' ' B' ' 29' ' ' LYS . 0.2 OUTLIER -60.94 -23.93 65.67 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.108 -0.995 . . . . 0.0 108.492 179.525 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.646 HD22 ' HB2' ' B' ' 33' ' ' LYS . 11.3 mt -70.18 -53.8 15.61 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-O 121.384 0.611 . . . . 0.0 109.527 179.708 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -75.45 -10.36 59.38 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.622 -0.674 . . . . 0.0 109.982 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.08 -52.79 12.95 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.243 -0.91 . . . . 0.0 109.849 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.491 ' O ' ' HD3' ' B' ' 29' ' ' LYS . 3.3 t70 -139.57 54.49 1.68 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.334 -0.854 . . . . 0.0 109.648 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 64' ' ' GLY . . . . . 0.484 ' O ' ' HB2' ' B' ' 30' ' ' SER . . . -40.32 -28.04 0.17 Allowed Glycine 0 N--CA 1.493 2.449 0 N-CA-C 110.066 -1.213 . . . . 0.0 110.066 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' B' ' 63' ' ' ASP . 20.7 t70 -89.54 39.9 0.97 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.166 -1.197 . . . . 0.0 109.417 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -109.38 -171.04 20.55 Favored Glycine 0 N--CA 1.487 2.073 0 N-CA-C 109.741 -1.343 . . . . 0.0 109.741 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' B' ' 67' ' ' GLU . 7.6 pt-20 -124.42 137.26 54.46 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.218 -1.166 . . . . 0.0 109.556 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 95.3 m -107.98 172.38 6.87 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.242 -0.911 . . . . 0.0 109.144 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -111.04 -175.32 2.68 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.219 -0.925 . . . . 0.0 109.61 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.513 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 9.0 p90 -77.15 -39.85 47.66 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.308 -0.87 . . . . 0.0 109.56 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.65 ' HA ' HG21 ' A' ' 82' ' ' THR . 0.7 OUTLIER -80.05 -26.44 39.72 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.2 -0.937 . . . . 0.0 109.52 -179.907 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.504 ' N ' ' HG3' ' B' ' 71' ' ' GLN . 1.6 mt-10 -76.69 -54.8 6.16 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.169 -0.957 . . . . 0.0 109.081 179.654 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.918 ' CD1' HD13 ' B' ' 32' ' ' LEU . 16.0 t80 -58.26 -17.96 23.13 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 179.184 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.627 ' HA ' ' CE ' ' B' ' 74' ' ' MET . 0.2 OUTLIER -79.79 -63.87 1.32 Allowed 'General case' 0 N--CA 1.486 1.366 0 O-C-N 121.42 -0.8 . . . . 0.0 109.304 179.61 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.483 ' O ' ' HG3' ' B' ' 79' ' ' MET . . . -62.48 -12.89 24.78 Favored 'General case' 0 C--N 1.296 -1.744 0 C-N-CA 119.444 -0.903 . . . . 0.0 109.37 -179.403 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.621 ' CD1' HG12 ' B' ' 56' ' ' VAL . 0.3 OUTLIER -79.15 -44.81 21.22 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.324 -0.86 . . . . 0.0 108.763 179.548 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 1.024 HG12 ' HE2' ' A' ' 7' ' ' MET . 75.0 t -70.12 -27.65 33.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.564 -0.71 . . . . 0.0 109.36 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 78' ' ' SER . . . . . 0.907 ' HA ' ' HE3' ' A' ' 7' ' ' MET . 44.4 m -78.75 -51.53 9.66 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.305 -0.872 . . . . 0.0 109.987 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 79' ' ' MET . . . . . 0.63 ' O ' HG11 ' B' ' 52' ' ' VAL . 1.1 mmm -46.2 -39.22 9.42 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.291 -0.881 . . . . 0.0 110.049 -179.724 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.698 ' CG1' HG21 ' B' ' 56' ' ' VAL . 35.4 m -76.82 -48.5 25.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 121.205 -0.934 . . . . 0.0 110.319 -179.326 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.673 HG21 ' HG3' ' A' ' 7' ' ' MET . 0.4 OUTLIER -64.3 -10.75 26.02 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.117 -0.99 . . . . 0.0 109.622 -179.666 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.675 HG21 ' HA ' ' A' ' 71' ' ' GLN . 0.9 OUTLIER -99.56 -37.21 9.26 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.145 -0.972 . . . . 0.0 109.006 179.684 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.414 ' HB2' HG11 ' B' ' 52' ' ' VAL . . . . . . . . 0 N--CA 1.49 1.547 0 O-C-N 121.272 -0.892 . . . . 0.0 109.426 179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 1' ' ' SER . . . . . 0.503 ' OG ' ' HB3' ' A' ' 4' ' ' GLU . 36.5 p . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 121.283 0.563 . . . . 0.0 109.568 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.895 ' HB2' HG22 ' B' ' 13' ' ' VAL . 2.4 mm-40 -80.08 -44.14 20.55 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.272 -0.893 . . . . 0.0 109.912 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.748 HD11 HD21 ' B' ' 10' ' ' LEU . 6.3 tp -75.75 -47.53 25.56 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.357 -0.839 . . . . 0.0 110.537 -178.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.533 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 4.5 tt0 -64.19 -49.39 72.23 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.952 -1.092 . . . . 0.0 110.514 -179.031 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.665 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.3 OUTLIER -69.71 -36.37 75.85 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.001 -1.062 . . . . 0.0 110.339 -179.166 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.681 ' HB1' ' HB3' ' B' ' 9' ' ' ALA . . . -80.37 -67.62 0.75 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.014 -1.054 . . . . 0.0 110.154 -179.415 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.898 ' HE2' HG12 ' B' ' 77' ' ' VAL . 4.3 tpt -45.96 -53.48 9.93 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.308 -0.87 . . . . 0.0 109.501 -179.557 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.533 ' CG2' ' O ' ' A' ' 4' ' ' GLU . 21.4 t -62.12 -38.23 80.38 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.555 0 C-N-CA 119.64 -0.824 . . . . 0.0 109.158 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.681 ' HB3' ' HB1' ' B' ' 6' ' ' ALA . . . -53.13 -37.68 62.01 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 179.06 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.761 HD21 HD11 ' B' ' 3' ' ' LEU . 0.5 OUTLIER -55.25 -46.79 76.06 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 178.94 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.598 ' N ' HD12 ' A' ' 11' ' ' ILE . 1.7 mp -56.24 -33.05 36.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.026 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -60.11 -49.62 76.93 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.523 -0.735 . . . . 0.0 109.293 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.915 HG22 ' HB2' ' B' ' 2' ' ' GLU . 69.6 t -49.21 -49.28 17.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.191 -0.943 . . . . 0.0 109.059 179.719 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.551 ' CE1' ' CD2' ' A' ' 73' ' ' PHE . 0.6 OUTLIER -44.67 -59.76 2.33 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.471 -0.768 . . . . 0.0 109.65 -179.904 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 29.6 t-80 -54.55 -34.83 62.48 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.168 -0.958 . . . . 0.0 109.644 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.48 -36.85 83.79 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.309 -0.87 . . . . 0.0 109.783 -179.657 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.812 ' CD1' HD21 ' A' ' 35' ' ' LEU . 73.2 m-85 -102.34 15.7 28.41 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.251 -0.906 . . . . 0.0 109.533 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.614 0 O-C-N 121.161 -0.962 . . . . 0.0 109.465 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.145 0.497 . . . . 0.0 110.15 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.498 ' HE2' ' HB2' ' A' ' 67' ' ' GLU . 4.9 ptmm? -119.04 129.79 55.3 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.099 -1.001 . . . . 0.0 109.182 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.468 HD23 ' HB2' ' A' ' 32' ' ' LEU . 1.7 tp -94.16 -161.77 0.88 Allowed 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.336 -0.853 . . . . 0.0 109.478 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -139.94 177.5 7.92 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.252 -0.905 . . . . 0.0 109.217 179.777 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.454 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 10.0 mmtp -78.69 -32.39 47.0 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.194 -0.941 . . . . 0.0 109.077 179.727 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.1 t -81.03 -35.2 32.17 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.291 -0.881 . . . . 0.0 109.538 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.467 ' O ' ' HB2' ' A' ' 35' ' ' LEU . 9.3 tt0 -81.75 -25.81 35.05 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 179.694 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.501 ' O ' HG13 ' A' ' 36' ' ' ILE . 22.1 tp -79.82 -40.68 28.03 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 108.633 -0.876 . . . . 0.0 108.633 179.256 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.784 ' HG2' HD13 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -64.93 -37.13 86.63 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 179.413 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.559 ' HG3' ' N ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -78.01 -31.25 50.46 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.498 -0.926 . . . . 0.0 108.498 179.667 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.854 HD11 HG11 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -55.16 -44.62 75.33 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 178.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.525 HG22 ' HB3' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -81.33 -61.55 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 O-C-N 121.468 -0.77 . . . . 0.0 109.813 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -54.91 -11.14 0.57 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.243 -0.91 . . . . 0.0 111.563 -178.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.49 ' HB2' ' O ' ' A' ' 34' ' ' GLU . 8.3 t-20 -104.08 -58.24 1.91 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.466 -1.396 . . . . 0.0 110.45 -179.368 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.474 ' O ' ' HB3' ' B' ' 3' ' ' LEU . 52.9 mt-10 -111.45 31.58 6.02 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.908 -1.12 . . . . 0.0 110.354 -179.14 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.702 ' HB2' HD23 ' B' ' 3' ' ' LEU . 0.2 OUTLIER -153.02 -86.86 0.06 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.98 -1.075 . . . . 0.0 108.851 179.88 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.566 ' O ' ' CG ' ' A' ' 42' ' ' HIS . 2.8 m 63.29 7.01 2.65 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.783 -1.198 . . . . 0.0 110.543 179.155 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.566 ' CG ' ' O ' ' A' ' 41' ' ' SER . 31.4 p80 38.88 27.89 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.25 -0.906 . . . . 0.0 110.087 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.497 ' N ' ' O ' ' A' ' 41' ' ' SER . 36.2 m-85 60.23 105.74 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.082 -1.011 . . . . 0.0 109.449 -179.694 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.601 ' HG ' HD11 ' A' ' 47' ' ' ILE . 0.2 OUTLIER -91.11 126.11 36.1 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.322 -0.861 . . . . 0.0 109.605 -179.812 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.478 ' HG3' ' N ' ' A' ' 46' ' ' GLU . 8.5 pt-20 -163.86 -37.89 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.17 -0.956 . . . . 0.0 109.633 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.478 ' N ' ' HG3' ' A' ' 45' ' ' GLU . 0.1 OUTLIER -144.7 -54.1 0.32 Allowed 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.257 -0.902 . . . . 0.0 108.723 179.897 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.601 HD11 ' HG ' ' A' ' 44' ' ' LEU . 3.6 mt 63.2 100.53 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.39 -0.819 . . . . 0.0 109.664 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -89.7 -41.16 12.08 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.124 -0.985 . . . . 0.0 109.416 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.711 ' OE1' HG23 ' A' ' 52' ' ' VAL . 4.3 mm-40 -80.49 75.54 7.35 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.11 -0.994 . . . . 0.0 109.667 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.45 ' O ' ' HB2' ' A' ' 54' ' ' ASP . 37.3 tt0 -62.18 -23.46 66.62 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.244 -0.91 . . . . 0.0 109.519 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.33 -27.35 42.09 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.243 -0.91 . . . . 0.0 109.742 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.711 HG23 ' OE1' ' A' ' 49' ' ' GLU . 96.3 t -74.91 -45.64 42.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.171 -0.956 . . . . 0.0 109.605 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.524 HG23 ' CB ' ' A' ' 83' ' ' ALA . 57.3 t -78.69 -29.68 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.223 -0.923 . . . . 0.0 109.187 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.517 ' O ' ' CG ' ' A' ' 58' ' ' GLU . 5.5 m-20 -79.31 -22.6 44.35 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.21 -0.931 . . . . 0.0 108.828 179.32 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -80.56 -49.85 10.78 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.248 -0.908 . . . . 0.0 109.331 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.598 HG23 ' N ' ' A' ' 57' ' ' MET . 35.3 m -71.69 -46.16 63.28 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.307 0 O-C-N 121.093 -1.004 . . . . 0.0 108.615 179.431 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.598 ' N ' HG23 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -63.15 -23.14 67.3 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 179.118 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.517 ' CG ' ' O ' ' A' ' 54' ' ' ASP . 5.8 mt-10 -71.8 -52.62 16.62 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.216 -0.927 . . . . 0.0 109.342 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 33.1 m -62.74 -27.58 69.37 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.101 -0.999 . . . . 0.0 108.457 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.784 HD13 ' HG2' ' A' ' 33' ' ' LYS . 8.6 mt -67.35 -53.04 33.03 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-O 121.532 0.682 . . . . 0.0 109.786 179.666 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.31 -7.64 59.14 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.556 -0.715 . . . . 0.0 110.039 -179.653 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.432 ' HB2' ' O ' ' A' ' 58' ' ' GLU . 9.5 tp10 -80.37 -47.11 14.93 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.14 -0.975 . . . . 0.0 109.792 -179.646 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -87.06 -70.25 0.63 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.384 -0.822 . . . . 0.0 109.896 -179.664 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.36 -43.23 3.21 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.298 -1.521 . . . . 0.0 109.298 -179.66 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -118.76 36.03 4.58 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.254 -1.145 . . . . 0.0 109.293 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -100.88 168.15 20.16 Favored Glycine 0 N--CA 1.488 2.156 0 N-CA-C 109.662 -1.375 . . . . 0.0 109.662 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.498 ' HB2' ' HE2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -109.34 129.76 55.52 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.303 -1.116 . . . . 0.0 109.391 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.438 ' SG ' ' HD3' ' A' ' 29' ' ' LYS . 3.6 m -93.89 168.34 11.04 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.073 -1.017 . . . . 0.0 109.016 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -111.19 -161.14 0.74 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.142 -0.974 . . . . 0.0 109.277 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.47 ' O ' ' HB2' ' A' ' 74' ' ' MET . 0.1 OUTLIER -88.68 -43.67 11.15 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.18 -0.95 . . . . 0.0 108.978 179.92 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.486 ' HG2' ' HB ' ' B' ' 82' ' ' THR . 1.1 mt-30 -71.64 -22.8 61.64 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.293 -0.88 . . . . 0.0 109.639 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.501 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 0.5 OUTLIER -78.29 -53.71 7.01 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.221 -0.924 . . . . 0.0 109.675 -179.817 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.694 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.3 OUTLIER -63.88 -21.21 66.35 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.246 -0.909 . . . . 0.0 108.881 179.868 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.564 ' HA ' ' CE ' ' A' ' 74' ' ' MET . 0.7 OUTLIER -80.17 -53.01 7.08 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.068 -1.02 . . . . 0.0 109.513 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.539 ' O ' ' HG3' ' A' ' 79' ' ' MET . . . -70.89 -15.43 62.62 Favored 'General case' 0 C--N 1.299 -1.619 0 C-N-CA 119.521 -0.871 . . . . 0.0 109.117 -179.676 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.66 ' O ' HG22 ' A' ' 80' ' ' VAL . 1.0 OUTLIER -80.9 -40.31 24.87 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.496 -0.752 . . . . 0.0 109.515 179.598 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.905 HG12 ' HE2' ' B' ' 7' ' ' MET . 87.3 t -68.23 -26.19 33.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.254 -0.904 . . . . 0.0 109.701 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.442 ' O ' ' OG1' ' A' ' 82' ' ' THR . 49.7 m -80.67 -41.76 23.19 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.107 -0.996 . . . . 0.0 111.115 -179.199 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.539 ' HG3' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -59.9 -40.4 88.67 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.818 -1.176 . . . . 0.0 110.39 -178.941 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.66 HG22 ' O ' ' A' ' 76' ' ' PHE . 2.5 m -75.62 -43.01 41.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.143 -0.973 . . . . 0.0 111.14 -178.53 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.553 ' OG1' ' HE2' ' B' ' 7' ' ' MET . 1.6 m -61.83 -9.68 7.28 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.695 -1.253 . . . . 0.0 110.223 -179.494 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.503 ' HB ' ' HG2' ' B' ' 71' ' ' GLN . 0.3 OUTLIER -121.69 -0.0 9.75 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.998 -1.064 . . . . 0.0 109.937 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.524 ' CB ' HG23 ' A' ' 53' ' ' VAL . . . . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.146 -0.972 . . . . 0.0 110.024 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 1' ' ' SER . . . . . 0.499 ' OG ' ' HB3' ' B' ' 4' ' ' GLU . 37.1 p . . . . . 0 N--CA 1.49 1.575 0 CA-C-O 121.252 0.549 . . . . 0.0 109.618 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.915 ' HB2' HG22 ' A' ' 13' ' ' VAL . 2.4 mm-40 -80.08 -44.26 20.35 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.318 -0.864 . . . . 0.0 109.866 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.761 HD11 HD21 ' A' ' 10' ' ' LEU . 6.3 tp -75.71 -47.41 26.23 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.359 -0.838 . . . . 0.0 110.595 -178.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 4' ' ' GLU . . . . . 0.523 ' O ' ' CG2' ' B' ' 8' ' ' VAL . 4.5 tt0 -64.35 -49.35 72.02 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.927 -1.108 . . . . 0.0 110.457 -178.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.666 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 0.2 OUTLIER -69.69 -36.31 75.85 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.931 -1.105 . . . . 0.0 110.439 -179.192 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.681 ' HB1' ' HB3' ' A' ' 9' ' ' ALA . . . -80.4 -67.6 0.75 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.996 -1.065 . . . . 0.0 110.227 -179.518 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 7' ' ' MET . . . . . 0.905 ' HE2' HG12 ' A' ' 77' ' ' VAL . 4.3 tpt -45.88 -53.49 9.71 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.268 -0.895 . . . . 0.0 109.525 -179.617 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.523 ' CG2' ' O ' ' B' ' 4' ' ' GLU . 21.5 t -62.13 -38.21 80.35 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.578 0 C-N-CA 119.618 -0.833 . . . . 0.0 109.146 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.681 ' HB3' ' HB1' ' A' ' 6' ' ' ALA . . . -53.18 -37.56 62.03 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.069 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.748 HD21 HD11 ' A' ' 3' ' ' LEU . 0.5 OUTLIER -55.36 -46.77 76.45 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 178.922 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.599 ' N ' HD12 ' B' ' 11' ' ' ILE . 1.7 mp -56.32 -32.97 36.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 179.118 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -60.06 -49.71 76.58 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.617 -0.677 . . . . 0.0 109.319 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' VAL . . . . . 0.895 HG22 ' HB2' ' A' ' 2' ' ' GLU . 69.1 t -49.22 -49.22 17.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.264 -0.897 . . . . 0.0 109.089 179.726 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.549 ' CE1' ' CD2' ' B' ' 73' ' ' PHE . 0.6 OUTLIER -44.76 -59.73 2.37 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.386 -0.821 . . . . 0.0 109.628 -179.925 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 29.5 t-80 -54.61 -34.84 62.69 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.154 -0.966 . . . . 0.0 109.567 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.39 -36.88 83.69 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.234 -0.916 . . . . 0.0 109.761 -179.656 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.832 ' CD1' HD21 ' B' ' 35' ' ' LEU . 72.0 m-85 -102.3 15.6 28.68 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.127 -0.983 . . . . 0.0 109.606 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.594 0 O-C-N 121.197 -0.94 . . . . 0.0 109.521 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 121.089 0.471 . . . . 0.0 110.034 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.497 ' HE2' ' HB2' ' B' ' 67' ' ' GLU . 4.9 ptmm? -119.07 129.76 55.26 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.049 -1.032 . . . . 0.0 109.222 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.482 HD23 ' HB2' ' B' ' 32' ' ' LEU . 1.7 tp -94.17 -161.87 0.89 Allowed 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.322 -0.861 . . . . 0.0 109.403 -179.731 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.467 ' O ' ' CB ' ' B' ' 32' ' ' LEU . 0.2 OUTLIER -139.93 177.5 7.92 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.267 -0.896 . . . . 0.0 109.176 179.815 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.453 ' O ' ' HB2' ' B' ' 33' ' ' LYS . 10.0 mmtp -78.67 -32.36 47.09 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.193 -0.942 . . . . 0.0 109.137 179.675 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.1 t -81.02 -35.2 32.2 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.301 -0.875 . . . . 0.0 109.607 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.469 ' O ' ' HB2' ' B' ' 35' ' ' LEU . 9.4 tt0 -81.73 -25.78 35.11 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 179.71 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.505 ' O ' HG13 ' B' ' 36' ' ' ILE . 22.3 tp -79.83 -40.52 28.31 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 179.226 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.77 ' HG2' HD13 ' B' ' 60' ' ' LEU . 0.0 OUTLIER -64.94 -37.18 86.78 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 179.329 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.553 ' HG3' ' N ' ' B' ' 35' ' ' LEU . 0.0 OUTLIER -78.09 -31.17 49.98 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 179.697 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.86 HD11 HG11 ' B' ' 13' ' ' VAL . 0.2 OUTLIER -55.11 -44.6 75.11 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 178.947 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.53 HG22 ' HB3' ' B' ' 40' ' ' LEU . 0.2 OUTLIER -81.32 -61.57 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.465 0 O-C-N 121.501 -0.749 . . . . 0.0 109.832 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -54.76 -11.24 0.56 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.255 -0.903 . . . . 0.0 111.63 -178.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.501 ' HB2' ' O ' ' B' ' 34' ' ' GLU . 8.2 t-20 -104.08 -58.21 1.91 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.448 -1.408 . . . . 0.0 110.593 -179.406 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.493 ' O ' ' HB3' ' A' ' 3' ' ' LEU . 52.8 mt-10 -111.44 31.6 6.0 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.943 -1.098 . . . . 0.0 110.385 -179.255 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.72 ' HB2' HD23 ' A' ' 3' ' ' LEU . 0.2 OUTLIER -153.0 -86.86 0.06 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.099 -1.0 . . . . 0.0 108.836 179.835 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.582 ' O ' ' CG ' ' B' ' 42' ' ' HIS . 2.8 m 63.22 6.98 2.58 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.81 -1.181 . . . . 0.0 110.539 179.251 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 42' ' ' HIS . . . . . 0.582 ' CG ' ' O ' ' B' ' 41' ' ' SER . 31.5 p80 38.96 27.86 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.405 -0.809 . . . . 0.0 110.035 179.785 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 43' ' ' PHE . . . . . 0.502 ' N ' ' O ' ' B' ' 41' ' ' SER . 36.4 m-85 60.41 105.67 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.183 -0.948 . . . . 0.0 109.386 -179.774 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.618 ' HG ' HD11 ' B' ' 47' ' ' ILE . 0.2 OUTLIER -91.08 126.16 36.08 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.301 -0.874 . . . . 0.0 109.553 -179.85 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.473 ' HG3' ' N ' ' B' ' 46' ' ' GLU . 8.5 pt-20 -163.89 -37.99 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.138 -0.976 . . . . 0.0 109.595 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 46' ' ' GLU . . . . . 0.473 ' N ' ' HG3' ' B' ' 45' ' ' GLU . 0.1 OUTLIER -144.7 -54.02 0.32 Allowed 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.227 -0.92 . . . . 0.0 108.699 179.9 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.618 HD11 ' HG ' ' B' ' 44' ' ' LEU . 3.6 mt 63.2 100.5 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.382 -0.824 . . . . 0.0 109.697 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 12.8 tttp -89.68 -41.12 12.11 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.2 -0.937 . . . . 0.0 109.503 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.7 ' OE1' HG23 ' B' ' 52' ' ' VAL . 4.3 mm-40 -80.48 75.57 7.33 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.22 -0.925 . . . . 0.0 109.615 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 50' ' ' GLN . . . . . 0.453 ' O ' ' HB2' ' B' ' 54' ' ' ASP . 37.3 tt0 -62.13 -23.53 66.62 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.241 -0.912 . . . . 0.0 109.503 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.41 -27.36 41.79 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.274 -0.891 . . . . 0.0 109.689 -179.673 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.7 HG23 ' OE1' ' B' ' 49' ' ' GLU . 96.8 t -74.91 -45.59 42.87 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.15 -0.969 . . . . 0.0 109.593 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.529 HG23 ' CB ' ' B' ' 83' ' ' ALA . 57.1 t -78.72 -29.64 14.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.249 -0.907 . . . . 0.0 109.173 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 54' ' ' ASP . . . . . 0.517 ' O ' ' CG ' ' B' ' 58' ' ' GLU . 5.4 m-20 -79.35 -22.6 44.22 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.221 -0.925 . . . . 0.0 108.863 179.293 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -80.47 -49.89 10.8 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.309 -0.87 . . . . 0.0 109.411 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.596 HG23 ' N ' ' B' ' 57' ' ' MET . 35.3 m -71.62 -46.28 63.3 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.281 0 O-C-N 121.063 -1.023 . . . . 0.0 108.58 179.449 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.596 ' N ' HG23 ' B' ' 56' ' ' VAL . 0.0 OUTLIER -63.0 -23.21 67.34 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 179.104 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 58' ' ' GLU . . . . . 0.517 ' CG ' ' O ' ' B' ' 54' ' ' ASP . 5.9 mt-10 -71.81 -52.57 16.87 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.26 -0.9 . . . . 0.0 109.42 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 33.6 m -62.86 -27.56 69.43 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.031 -1.043 . . . . 0.0 108.342 179.574 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.77 HD13 ' HG2' ' B' ' 33' ' ' LYS . 8.6 mt -67.4 -52.93 33.92 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-O 121.459 0.647 . . . . 0.0 109.697 179.699 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.43 -7.52 59.17 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.505 -0.747 . . . . 0.0 109.987 -179.57 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.436 ' HB2' ' O ' ' B' ' 58' ' ' GLU . 9.6 tp10 -80.59 -46.99 14.81 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.208 -0.933 . . . . 0.0 109.756 -179.557 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -87.12 -70.23 0.63 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.387 -0.821 . . . . 0.0 109.775 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.32 -43.28 3.22 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.272 -1.531 . . . . 0.0 109.272 -179.559 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -118.84 36.12 4.56 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.251 -1.146 . . . . 0.0 109.319 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -100.89 168.11 20.13 Favored Glycine 0 N--CA 1.488 2.131 0 N-CA-C 109.615 -1.394 . . . . 0.0 109.615 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.497 ' HB2' ' HE2' ' B' ' 26' ' ' LYS . 0.0 OUTLIER -109.32 129.79 55.51 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.271 -1.135 . . . . 0.0 109.386 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.442 ' SG ' ' HD3' ' B' ' 29' ' ' LYS . 3.6 m -93.89 168.36 11.03 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.119 -0.988 . . . . 0.0 109.029 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -111.26 -161.15 0.74 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.044 -1.035 . . . . 0.0 109.347 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.472 ' O ' ' HB2' ' B' ' 74' ' ' MET . 0.1 OUTLIER -88.7 -43.71 11.1 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.103 -0.998 . . . . 0.0 108.95 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.503 ' HG2' ' HB ' ' A' ' 82' ' ' THR . 1.1 mt-30 -71.57 -22.83 61.69 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.325 -0.859 . . . . 0.0 109.579 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.499 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 0.5 OUTLIER -78.35 -53.64 7.07 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.235 -0.916 . . . . 0.0 109.647 -179.67 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.698 ' O ' HG23 ' B' ' 77' ' ' VAL . 0.3 OUTLIER -63.84 -21.25 66.36 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.278 -0.888 . . . . 0.0 109.002 179.778 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.554 ' HA ' ' CE ' ' B' ' 74' ' ' MET . 0.7 OUTLIER -80.21 -52.84 7.27 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.089 -1.007 . . . . 0.0 109.522 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.533 ' O ' ' HG3' ' B' ' 79' ' ' MET . . . -70.98 -15.46 62.58 Favored 'General case' 0 C--N 1.299 -1.63 0 C-N-CA 119.51 -0.876 . . . . 0.0 109.08 -179.714 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.65 ' O ' HG22 ' B' ' 80' ' ' VAL . 1.0 OUTLIER -80.84 -40.35 25.04 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.456 -0.777 . . . . 0.0 109.42 179.573 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.898 HG12 ' HE2' ' A' ' 7' ' ' MET . 88.2 t -68.19 -26.36 33.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.255 -0.903 . . . . 0.0 109.701 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 78' ' ' SER . . . . . 0.45 ' O ' ' OG1' ' B' ' 82' ' ' THR . 50.6 m -80.6 -41.68 23.54 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.1 -1.0 . . . . 0.0 111.069 -179.135 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 79' ' ' MET . . . . . 0.533 ' HG3' ' O ' ' B' ' 75' ' ' ALA . 0.0 OUTLIER -59.94 -40.35 88.63 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.824 -1.173 . . . . 0.0 110.452 -178.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.65 HG22 ' O ' ' B' ' 76' ' ' PHE . 2.5 m -75.64 -43.06 41.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.134 -0.979 . . . . 0.0 111.119 -178.578 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.556 ' OG1' ' HE2' ' A' ' 7' ' ' MET . 1.6 m -61.74 -9.75 7.16 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.68 -1.263 . . . . 0.0 110.305 -179.503 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.486 ' HB ' ' HG2' ' A' ' 71' ' ' GLN . 0.4 OUTLIER -121.6 -0.03 9.8 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.954 -1.091 . . . . 0.0 110.005 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.529 ' CB ' HG23 ' B' ' 53' ' ' VAL . . . . . . . . 0 N--CA 1.489 1.512 0 O-C-N 121.148 -0.97 . . . . 0.0 110.053 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 1' ' ' SER . . . . . 0.432 ' O ' ' HB2' ' A' ' 5' ' ' LYS . 20.3 p . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.733 ' HB3' HG22 ' B' ' 13' ' ' VAL . 8.3 tt0 -80.21 -38.92 30.16 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.329 -0.857 . . . . 0.0 110.024 -179.578 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 1.074 ' CD1' HD23 ' B' ' 10' ' ' LEU . 16.4 tp -78.39 -52.31 8.76 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.154 -0.966 . . . . 0.0 110.057 -179.459 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.534 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 3.5 tm-20 -55.92 -34.38 65.54 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.325 -0.86 . . . . 0.0 110.03 -179.064 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.432 ' HB2' ' O ' ' A' ' 1' ' ' SER . 11.1 tptt -80.4 -51.46 8.82 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.922 -1.112 . . . . 0.0 110.254 -179.57 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.661 ' HB1' ' HB3' ' B' ' 9' ' ' ALA . . . -73.45 -62.22 1.56 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.126 -0.984 . . . . 0.0 110.251 -179.364 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.721 ' CE ' HG12 ' B' ' 77' ' ' VAL . 13.9 tpt -45.5 -47.53 14.13 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.325 -0.859 . . . . 0.0 109.718 -179.466 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.534 ' CG2' ' O ' ' A' ' 4' ' ' GLU . 40.0 t -71.9 -30.44 37.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.371 -0.83 . . . . 0.0 109.996 -179.588 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.648 ' HB3' ' HB1' ' B' ' 6' ' ' ALA . . . -60.23 -54.59 43.94 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.058 -1.026 . . . . 0.0 109.53 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 1.096 HD13 ' N ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -52.26 -41.09 62.54 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.179 -0.951 . . . . 0.0 108.8 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 1.096 ' N ' HD13 ' A' ' 10' ' ' LEU . 0.5 OUTLIER -63.17 -35.69 72.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 120.953 -1.092 . . . . 0.0 108.328 179.697 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 13' ' ' VAL . 9.2 t0 -56.66 -44.24 81.15 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 178.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.699 HG22 ' HB3' ' B' ' 2' ' ' GLU . 14.0 t -47.41 -43.0 8.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 178.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.614 ' CE2' ' HB3' ' A' ' 70' ' ' PHE . 77.6 t80 -48.01 -49.68 30.18 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.346 -0.847 . . . . 0.0 108.839 179.402 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 32.7 t-80 -60.4 -36.04 77.17 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.399 -0.813 . . . . 0.0 109.408 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -54.73 -52.79 61.39 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.278 -0.889 . . . . 0.0 109.392 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.592 ' CD2' HD21 ' A' ' 35' ' ' LEU . 83.5 m-85 -87.87 0.05 56.33 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.303 -0.873 . . . . 0.0 109.487 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.0 t . . . . . 0 N--CA 1.489 1.511 0 O-C-N 121.213 -0.93 . . . . 0.0 109.324 179.975 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.87 128.33 14.98 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.139 -0.976 . . . . 0.0 109.735 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.598 HD22 ' HB3' ' A' ' 31' ' ' GLU . 1.6 mt -111.24 -157.57 0.62 Allowed 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 179.708 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' A' ' 66' ' ' GLY . 14.2 mtpt -141.07 173.78 11.16 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.945 -1.097 . . . . 0.0 109.641 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.445 ' HB2' ' O ' ' A' ' 63' ' ' ASP . 4.7 mmtt -74.43 -31.81 62.43 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.325 -0.859 . . . . 0.0 109.657 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.425 ' HB2' ' O ' ' A' ' 64' ' ' GLY . 46.9 t -73.43 -26.43 60.95 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.138 -0.976 . . . . 0.0 109.512 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.598 ' HB3' HD22 ' A' ' 27' ' ' LEU . 1.2 tt0 -87.36 -19.9 27.49 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.056 -1.027 . . . . 0.0 108.478 179.476 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.527 HD21 ' CD2' ' A' ' 76' ' ' PHE . 10.4 tp -80.91 -38.03 28.64 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 178.785 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.592 ' HB2' HD22 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -63.6 -36.81 85.03 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.262 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.551 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 9.5 pt-20 -78.58 -38.33 40.4 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 179.587 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 1.007 ' CD1' HD22 ' B' ' 3' ' ' LEU . 0.2 OUTLIER -48.02 -49.91 29.47 Favored 'General case' 0 C--N 1.295 -1.793 0 CA-C-O 121.489 0.661 . . . . 0.0 109.255 179.548 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.854 HG21 HG21 ' A' ' 80' ' ' VAL . 0.1 OUTLIER -82.33 -52.41 13.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.536 -0.727 . . . . 0.0 110.909 -179.259 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -72.96 3.93 4.79 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.312 -0.868 . . . . 0.0 111.494 -178.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.551 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 55.4 t30 -119.95 -73.92 0.63 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.761 -1.212 . . . . 0.0 110.175 -179.638 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.514 ' HB3' ' HB3' ' B' ' 3' ' ' LEU . 4.2 mp0 -63.77 -41.99 97.88 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.063 -1.023 . . . . 0.0 109.778 -179.507 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.487 ' O ' ' C ' ' A' ' 41' ' ' SER . 2.2 tt -75.24 -89.1 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.189 -0.945 . . . . 0.0 109.313 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.487 ' C ' ' O ' ' A' ' 40' ' ' LEU . 5.6 t 31.56 95.23 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.342 -0.849 . . . . 0.0 111.047 179.316 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -172.69 -56.4 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.878 -1.139 . . . . 0.0 109.854 179.641 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.412 ' O ' ' HG3' ' A' ' 45' ' ' GLU . 6.3 m-85 -82.96 -2.2 54.51 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.199 -0.938 . . . . 0.0 109.708 -179.742 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.04 99.79 2.36 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.158 -0.964 . . . . 0.0 109.567 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 43' ' ' PHE . 1.4 mt-10 -127.94 -62.7 1.05 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.273 -0.892 . . . . 0.0 109.138 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.453 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 9.7 pt-20 -117.74 -27.27 6.29 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.423 -0.798 . . . . 0.0 109.192 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.453 ' HB ' ' O ' ' A' ' 46' ' ' GLU . 3.1 mt 65.86 113.88 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.366 -0.834 . . . . 0.0 109.679 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.37 -42.37 10.96 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.174 -0.954 . . . . 0.0 109.189 179.693 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.712 ' OE1' HG23 ' A' ' 52' ' ' VAL . 13.6 mm-40 -88.08 62.67 6.92 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.291 -0.88 . . . . 0.0 109.352 179.628 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.46 ' O ' ' HB2' ' A' ' 54' ' ' ASP . 34.6 tt0 -49.27 -22.9 1.17 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.179 -0.951 . . . . 0.0 109.534 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -78.79 -41.67 29.81 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.249 -0.907 . . . . 0.0 109.701 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.712 HG23 ' OE1' ' A' ' 49' ' ' GLU . 77.0 t -61.82 -55.07 26.68 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.167 -0.958 . . . . 0.0 109.667 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.445 ' O ' ' HB2' ' A' ' 57' ' ' MET . 81.1 t -66.39 -27.67 41.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.333 -0.854 . . . . 0.0 109.644 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.5 ' O ' ' HG3' ' A' ' 58' ' ' GLU . 50.8 m-20 -75.7 -22.99 56.12 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.11 -0.993 . . . . 0.0 109.078 179.777 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.34 -51.59 9.22 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.302 -0.874 . . . . 0.0 109.762 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.812 HG21 ' CG1' ' A' ' 80' ' ' VAL . 12.0 m -70.5 -39.77 76.62 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.354 0 O-C-N 121.164 -0.96 . . . . 0.0 109.213 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.445 ' HB2' ' O ' ' A' ' 53' ' ' VAL . 26.2 tpp -68.6 -26.99 65.65 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.451 -0.781 . . . . 0.0 109.122 179.537 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.5 ' HG3' ' O ' ' A' ' 54' ' ' ASP . 0.7 OUTLIER -73.11 -50.21 24.11 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.164 -0.96 . . . . 0.0 109.117 179.69 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 25.1 m -65.52 -24.11 67.04 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 179.289 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.592 HD22 ' HB2' ' A' ' 33' ' ' LYS . 10.5 mt -70.2 -52.77 20.78 Favored 'General case' 0 N--CA 1.487 1.388 0 CA-C-O 121.432 0.634 . . . . 0.0 109.7 179.761 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.77 -15.22 60.29 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.434 -0.791 . . . . 0.0 110.078 -179.525 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -79.05 -35.21 42.91 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.003 -1.061 . . . . 0.0 109.717 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.445 ' O ' ' HB2' ' A' ' 29' ' ' LYS . 6.1 m-20 -139.59 47.91 1.85 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.232 -0.917 . . . . 0.0 109.7 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.425 ' O ' ' HB2' ' A' ' 30' ' ' SER . . . -47.98 -25.88 4.06 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.388 -1.485 . . . . 0.0 109.388 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -101.67 44.46 1.01 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.389 -1.066 . . . . 0.0 109.431 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.462 ' O ' ' HG2' ' A' ' 28' ' ' LYS . . . -114.09 -168.56 16.39 Favored Glycine 0 N--CA 1.487 2.057 0 N-CA-C 109.65 -1.38 . . . . 0.0 109.65 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -122.39 134.68 54.61 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.235 -1.156 . . . . 0.0 109.544 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -122.41 161.84 22.74 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.275 -0.89 . . . . 0.0 109.431 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -96.79 165.21 12.23 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.232 -0.917 . . . . 0.0 109.151 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.614 ' HB3' ' CE2' ' A' ' 14' ' ' PHE . 35.5 p90 -63.97 -46.71 83.44 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.02 -1.05 . . . . 0.0 109.08 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.581 ' N ' ' CG ' ' A' ' 70' ' ' PHE . 1.0 OUTLIER -65.71 -25.72 67.44 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.243 -0.91 . . . . 0.0 109.027 179.745 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.525 ' N ' ' HG3' ' A' ' 71' ' ' GLN . 0.7 OUTLIER -70.77 -68.63 0.42 Allowed 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 179.253 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.639 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -48.49 -28.5 3.37 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 178.811 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.969 ' SD ' HD11 ' A' ' 10' ' ' LEU . 49.3 mmm -64.87 -57.64 8.29 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.479 -0.763 . . . . 0.0 109.696 -179.672 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.505 ' O ' ' HG3' ' A' ' 79' ' ' MET . . . -61.73 -23.14 65.95 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.251 -0.906 . . . . 0.0 109.051 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.59 ' CZ ' HG12 ' A' ' 56' ' ' VAL . 1.1 m-85 -75.34 -32.44 60.9 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 179.551 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.708 HG12 ' CE ' ' B' ' 7' ' ' MET . 65.4 t -69.52 -26.16 30.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.545 -0.722 . . . . 0.0 109.191 179.592 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.466 ' O ' HG23 ' A' ' 82' ' ' THR . 24.4 p -78.77 -55.2 5.35 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.314 -0.866 . . . . 0.0 110.312 -179.582 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.659 ' HB3' HG13 ' A' ' 52' ' ' VAL . 1.1 mtt -49.01 -49.05 42.86 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.18 -0.95 . . . . 0.0 109.481 -179.395 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.854 HG21 HG21 ' A' ' 36' ' ' ILE . 33.3 m -68.98 -48.04 72.29 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 O-C-N 121.45 -0.781 . . . . 0.0 110.279 -179.174 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.799 HG21 HD11 ' B' ' 11' ' ' ILE . 26.0 m -68.15 -6.11 21.53 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.106 -0.996 . . . . 0.0 109.834 -179.729 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.466 HG23 ' O ' ' A' ' 78' ' ' SER . 81.3 p -119.31 -9.34 9.94 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.117 -0.989 . . . . 0.0 109.622 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.438 ' CB ' HG23 ' A' ' 53' ' ' VAL . . . . . . . . 0 N--CA 1.491 1.577 0 O-C-N 121.286 -0.884 . . . . 0.0 109.665 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 1' ' ' SER . . . . . 0.424 ' O ' ' HB2' ' B' ' 5' ' ' LYS . 20.3 p . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.699 ' HB3' HG22 ' A' ' 13' ' ' VAL . 8.3 tt0 -80.18 -38.89 30.36 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.299 -0.875 . . . . 0.0 110.035 -179.582 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 1.047 ' CD1' HD23 ' A' ' 10' ' ' LEU . 16.4 tp -78.41 -52.4 8.62 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.159 -0.963 . . . . 0.0 109.986 -179.475 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 4' ' ' GLU . . . . . 0.532 ' O ' ' CG2' ' B' ' 8' ' ' VAL . 3.6 tm-20 -55.84 -34.29 65.27 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 121.175 -0.953 . . . . 0.0 110.116 -179.059 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.424 ' HB2' ' O ' ' B' ' 1' ' ' SER . 11.1 tptt -80.6 -51.36 8.83 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.936 -1.103 . . . . 0.0 110.205 -179.519 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.648 ' HB1' ' HB3' ' A' ' 9' ' ' ALA . . . -73.46 -62.25 1.55 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.99 -1.069 . . . . 0.0 110.221 -179.438 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 7' ' ' MET . . . . . 0.708 ' CE ' HG12 ' A' ' 77' ' ' VAL . 13.9 tpt -45.5 -47.41 14.16 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.458 -0.776 . . . . 0.0 109.772 -179.435 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.532 ' CG2' ' O ' ' B' ' 4' ' ' GLU . 40.2 t -71.95 -30.51 37.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.412 -0.805 . . . . 0.0 109.982 -179.549 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.661 ' HB3' ' HB1' ' A' ' 6' ' ' ALA . . . -60.26 -54.55 44.4 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.067 -1.021 . . . . 0.0 109.549 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 1.076 HD13 ' N ' ' B' ' 11' ' ' ILE . 0.0 OUTLIER -52.2 -41.29 62.56 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.244 -0.91 . . . . 0.0 108.688 179.946 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 1.076 ' N ' HD13 ' B' ' 10' ' ' LEU . 0.5 OUTLIER -63.05 -35.65 72.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.061 -1.024 . . . . 0.0 108.4 179.731 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -56.71 -44.31 81.45 Favored 'General case' 0 C--N 1.306 -1.322 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 178.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' VAL . . . . . 0.733 HG22 ' HB3' ' A' ' 2' ' ' GLU . 14.0 t -47.35 -43.07 8.02 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 178.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.616 ' CE2' ' HB3' ' B' ' 70' ' ' PHE . 77.6 t80 -47.94 -49.7 29.4 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.389 -0.819 . . . . 0.0 108.826 179.405 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 32.7 t-80 -60.46 -36.04 77.29 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.318 -0.864 . . . . 0.0 109.367 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -54.66 -52.77 61.29 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.167 -0.958 . . . . 0.0 109.402 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.591 ' CD2' HD21 ' B' ' 35' ' ' LEU . 83.6 m-85 -87.96 0.01 56.44 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.373 -0.829 . . . . 0.0 109.464 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 3.0 t . . . . . 0 N--CA 1.49 1.531 0 O-C-N 121.249 -0.907 . . . . 0.0 109.346 179.952 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.99 128.31 14.85 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.276 -0.89 . . . . 0.0 109.663 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.598 HD22 ' HB3' ' B' ' 31' ' ' GLU . 1.6 mt -111.23 -157.54 0.62 Allowed 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.339 -0.85 . . . . 0.0 108.913 179.743 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.456 ' HG2' ' O ' ' B' ' 66' ' ' GLY . 14.3 mtpt -141.15 173.72 11.22 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.988 -1.07 . . . . 0.0 109.588 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.442 ' HB2' ' O ' ' B' ' 63' ' ' ASP . 4.7 mmtt -74.34 -31.77 62.55 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.319 -0.863 . . . . 0.0 109.71 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.426 ' HB2' ' O ' ' B' ' 64' ' ' GLY . 47.1 t -73.5 -26.44 60.89 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.15 -0.969 . . . . 0.0 109.509 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.598 ' HB3' HD22 ' B' ' 27' ' ' LEU . 1.2 tt0 -87.3 -19.9 27.59 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.048 -1.032 . . . . 0.0 108.492 179.358 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.532 HD21 ' CD2' ' B' ' 76' ' ' PHE . 10.4 tp -80.96 -37.95 28.55 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 178.816 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.6 ' HB2' HD22 ' B' ' 60' ' ' LEU . 0.2 OUTLIER -63.67 -36.77 84.95 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 179.179 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.547 ' O ' ' CB ' ' B' ' 38' ' ' ASN . 9.5 pt-20 -78.59 -38.34 40.26 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 179.567 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 1.044 ' CD1' HD22 ' A' ' 3' ' ' LEU . 0.2 OUTLIER -48.13 -49.82 30.83 Favored 'General case' 0 C--N 1.293 -1.854 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.591 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.86 HG21 HG21 ' B' ' 80' ' ' VAL . 0.1 OUTLIER -82.36 -52.27 13.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.53 -0.731 . . . . 0.0 110.975 -179.35 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -73.03 3.83 4.98 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.252 -0.905 . . . . 0.0 111.53 -178.019 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.547 ' CB ' ' O ' ' B' ' 34' ' ' GLU . 55.2 t30 -119.89 -73.9 0.63 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.731 -1.231 . . . . 0.0 110.198 -179.589 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.543 ' HB3' ' HB3' ' A' ' 3' ' ' LEU . 4.2 mp0 -63.67 -42.13 98.09 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.083 -1.011 . . . . 0.0 109.81 -179.575 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.499 ' O ' ' C ' ' B' ' 41' ' ' SER . 2.3 tt -75.19 -89.04 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.105 -0.997 . . . . 0.0 109.357 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.499 ' C ' ' O ' ' B' ' 40' ' ' LEU . 5.6 t 31.49 95.24 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.34 -0.85 . . . . 0.0 111.015 179.24 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -172.64 -56.45 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.936 -1.103 . . . . 0.0 109.898 179.613 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 43' ' ' PHE . . . . . 0.415 ' O ' ' HG3' ' B' ' 45' ' ' GLU . 6.2 m-85 -82.93 -2.17 54.27 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.204 -0.935 . . . . 0.0 109.745 -179.762 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.11 99.78 2.39 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.115 -0.99 . . . . 0.0 109.553 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' B' ' 43' ' ' PHE . 1.4 mt-10 -127.92 -62.64 1.05 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.363 -0.836 . . . . 0.0 109.221 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 46' ' ' GLU . . . . . 0.45 ' O ' ' HB ' ' B' ' 47' ' ' ILE . 9.6 pt-20 -117.76 -27.26 6.29 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.504 -0.747 . . . . 0.0 109.279 179.749 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.45 ' HB ' ' O ' ' B' ' 46' ' ' GLU . 3.1 mt 65.86 113.82 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.331 -0.856 . . . . 0.0 109.696 179.803 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.27 -42.47 10.97 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.138 -0.976 . . . . 0.0 109.179 179.709 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.724 ' OE1' HG23 ' B' ' 52' ' ' VAL . 13.5 mm-40 -88.07 62.65 6.91 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.28 -0.887 . . . . 0.0 109.251 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 50' ' ' GLN . . . . . 0.457 ' O ' ' HB2' ' B' ' 54' ' ' ASP . 34.6 tt0 -49.18 -22.95 1.11 Allowed 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.285 -0.884 . . . . 0.0 109.575 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -78.75 -41.73 29.95 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.288 -0.882 . . . . 0.0 109.679 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.724 HG23 ' OE1' ' B' ' 49' ' ' GLU . 78.0 t -61.89 -54.98 27.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.133 -0.98 . . . . 0.0 109.66 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.462 ' O ' ' HB2' ' B' ' 57' ' ' MET . 80.9 t -66.55 -27.51 40.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.21 -0.931 . . . . 0.0 109.683 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 54' ' ' ASP . . . . . 0.49 ' O ' ' HG3' ' B' ' 58' ' ' GLU . 51.0 m-20 -75.76 -23.05 55.94 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.107 -0.996 . . . . 0.0 109.073 179.695 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.23 -51.73 9.09 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.209 -0.932 . . . . 0.0 109.733 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.824 HG21 ' CG1' ' B' ' 80' ' ' VAL . 12.0 m -70.39 -39.95 77.07 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 O-C-N 121.014 -1.054 . . . . 0.0 109.167 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.462 ' HB2' ' O ' ' B' ' 53' ' ' VAL . 26.2 tpp -68.5 -27.11 65.84 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.454 -0.779 . . . . 0.0 109.049 179.589 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 58' ' ' GLU . . . . . 0.49 ' HG3' ' O ' ' B' ' 54' ' ' ASP . 0.7 OUTLIER -73.03 -50.29 23.91 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.155 -0.966 . . . . 0.0 109.135 179.704 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 24.8 m -65.4 -24.1 67.12 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.082 -1.012 . . . . 0.0 108.343 179.212 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.6 HD22 ' HB2' ' B' ' 33' ' ' LYS . 10.5 mt -70.27 -52.75 20.6 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.672 -0.643 . . . . 0.0 109.675 179.803 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.81 -15.2 60.28 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.433 -0.792 . . . . 0.0 110.014 -179.478 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -79.03 -35.28 42.94 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.053 -1.029 . . . . 0.0 109.676 -179.664 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.442 ' O ' ' HB2' ' B' ' 29' ' ' LYS . 6.1 m-20 -139.54 48.04 1.85 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.245 -0.909 . . . . 0.0 109.666 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 64' ' ' GLY . . . . . 0.426 ' O ' ' HB2' ' B' ' 30' ' ' SER . . . -48.04 -25.94 4.18 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.399 -1.48 . . . . 0.0 109.399 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -101.6 44.38 1.02 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.348 -1.089 . . . . 0.0 109.426 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 66' ' ' GLY . . . . . 0.456 ' O ' ' HG2' ' B' ' 28' ' ' LYS . . . -114.0 -168.6 16.47 Favored Glycine 0 N--CA 1.487 2.055 0 N-CA-C 109.691 -1.364 . . . . 0.0 109.691 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -122.38 134.65 54.62 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.362 -1.081 . . . . 0.0 109.508 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -122.37 161.79 22.78 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.31 -0.868 . . . . 0.0 109.463 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -96.71 165.17 12.26 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.231 -0.918 . . . . 0.0 109.07 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.616 ' HB3' ' CE2' ' B' ' 14' ' ' PHE . 35.3 p90 -64.01 -46.58 83.87 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.036 -1.04 . . . . 0.0 109.133 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.594 ' N ' ' CG ' ' B' ' 70' ' ' PHE . 1.0 OUTLIER -65.74 -25.74 67.42 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.254 -0.904 . . . . 0.0 109.07 179.674 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.52 ' N ' ' HG3' ' B' ' 71' ' ' GLN . 0.7 OUTLIER -70.66 -68.65 0.42 Allowed 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 179.231 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.644 ' O ' HG23 ' B' ' 77' ' ' VAL . 0.0 OUTLIER -48.44 -28.48 3.31 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 178.832 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.98 ' SD ' HD11 ' B' ' 10' ' ' LEU . 49.6 mmm -64.86 -57.73 8.06 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.488 -0.758 . . . . 0.0 109.714 -179.663 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.507 ' O ' ' HG3' ' B' ' 79' ' ' MET . . . -61.77 -22.98 65.89 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.139 -0.976 . . . . 0.0 109.055 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.588 ' CZ ' HG12 ' B' ' 56' ' ' VAL . 1.1 m-85 -75.4 -32.45 60.75 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 179.505 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.721 HG12 ' CE ' ' A' ' 7' ' ' MET . 65.3 t -69.55 -26.01 30.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.51 -0.744 . . . . 0.0 109.195 179.612 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 78' ' ' SER . . . . . 0.451 ' O ' HG23 ' B' ' 82' ' ' THR . 24.4 p -78.87 -55.19 5.34 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.397 -0.814 . . . . 0.0 110.297 -179.602 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 79' ' ' MET . . . . . 0.661 ' HB3' HG13 ' B' ' 52' ' ' VAL . 1.1 mtt -49.02 -48.95 43.29 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.144 -0.973 . . . . 0.0 109.471 -179.334 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.86 HG21 HG21 ' B' ' 36' ' ' ILE . 33.3 m -69.03 -47.99 72.28 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.417 0 O-C-N 121.379 -0.825 . . . . 0.0 110.342 -179.139 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.831 HG21 HD11 ' A' ' 11' ' ' ILE . 25.9 m -68.12 -6.12 21.38 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.052 -1.03 . . . . 0.0 109.87 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.451 HG23 ' O ' ' B' ' 78' ' ' SER . 81.5 p -119.31 -9.28 9.95 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.115 -0.991 . . . . 0.0 109.654 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.437 ' CB ' HG23 ' B' ' 53' ' ' VAL . . . . . . . . 0 N--CA 1.49 1.57 0 O-C-N 121.147 -0.971 . . . . 0.0 109.665 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 90.9 p . . . . . 0 N--CA 1.489 1.517 0 CA-C-O 121.274 0.559 . . . . 0.0 109.513 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.915 ' HB3' HG22 ' B' ' 13' ' ' VAL . 0.6 OUTLIER -72.72 -47.47 46.77 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.292 -0.88 . . . . 0.0 109.596 -179.844 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.881 HD23 ' HB3' ' B' ' 39' ' ' GLU . 16.6 tp -71.77 -47.97 49.92 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.276 -0.89 . . . . 0.0 109.672 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.563 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 56.3 tt0 -54.13 -49.28 69.56 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.258 -0.901 . . . . 0.0 110.251 -179.18 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.69 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 21.1 mtpp -64.79 -38.85 92.36 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 120.578 -1.326 . . . . 0.0 110.709 -178.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.681 ' HB2' ' CB ' ' B' ' 9' ' ' ALA . . . -80.11 -71.13 0.47 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.937 -1.102 . . . . 0.0 110.237 -179.409 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.953 ' SD ' HG12 ' B' ' 77' ' ' VAL . 8.2 tpt -44.56 -47.43 10.24 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.406 -0.809 . . . . 0.0 110.22 -179.435 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.563 ' CG2' ' O ' ' A' ' 4' ' ' GLU . 11.1 t -70.03 -32.98 53.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.194 -0.941 . . . . 0.0 109.709 -179.45 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.691 ' CB ' ' HB2' ' B' ' 6' ' ' ALA . . . -62.81 -31.42 72.41 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.119 -0.988 . . . . 0.0 109.115 179.505 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.478 ' N ' ' HB1' ' B' ' 6' ' ' ALA . 0.4 OUTLIER -65.15 -48.57 73.07 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.262 -0.898 . . . . 0.0 108.791 179.679 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.67 HD11 ' CG2' ' B' ' 81' ' ' THR . 1.5 mp -53.83 -31.64 20.77 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.416 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -59.71 -51.62 69.0 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.324 -0.86 . . . . 0.0 109.008 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.916 HG22 ' HB3' ' B' ' 2' ' ' GLU . 48.3 t -49.04 -33.93 6.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.369 -0.832 . . . . 0.0 109.343 179.655 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.559 ' CZ ' HD23 ' A' ' 27' ' ' LEU . 9.9 t80 -58.85 -47.33 85.26 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.378 -0.826 . . . . 0.0 109.892 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 23.9 t-80 -79.93 -2.32 43.29 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.23 -0.919 . . . . 0.0 109.782 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.415 ' HB2' ' HA ' ' A' ' 13' ' ' VAL . 1.8 mm-40 -87.62 -20.96 25.64 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.166 -0.959 . . . . 0.0 109.663 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -117.65 -32.32 4.9 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.284 -0.885 . . . . 0.0 109.799 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.58 0 O-C-N 121.239 -0.913 . . . . 0.0 109.616 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 . . . . . 0 N--CA 1.488 1.465 0 CA-C-O 121.214 0.53 . . . . 0.0 109.956 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.429 ' HD2' ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -150.49 131.63 14.44 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.07 -1.019 . . . . 0.0 109.686 179.786 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.559 HD23 ' CZ ' ' A' ' 14' ' ' PHE . 0.5 OUTLIER -98.88 -160.74 0.82 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.263 -0.898 . . . . 0.0 109.346 179.809 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.407 ' O ' ' CB ' ' A' ' 32' ' ' LEU . 2.2 mtmt -149.16 -175.63 5.05 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.117 -0.989 . . . . 0.0 109.568 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.454 ' HB2' ' C ' ' A' ' 64' ' ' GLY . 30.6 mmtt -92.09 -22.1 20.09 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.271 -0.893 . . . . 0.0 109.457 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.8 t -80.25 -44.24 20.01 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.105 -0.997 . . . . 0.0 109.113 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.486 ' O ' ' HG3' ' A' ' 34' ' ' GLU . 1.1 tp10 -77.81 -23.94 48.92 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 179.152 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.514 ' O ' HG13 ' A' ' 36' ' ' ILE . 10.7 tp -75.98 -40.59 53.52 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 178.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.56 ' HB2' HD22 ' A' ' 60' ' ' LEU . 8.7 tmtt? -58.96 -45.58 90.18 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 179.041 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.549 ' HG3' ' N ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -69.91 -32.77 71.25 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 179.359 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.797 ' CD1' HD22 ' B' ' 3' ' ' LEU . 0.2 OUTLIER -57.0 -42.23 79.92 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-O 121.343 0.592 . . . . 0.0 109.422 179.817 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.832 HG23 HD23 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -74.28 -55.23 12.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.29 -0.882 . . . . 0.0 109.28 179.928 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.487 ' HA ' ' HB2' ' A' ' 41' ' ' SER . 53.6 t-20 -69.95 -1.45 9.7 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.21 -0.931 . . . . 0.0 110.175 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.536 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 9.9 t30 -87.87 -37.89 16.11 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.077 -1.014 . . . . 0.0 109.385 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.857 ' HB3' HD23 ' B' ' 3' ' ' LEU . 6.9 tp10 -130.57 -37.84 1.36 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.377 -0.827 . . . . 0.0 109.26 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.879 HD21 HG13 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -71.36 -2.97 18.22 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.216 -0.928 . . . . 0.0 109.934 -179.429 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.487 ' HB2' ' HA ' ' A' ' 37' ' ' ASN . 32.1 t -80.28 -13.56 59.1 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.163 -0.96 . . . . 0.0 109.394 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -61.92 -25.35 67.53 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.299 -0.876 . . . . 0.0 109.696 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -113.41 58.12 0.67 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.229 -0.92 . . . . 0.0 109.587 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.09 63.55 1.24 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.206 -0.934 . . . . 0.0 109.593 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -124.92 -35.36 2.69 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.275 -0.891 . . . . 0.0 109.386 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.433 ' O ' ' O ' ' A' ' 47' ' ' ILE . 3.5 mm-40 -122.65 -40.78 2.42 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.436 -0.79 . . . . 0.0 109.277 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.433 ' O ' ' O ' ' A' ' 46' ' ' GLU . 24.2 mt 61.54 121.83 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.367 -0.833 . . . . 0.0 109.506 179.778 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -96.96 -56.24 2.62 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.205 -0.935 . . . . 0.0 109.467 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.469 ' HB3' ' CG2' ' A' ' 52' ' ' VAL . 1.1 mm-40 -87.85 80.55 7.8 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.225 -0.922 . . . . 0.0 109.404 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.509 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 15.7 tm0? -59.07 -22.68 61.15 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.212 -0.93 . . . . 0.0 109.642 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -79.57 -38.03 35.02 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.306 -0.871 . . . . 0.0 109.44 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.469 ' CG2' ' HB3' ' A' ' 49' ' ' GLU . 95.7 t -64.34 -57.78 10.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.206 -0.934 . . . . 0.0 109.511 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.477 HG22 HG12 ' A' ' 80' ' ' VAL . 92.7 t -65.51 -29.47 47.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.227 -0.921 . . . . 0.0 109.485 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.509 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 50.1 t0 -74.14 -22.92 59.25 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.184 -0.948 . . . . 0.0 108.941 179.745 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.25 -52.83 7.26 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.392 -0.818 . . . . 0.0 109.677 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.591 HG23 ' N ' ' A' ' 57' ' ' MET . 31.5 m -65.04 -48.17 85.0 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 O-C-N 121.1 -1.0 . . . . 0.0 109.313 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.591 ' N ' HG23 ' A' ' 56' ' ' VAL . 55.0 tpp -62.39 -22.73 66.37 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.224 -0.923 . . . . 0.0 108.848 179.279 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.452 ' HG3' ' O ' ' A' ' 54' ' ' ASP . 3.5 mt-10 -72.33 -55.5 7.02 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.462 -0.774 . . . . 0.0 109.585 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.51 -29.41 69.98 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.045 -1.035 . . . . 0.0 108.326 179.421 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.56 HD22 ' HB2' ' A' ' 33' ' ' LYS . 9.8 mt -63.58 -53.52 50.49 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 179.433 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.97 -5.72 56.21 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.547 -0.721 . . . . 0.0 109.39 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -72.24 -28.59 63.25 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.327 -0.858 . . . . 0.0 109.324 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -145.01 -58.69 0.35 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.312 -0.868 . . . . 0.0 109.825 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.454 ' C ' ' HB2' ' A' ' 29' ' ' LYS . . . 79.95 -6.96 57.69 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.731 -1.348 . . . . 0.0 109.731 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -130.39 23.58 5.15 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.252 -1.146 . . . . 0.0 109.389 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.425 ' H ' ' CG ' ' A' ' 29' ' ' LYS . . . -89.98 178.95 43.88 Favored Glycine 0 N--CA 1.49 2.235 0 N-CA-C 109.594 -1.402 . . . . 0.0 109.594 -179.788 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -106.73 140.52 39.44 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.261 -1.141 . . . . 0.0 109.466 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.3 m -115.91 157.67 24.16 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.283 -0.885 . . . . 0.0 109.509 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -101.3 -163.07 0.98 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.203 -0.936 . . . . 0.0 109.298 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.61 ' CD2' ' HG3' ' A' ' 71' ' ' GLN . 1.3 p90 -88.04 -47.53 8.45 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.218 -0.926 . . . . 0.0 109.239 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.61 ' HG3' ' CD2' ' A' ' 70' ' ' PHE . 7.5 mt-30 -70.99 -16.36 62.63 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.183 -0.948 . . . . 0.0 109.093 179.626 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.65 -59.41 2.69 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.343 -0.848 . . . . 0.0 109.054 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.58 ' O ' ' CD1' ' A' ' 73' ' ' PHE . 1.7 t80 -63.27 -19.55 64.67 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.258 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.566 ' HE2' ' HB3' ' B' ' 78' ' ' SER . 7.7 mmm -79.98 -52.44 7.84 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.285 -0.884 . . . . 0.0 109.021 179.711 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.499 ' O ' ' HG3' ' A' ' 79' ' ' MET . . . -68.65 -16.04 63.71 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.209 -0.932 . . . . 0.0 108.856 179.585 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.658 ' O ' HG22 ' A' ' 80' ' ' VAL . 1.7 m-85 -78.2 -37.69 45.02 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.475 -0.766 . . . . 0.0 109.304 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.957 HG12 ' SD ' ' B' ' 7' ' ' MET . 78.2 t -75.33 -30.34 22.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.431 -0.793 . . . . 0.0 109.755 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.57 ' HB3' ' HE2' ' B' ' 74' ' ' MET . 37.9 m -77.13 -38.22 52.48 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.15 -0.969 . . . . 0.0 110.253 -179.455 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.499 ' HG3' ' O ' ' A' ' 75' ' ' ALA . 1.2 mmm -60.67 -50.44 73.49 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.055 -1.028 . . . . 0.0 110.395 -179.468 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.781 HG21 HG23 ' A' ' 36' ' ' ILE . 1.7 m -68.25 -36.2 74.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.122 -0.986 . . . . 0.0 110.487 -179.005 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.706 ' CG2' HD11 ' B' ' 11' ' ' ILE . 10.4 m -67.75 -7.79 30.25 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.989 -1.069 . . . . 0.0 110.134 -179.318 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.499 ' HB ' ' HG2' ' B' ' 71' ' ' GLN . 27.0 p -120.78 -10.54 9.14 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.914 -1.116 . . . . 0.0 109.614 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.499 0 O-C-N 121.158 -0.964 . . . . 0.0 109.396 179.801 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 91.2 p . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.916 ' HB3' HG22 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -72.7 -47.38 47.74 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.276 -0.89 . . . . 0.0 109.591 -179.835 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.857 HD23 ' HB3' ' A' ' 39' ' ' GLU . 16.7 tp -71.78 -48.08 49.05 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.243 -0.911 . . . . 0.0 109.693 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 4' ' ' GLU . . . . . 0.563 ' O ' ' CG2' ' B' ' 8' ' ' VAL . 56.1 tt0 -54.21 -49.07 70.26 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 121.285 -0.885 . . . . 0.0 110.277 -179.115 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.681 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 21.0 mtpp -64.79 -38.85 92.38 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 120.733 -1.229 . . . . 0.0 110.721 -179.023 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.691 ' HB2' ' CB ' ' A' ' 9' ' ' ALA . . . -80.19 -71.08 0.47 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.847 -1.158 . . . . 0.0 110.205 -179.373 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 7' ' ' MET . . . . . 0.957 ' SD ' HG12 ' A' ' 77' ' ' VAL . 8.2 tpt -44.68 -47.31 10.58 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.408 -0.808 . . . . 0.0 110.251 -179.365 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.563 ' CG2' ' O ' ' B' ' 4' ' ' GLU . 11.3 t -70.14 -32.96 52.84 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.531 0 O-C-N 121.196 -0.94 . . . . 0.0 109.681 -179.466 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.681 ' CB ' ' HB2' ' A' ' 6' ' ' ALA . . . -62.75 -31.38 72.31 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.162 -0.961 . . . . 0.0 109.095 179.46 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.506 HD13 ' HE1' ' B' ' 74' ' ' MET . 0.4 OUTLIER -65.28 -48.47 73.08 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.237 -0.914 . . . . 0.0 108.835 179.712 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.706 HD11 ' CG2' ' A' ' 81' ' ' THR . 1.5 mp -53.83 -31.6 20.72 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 O-C-N 121.23 -0.919 . . . . 0.0 108.641 179.363 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -59.7 -51.66 68.83 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.406 -0.809 . . . . 0.0 109.028 179.547 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' VAL . . . . . 0.915 HG22 ' HB3' ' A' ' 2' ' ' GLU . 48.4 t -49.04 -33.93 6.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.366 -0.834 . . . . 0.0 109.29 179.655 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.556 ' CZ ' HD23 ' B' ' 27' ' ' LEU . 10.1 t80 -58.92 -47.24 85.74 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.303 -0.873 . . . . 0.0 109.847 -179.743 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 23.9 t-80 -79.99 -2.44 44.05 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.192 -0.943 . . . . 0.0 109.726 -179.66 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.412 ' HB2' ' HA ' ' B' ' 13' ' ' VAL . 1.8 mm-40 -87.4 -21.05 25.86 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.153 -0.967 . . . . 0.0 109.678 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -117.67 -32.3 4.9 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.169 -0.957 . . . . 0.0 109.767 -179.61 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.655 0 O-C-N 121.276 -0.89 . . . . 0.0 109.553 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 121.196 0.522 . . . . 0.0 109.909 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.425 ' HD2' ' C ' ' B' ' 26' ' ' LYS . 0.0 OUTLIER -150.44 131.63 14.48 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.151 -0.968 . . . . 0.0 109.617 179.777 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.556 HD23 ' CZ ' ' B' ' 14' ' ' PHE . 0.5 OUTLIER -98.92 -160.71 0.82 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.252 -0.905 . . . . 0.0 109.282 179.782 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.405 ' O ' ' CB ' ' B' ' 32' ' ' LEU . 2.2 mtmt -149.21 -175.63 5.05 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.247 -0.908 . . . . 0.0 109.497 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.449 ' HB2' ' C ' ' B' ' 64' ' ' GLY . 30.6 mmtt -91.97 -22.33 20.07 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.22 -0.925 . . . . 0.0 109.478 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 30.8 t -80.13 -44.19 20.34 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.198 -0.939 . . . . 0.0 109.124 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.486 ' O ' ' HG3' ' B' ' 34' ' ' GLU . 1.1 tp10 -77.86 -23.98 48.68 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 179.229 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.511 HD13 ' CD1' ' B' ' 73' ' ' PHE . 10.9 tp -75.77 -40.69 54.85 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 178.831 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.55 ' HB2' HD22 ' B' ' 60' ' ' LEU . 8.8 tmtt? -58.91 -45.64 89.81 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 179.093 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.542 ' HG3' ' N ' ' B' ' 35' ' ' LEU . 0.0 OUTLIER -69.94 -32.61 70.97 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 179.393 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.768 ' CD1' HD22 ' A' ' 3' ' ' LEU . 0.2 OUTLIER -57.07 -42.29 80.34 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 179.826 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.824 HG23 HD23 ' B' ' 40' ' ' LEU . 0.6 OUTLIER -74.25 -55.15 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.338 -0.852 . . . . 0.0 109.304 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.492 ' HA ' ' HB2' ' B' ' 41' ' ' SER . 53.6 t-20 -69.98 -1.48 9.84 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.293 -0.88 . . . . 0.0 110.246 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.538 ' CB ' ' O ' ' B' ' 34' ' ' GLU . 9.9 t30 -87.84 -37.86 16.18 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.103 -0.998 . . . . 0.0 109.392 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.881 ' HB3' HD23 ' A' ' 3' ' ' LEU . 6.9 tp10 -130.59 -37.77 1.36 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.396 -0.815 . . . . 0.0 109.317 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.878 HD21 HG13 ' B' ' 77' ' ' VAL . 0.0 OUTLIER -71.4 -2.93 18.2 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.36 -0.838 . . . . 0.0 109.869 -179.408 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.492 ' HB2' ' HA ' ' B' ' 37' ' ' ASN . 32.3 t -80.29 -13.53 59.12 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.155 -0.965 . . . . 0.0 109.337 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -62.04 -25.39 67.64 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.278 -0.889 . . . . 0.0 109.601 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -113.35 58.05 0.67 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.299 -0.875 . . . . 0.0 109.528 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.07 63.54 1.23 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.172 -0.955 . . . . 0.0 109.529 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -124.88 -35.48 2.68 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.362 -0.836 . . . . 0.0 109.261 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 46' ' ' GLU . . . . . 0.43 ' O ' ' O ' ' B' ' 47' ' ' ILE . 3.5 mm-40 -122.53 -40.87 2.42 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.413 -0.805 . . . . 0.0 109.338 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.43 ' O ' ' O ' ' B' ' 46' ' ' GLU . 23.7 mt 61.63 121.71 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.297 -0.877 . . . . 0.0 109.627 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -96.93 -56.23 2.63 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.208 -0.933 . . . . 0.0 109.507 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.471 ' HB3' ' CG2' ' B' ' 52' ' ' VAL . 1.1 mm-40 -87.84 80.54 7.81 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.184 -0.947 . . . . 0.0 109.434 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 50' ' ' GLN . . . . . 0.508 ' O ' ' CB ' ' B' ' 54' ' ' ASP . 15.7 tm0? -59.05 -22.7 61.14 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.236 -0.915 . . . . 0.0 109.643 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -79.6 -38.0 34.93 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.187 -0.945 . . . . 0.0 109.436 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.471 ' CG2' ' HB3' ' B' ' 49' ' ' GLU . 95.1 t -64.37 -57.82 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.36 -0.838 . . . . 0.0 109.501 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.479 HG22 HG12 ' B' ' 80' ' ' VAL . 92.5 t -65.36 -29.58 47.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.277 -0.89 . . . . 0.0 109.473 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 54' ' ' ASP . . . . . 0.508 ' CB ' ' O ' ' B' ' 50' ' ' GLN . 50.2 t0 -74.1 -22.97 59.27 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.198 -0.939 . . . . 0.0 108.994 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.25 -52.74 7.37 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.295 -0.878 . . . . 0.0 109.633 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.596 HG23 ' N ' ' B' ' 57' ' ' MET . 30.9 m -65.08 -48.35 84.23 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.333 0 O-C-N 121.132 -0.98 . . . . 0.0 109.211 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.596 ' N ' HG23 ' B' ' 56' ' ' VAL . 55.1 tpp -62.25 -22.72 66.2 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.288 -0.882 . . . . 0.0 108.82 179.353 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 58' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' B' ' 54' ' ' ASP . 3.5 mt-10 -72.39 -55.49 6.99 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.409 -0.807 . . . . 0.0 109.651 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.57 -29.41 70.0 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.95 -1.094 . . . . 0.0 108.165 179.475 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.552 HD11 ' CD1' ' B' ' 36' ' ' ILE . 9.8 mt -63.51 -53.65 48.61 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 121.564 0.697 . . . . 0.0 109.202 179.479 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.82 -5.79 56.09 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.589 -0.694 . . . . 0.0 109.408 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -72.11 -28.69 63.45 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.211 -0.931 . . . . 0.0 109.405 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -145.0 -58.76 0.35 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.303 -0.873 . . . . 0.0 109.702 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 64' ' ' GLY . . . . . 0.449 ' C ' ' HB2' ' B' ' 29' ' ' LYS . . . 79.91 -6.85 57.9 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.588 -1.405 . . . . 0.0 109.588 -179.742 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -130.42 23.51 5.14 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.25 -1.147 . . . . 0.0 109.458 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 66' ' ' GLY . . . . . 0.423 ' H ' ' CG ' ' B' ' 29' ' ' LYS . . . -89.96 178.9 43.88 Favored Glycine 0 N--CA 1.489 2.194 0 N-CA-C 109.641 -1.383 . . . . 0.0 109.641 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -106.68 140.47 39.49 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.235 -1.156 . . . . 0.0 109.501 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 1.3 m -115.84 157.7 24.03 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.238 -0.914 . . . . 0.0 109.557 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -101.37 -163.09 0.99 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.272 -0.893 . . . . 0.0 109.262 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.611 ' CD2' ' HG3' ' B' ' 71' ' ' GLN . 1.3 p90 -88.03 -47.52 8.46 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.189 -0.944 . . . . 0.0 109.362 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.611 ' HG3' ' CD2' ' B' ' 70' ' ' PHE . 7.4 mt-30 -70.95 -16.39 62.65 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.155 -0.966 . . . . 0.0 109.058 179.553 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.56 -59.47 2.68 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.298 -0.877 . . . . 0.0 109.029 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.577 ' O ' ' CD1' ' B' ' 73' ' ' PHE . 1.7 t80 -63.24 -19.58 64.68 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.23 -0.919 . . . . 0.0 108.539 179.278 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.57 ' HE2' ' HB3' ' A' ' 78' ' ' SER . 7.7 mmm -79.93 -52.44 7.85 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.241 -0.912 . . . . 0.0 109.062 179.701 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.501 ' O ' ' HG3' ' B' ' 79' ' ' MET . . . -68.46 -16.18 63.81 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.384 -0.823 . . . . 0.0 108.85 179.569 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.65 ' O ' HG22 ' B' ' 80' ' ' VAL . 1.7 m-85 -78.17 -37.73 45.12 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.425 -0.797 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.953 HG12 ' SD ' ' A' ' 7' ' ' MET . 78.5 t -75.35 -30.28 22.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.373 -0.829 . . . . 0.0 109.784 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 78' ' ' SER . . . . . 0.566 ' HB3' ' HE2' ' A' ' 74' ' ' MET . 38.7 m -77.12 -38.37 52.29 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.112 -0.992 . . . . 0.0 110.162 -179.433 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 79' ' ' MET . . . . . 0.501 ' HG3' ' O ' ' B' ' 75' ' ' ALA . 1.2 mmm -60.64 -50.45 73.45 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.116 -0.99 . . . . 0.0 110.339 -179.377 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.768 HG21 HG23 ' B' ' 36' ' ' ILE . 1.7 m -68.15 -36.19 74.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.016 -1.053 . . . . 0.0 110.566 -178.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.678 HG21 ' HG3' ' A' ' 7' ' ' MET . 10.5 m -67.87 -7.7 30.29 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.955 -1.091 . . . . 0.0 110.227 -179.331 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.492 ' HB ' ' HG2' ' A' ' 71' ' ' GLN . 26.6 p -120.74 -10.6 9.14 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.083 -1.011 . . . . 0.0 109.566 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.155 -0.966 . . . . 0.0 109.292 179.839 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 6.1 ptm . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.453 ' HB2' ' HG3' ' B' ' 39' ' ' GLU . 17.2 p -130.14 177.49 7.27 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.335 -0.853 . . . . 0.0 109.436 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.496 ' CB ' HG22 ' B' ' 13' ' ' VAL . 11.7 mm-40 -80.75 -58.36 3.14 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.232 -0.917 . . . . 0.0 110.531 -179.497 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.958 HD22 HD12 ' B' ' 35' ' ' LEU . 1.7 tp -60.31 -30.9 69.79 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.156 -0.965 . . . . 0.0 110.706 -178.662 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.6 ' O ' HG23 ' A' ' 8' ' ' VAL . 17.1 tt0 -73.01 -65.63 0.77 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.999 -1.063 . . . . 0.0 110.633 -178.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.487 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.5 OUTLIER -54.81 -36.79 65.33 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.782 -1.199 . . . . 0.0 109.945 -179.252 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -81.06 -69.75 0.58 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.318 -0.864 . . . . 0.0 110.672 -179.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.64 ' HE2' ' HA ' ' B' ' 78' ' ' SER . 11.8 tpt -48.94 -54.03 17.2 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.24 -0.913 . . . . 0.0 109.659 -179.323 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 4' ' ' GLU . 15.6 t -56.2 -33.99 38.41 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.624 0 O-C-N 121.427 -0.796 . . . . 0.0 109.79 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.487 ' HB2' ' O ' ' A' ' 5' ' ' LYS . . . -60.55 -35.6 76.41 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.093 -1.004 . . . . 0.0 108.959 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.834 HD13 ' HE1' ' A' ' 74' ' ' MET . 0.4 OUTLIER -58.83 -50.14 75.09 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.142 -0.974 . . . . 0.0 108.775 179.503 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.618 HG23 ' HE1' ' B' ' 88' ' ' PHE . 20.6 mt -50.46 -27.22 4.29 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.279 -0.888 . . . . 0.0 108.611 179.28 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -72.12 -45.51 60.3 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.627 -0.671 . . . . 0.0 109.635 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.484 HG22 ' CB ' ' B' ' 2' ' ' GLU . 24.3 t -50.0 -46.06 23.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.388 -0.82 . . . . 0.0 109.669 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.58 ' HB3' ' CZ ' ' B' ' 88' ' ' PHE . 0.1 OUTLIER -61.18 -41.27 96.5 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.021 -1.049 . . . . 0.0 109.551 -179.688 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -69.72 -18.82 63.56 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.237 -0.914 . . . . 0.0 109.253 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 17' ' ' TYR . 28.1 tt0 -95.17 -77.94 0.46 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.327 -0.858 . . . . 0.0 109.585 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.494 ' CG ' HD21 ' A' ' 35' ' ' LEU . 5.0 m-85 -43.03 -51.89 5.51 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.346 -0.846 . . . . 0.0 109.746 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.48 -30.83 67.73 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.173 -0.954 . . . . 0.0 109.559 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.452 ' HA2' ' HG3' ' A' ' 24' ' ' LYS . . . -70.61 -3.85 50.44 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.706 -1.358 . . . . 0.0 109.706 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.2 mtt180 -61.58 -67.41 0.41 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.144 -1.209 . . . . 0.0 109.726 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -80.04 -170.22 2.37 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.355 -0.841 . . . . 0.0 109.991 -179.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 23' ' ' ASP . . . -57.79 -58.01 16.83 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.887 -1.285 . . . . 0.0 109.887 -179.68 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.447 ' HB2' ' HG2' ' A' ' 26' ' ' LYS . 4.7 p-10 -43.74 147.29 0.46 Allowed 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.32 -1.106 . . . . 0.0 109.833 -179.643 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.508 ' C ' ' CG ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -140.23 20.94 2.42 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.283 -0.885 . . . . 0.0 109.101 179.652 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.508 ' CG ' ' C ' ' A' ' 24' ' ' LYS . 11.8 m-70 -153.95 17.78 0.51 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.283 -0.885 . . . . 0.0 109.738 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.447 ' HG2' ' HB2' ' A' ' 23' ' ' ASP . 0.0 OUTLIER -150.4 130.59 13.6 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.096 -1.002 . . . . 0.0 109.49 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.6 tp -98.9 -166.55 1.37 Allowed 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.281 -0.887 . . . . 0.0 109.326 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.488 ' HA ' ' HA ' ' A' ' 67' ' ' GLU . 2.7 ttmt -130.88 134.01 46.4 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.29 -0.881 . . . . 0.0 108.88 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.597 ' HD2' ' N ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -40.99 -29.99 0.12 Allowed 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.292 -0.88 . . . . 0.0 110.638 -179.152 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.597 ' N ' ' HD2' ' A' ' 29' ' ' LYS . 7.1 t -80.09 -40.87 26.69 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.849 -1.157 . . . . 0.0 110.09 -179.498 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.522 ' O ' ' HB2' ' A' ' 35' ' ' LEU . 1.1 tp10 -72.76 -16.74 61.64 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 120.938 -1.101 . . . . 0.0 108.722 179.659 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.481 ' O ' HG13 ' A' ' 36' ' ' ILE . 23.0 tp -81.54 -55.13 4.87 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 178.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.726 ' HG3' HD13 ' A' ' 60' ' ' LEU . 23.3 tttt -55.34 -36.35 66.17 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 178.453 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.532 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 0.1 OUTLIER -73.9 -35.81 64.69 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 179.305 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.913 HD12 HD22 ' B' ' 3' ' ' LEU . 0.1 OUTLIER -57.43 -38.96 75.24 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.579 -0.701 . . . . 0.0 109.481 179.648 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.733 HG21 HG21 ' A' ' 80' ' ' VAL . 0.7 OUTLIER -80.99 -52.88 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.429 -0.795 . . . . 0.0 110.653 -179.306 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.443 ' OD1' ' O ' ' A' ' 37' ' ' ASN . 20.8 t-20 -74.96 -1.72 23.86 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.241 -0.912 . . . . 0.0 111.038 -178.493 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.532 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 11.2 t30 -111.05 -63.77 1.36 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.833 -1.167 . . . . 0.0 109.722 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.563 ' HB3' ' CB ' ' B' ' 3' ' ' LEU . 1.0 OUTLIER -63.93 -57.24 10.37 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.224 -0.922 . . . . 0.0 109.646 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.639 HD11 ' HG2' ' B' ' 7' ' ' MET . 9.3 mt -73.68 -101.49 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.152 -0.968 . . . . 0.0 109.234 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 40' ' ' LEU . 9.6 t 39.43 88.77 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.32 -0.863 . . . . 0.0 110.027 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -167.11 -59.56 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.122 -0.986 . . . . 0.0 109.779 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.416 ' HE2' HD22 ' A' ' 40' ' ' LEU . 35.8 p90 -88.25 23.81 2.05 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.222 -0.924 . . . . 0.0 109.747 -179.65 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -87.45 125.08 34.07 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.168 -0.957 . . . . 0.0 108.857 179.497 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -130.34 -78.05 0.54 Allowed 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.228 -0.92 . . . . 0.0 109.746 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -106.95 -22.65 12.61 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.242 -0.911 . . . . 0.0 109.989 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.4 mt 61.03 88.78 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.091 -1.006 . . . . 0.0 109.158 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.43 ' HD3' ' CG ' ' A' ' 85' ' ' HIS . 24.5 tttt -71.64 -33.36 68.85 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.187 -0.946 . . . . 0.0 109.945 -179.539 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.827 ' OE1' HG23 ' A' ' 52' ' ' VAL . 10.4 mm-40 -85.88 60.69 6.39 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.907 -1.121 . . . . 0.0 109.457 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.544 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 37.6 tt0 -54.11 -21.58 8.93 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.29 -0.881 . . . . 0.0 109.085 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -80.12 -36.04 35.89 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.322 -0.861 . . . . 0.0 109.59 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.827 HG23 ' OE1' ' A' ' 49' ' ' GLU . 63.2 t -68.76 -51.16 48.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.197 -0.939 . . . . 0.0 109.38 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.548 ' O ' ' CB ' ' A' ' 57' ' ' MET . 39.0 t -72.85 -30.5 32.96 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.292 -0.88 . . . . 0.0 109.649 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.544 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 32.9 t0 -79.78 -18.65 50.49 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.955 -1.091 . . . . 0.0 108.842 179.42 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.86 -49.15 11.41 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.346 -0.846 . . . . 0.0 109.299 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.772 HG22 ' O ' ' A' ' 52' ' ' VAL . 2.1 m -76.71 -35.48 25.12 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 O-C-N 121.194 -0.941 . . . . 0.0 108.662 179.517 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.548 ' CB ' ' O ' ' A' ' 53' ' ' VAL . 4.1 ttm -71.12 -24.85 62.37 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 179.133 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 54' ' ' ASP . 22.6 mt-10 -73.48 -55.17 6.69 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 179.317 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.474 ' O ' ' OD2' ' A' ' 63' ' ' ASP . 8.8 m -60.89 -26.98 67.81 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.135 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.726 HD13 ' HG3' ' A' ' 33' ' ' LYS . 10.5 mt -66.08 -54.13 29.5 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 179.391 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.2 -3.99 51.3 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.618 -0.676 . . . . 0.0 109.795 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -79.91 -42.71 23.57 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.134 -0.979 . . . . 0.0 110.073 -179.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.474 ' OD2' ' O ' ' A' ' 59' ' ' THR . 0.0 OUTLIER -94.58 -60.34 1.73 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.201 -0.937 . . . . 0.0 109.56 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.518 ' HA2' ' HD3' ' A' ' 29' ' ' LYS . . . 44.3 25.9 0.85 Allowed Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.25 -1.54 . . . . 0.0 109.25 -179.736 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 63' ' ' ASP . 22.7 t0 -143.83 -7.54 0.74 Allowed 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.309 -1.113 . . . . 0.0 110.846 -179.154 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.481 ' O ' ' HG3' ' A' ' 29' ' ' LYS . . . -115.14 -164.06 14.27 Favored Glycine 0 N--CA 1.488 2.136 0 O-C-N 120.672 -1.267 . . . . 0.0 110.238 -179.217 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.488 ' HA ' ' HA ' ' A' ' 28' ' ' LYS . 1.6 mp0 -121.46 155.28 35.24 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.407 -1.055 . . . . 0.0 109.495 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 15.1 m -99.97 165.3 11.61 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.223 -0.923 . . . . 0.0 109.598 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -102.02 -163.6 1.02 Allowed 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.205 -0.935 . . . . 0.0 109.39 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.629 ' CZ ' ' CG ' ' A' ' 71' ' ' GLN . 10.4 p90 -92.54 -33.53 14.42 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.262 -0.899 . . . . 0.0 109.229 179.753 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.629 ' CG ' ' CZ ' ' A' ' 70' ' ' PHE . 4.6 mt-30 -80.26 -23.62 40.66 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 178.66 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -78.09 -54.28 6.44 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.799 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -64.54 -19.31 65.55 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.292 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.834 ' HE1' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -78.27 -52.32 8.83 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.407 -0.808 . . . . 0.0 109.418 179.89 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.509 ' O ' ' HG3' ' A' ' 79' ' ' MET . . . -70.53 -17.54 62.94 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.266 -0.896 . . . . 0.0 108.929 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.639 ' O ' HG22 ' A' ' 80' ' ' VAL . 1.5 m-85 -80.14 -39.27 29.79 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.444 -0.785 . . . . 0.0 109.541 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.799 HG23 ' O ' ' A' ' 73' ' ' PHE . 59.8 t -71.51 -26.91 27.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 O-C-N 121.226 -0.921 . . . . 0.0 110.325 -179.576 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.65 ' HA ' ' HE2' ' B' ' 7' ' ' MET . 3.7 m -77.8 -44.39 27.62 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.09 -1.006 . . . . 0.0 110.409 -179.294 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.509 ' HG3' ' O ' ' A' ' 75' ' ' ALA . 1.9 mmm -57.58 -44.8 85.6 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.085 -1.01 . . . . 0.0 110.468 -179.221 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.733 HG21 HG21 ' A' ' 36' ' ' ILE . 2.6 m -69.98 -40.67 78.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.133 -0.98 . . . . 0.0 110.681 -178.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.645 HG21 ' HG3' ' B' ' 7' ' ' MET . 2.0 m -67.07 -8.63 31.94 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.731 -1.231 . . . . 0.0 109.304 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.566 ' HB ' ' CE2' ' B' ' 70' ' ' PHE . 10.4 p -117.2 -0.4 12.08 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.297 -0.877 . . . . 0.0 109.709 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.489 ' CB ' HG23 ' A' ' 53' ' ' VAL . . . -61.06 -64.06 1.08 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.158 -0.964 . . . . 0.0 109.608 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -50.63 132.08 25.64 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.188 -0.945 . . . . 0.0 109.502 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.43 ' CG ' ' HD3' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -67.55 -47.17 70.62 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.115 -0.991 . . . . 0.0 109.46 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.498 ' O ' ' CG ' ' A' ' 86' ' ' GLU . 1.5 pt-20 -75.4 100.87 4.58 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.302 -0.874 . . . . 0.0 109.334 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.453 ' CE2' ' CE2' ' B' ' 70' ' ' PHE . 0.1 OUTLIER -121.46 -11.59 8.7 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.169 -0.957 . . . . 0.0 109.45 179.781 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.638 ' HE1' HG23 ' B' ' 11' ' ' ILE . 11.8 m-85 -118.44 5.99 11.78 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.149 -0.969 . . . . 0.0 109.47 179.643 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -122.0 99.67 6.56 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.189 -0.945 . . . . 0.0 109.85 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.43 ' O ' ' ND1' ' A' ' 90' ' ' HIS . 0.0 OUTLIER -119.33 71.49 0.87 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.29 -0.881 . . . . 0.0 109.728 179.758 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.612 0 O-C-N 121.069 -1.019 . . . . 0.0 109.46 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 6.1 ptm . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' SER . . . . . 0.441 ' HB2' ' HG3' ' A' ' 39' ' ' GLU . 17.0 p -130.12 177.52 7.24 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.215 -0.928 . . . . 0.0 109.528 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.484 ' CB ' HG22 ' A' ' 13' ' ' VAL . 11.7 mm-40 -80.74 -58.4 3.12 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.271 -0.893 . . . . 0.0 110.617 -179.478 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.913 HD22 HD12 ' A' ' 35' ' ' LEU . 1.6 tp -60.25 -30.99 69.78 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.217 -0.927 . . . . 0.0 110.686 -178.749 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.606 ' O ' HG23 ' B' ' 8' ' ' VAL . 17.1 tt0 -72.88 -65.81 0.75 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.911 -1.118 . . . . 0.0 110.643 -178.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.492 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 0.5 OUTLIER -54.85 -36.7 65.34 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.82 -1.175 . . . . 0.0 109.852 -179.198 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -81.07 -69.9 0.57 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.268 -0.895 . . . . 0.0 110.647 -179.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' MET . . . . . 0.65 ' HE2' ' HA ' ' A' ' 78' ' ' SER . 11.9 tpt -48.81 -54.17 16.24 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.28 -0.888 . . . . 0.0 109.557 -179.312 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.606 HG23 ' O ' ' B' ' 4' ' ' GLU . 15.6 t -56.12 -33.93 37.76 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 O-C-N 121.497 -0.752 . . . . 0.0 109.828 -179.726 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.492 ' HB2' ' O ' ' B' ' 5' ' ' LYS . . . -60.68 -35.64 76.77 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.069 -1.02 . . . . 0.0 108.941 179.64 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.836 HD13 ' CE ' ' B' ' 74' ' ' MET . 0.4 OUTLIER -58.72 -50.2 74.77 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.226 -0.921 . . . . 0.0 108.761 179.48 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.638 HG23 ' HE1' ' A' ' 88' ' ' PHE . 20.7 mt -50.44 -27.26 4.29 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 179.283 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -72.08 -45.44 60.67 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.58 -0.7 . . . . 0.0 109.685 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.496 HG22 ' CB ' ' A' ' 2' ' ' GLU . 24.4 t -50.02 -46.08 23.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.4 -0.812 . . . . 0.0 109.655 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.544 ' HB3' ' CZ ' ' A' ' 88' ' ' PHE . 0.1 OUTLIER -61.17 -41.23 96.41 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.047 -1.033 . . . . 0.0 109.549 -179.696 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -69.72 -18.87 63.55 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.213 -0.93 . . . . 0.0 109.254 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' B' ' 17' ' ' TYR . 28.0 tt0 -95.27 -77.71 0.47 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.363 -0.836 . . . . 0.0 109.609 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.49 ' CG ' HD21 ' B' ' 35' ' ' LEU . 4.9 m-85 -43.17 -51.93 5.78 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.259 -0.901 . . . . 0.0 109.717 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.3 -30.99 68.12 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.223 -0.923 . . . . 0.0 109.596 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' GLY . . . . . 0.46 ' HA2' ' HG3' ' B' ' 24' ' ' LYS . . . -70.6 -3.91 50.58 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.707 -1.357 . . . . 0.0 109.707 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' B' ' 17' ' ' TYR . 14.2 mtt180 -61.52 -67.51 0.4 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.254 -1.145 . . . . 0.0 109.728 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -79.94 -170.2 2.34 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.38 -0.825 . . . . 0.0 109.938 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' B' ' 23' ' ' ASP . . . -57.81 -57.84 17.7 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.93 -1.268 . . . . 0.0 109.93 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.435 ' HB2' ' HG2' ' B' ' 26' ' ' LYS . 4.7 p-10 -43.67 147.21 0.46 Allowed 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.337 -1.096 . . . . 0.0 109.893 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.513 ' C ' ' CG ' ' B' ' 25' ' ' HIS . 0.0 OUTLIER -140.09 20.79 2.45 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.352 -0.843 . . . . 0.0 109.183 179.628 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 25' ' ' HIS . . . . . 0.513 ' CG ' ' C ' ' B' ' 24' ' ' LYS . 11.5 m-70 -153.93 17.68 0.51 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.206 -0.934 . . . . 0.0 109.834 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.435 ' HG2' ' HB2' ' B' ' 23' ' ' ASP . 0.0 OUTLIER -150.39 130.74 13.73 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.176 -0.953 . . . . 0.0 109.5 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 3.6 tp -98.98 -166.54 1.37 Allowed 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.351 -0.843 . . . . 0.0 109.294 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.486 ' HA ' ' HA ' ' B' ' 67' ' ' GLU . 2.7 ttmt -130.85 134.02 46.44 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.377 -0.827 . . . . 0.0 108.973 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.587 ' HD2' ' N ' ' B' ' 30' ' ' SER . 0.0 OUTLIER -41.0 -30.01 0.12 Allowed 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.233 -0.917 . . . . 0.0 110.542 -179.131 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.587 ' N ' ' HD2' ' B' ' 29' ' ' LYS . 7.1 t -80.17 -40.91 26.34 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.916 -1.115 . . . . 0.0 110.047 -179.469 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.511 ' O ' ' HB2' ' B' ' 35' ' ' LEU . 1.1 tp10 -72.68 -16.86 61.68 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.059 -1.026 . . . . 0.0 108.642 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.474 ' O ' HG13 ' B' ' 36' ' ' ILE . 23.1 tp -81.46 -55.2 4.84 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 178.715 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.723 ' HG3' HD13 ' B' ' 60' ' ' LEU . 23.2 tttt -55.38 -36.31 66.25 Favored 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 178.464 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.53 ' O ' ' CB ' ' B' ' 38' ' ' ASN . 0.1 OUTLIER -73.9 -35.98 64.72 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 179.337 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.958 HD12 HD22 ' A' ' 3' ' ' LEU . 0.1 OUTLIER -57.44 -38.96 75.26 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.51 -0.744 . . . . 0.0 109.381 179.702 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.725 HG21 HG21 ' B' ' 80' ' ' VAL . 0.7 OUTLIER -81.04 -52.78 13.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.393 -0.817 . . . . 0.0 110.698 -179.331 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.441 ' OD1' ' O ' ' B' ' 37' ' ' ASN . 20.8 t-20 -75.12 -1.56 23.64 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.213 -0.93 . . . . 0.0 110.944 -178.471 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.53 ' CB ' ' O ' ' B' ' 34' ' ' GLU . 11.3 t30 -111.17 -63.75 1.37 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.791 -1.193 . . . . 0.0 109.723 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.551 ' HB3' ' CB ' ' A' ' 3' ' ' LEU . 1.0 OUTLIER -64.04 -57.19 10.41 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.123 -0.986 . . . . 0.0 109.501 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.628 HD11 ' HG2' ' A' ' 7' ' ' MET . 9.3 mt -73.75 -101.51 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.115 -0.991 . . . . 0.0 109.226 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.447 ' C ' ' O ' ' B' ' 40' ' ' LEU . 9.6 t 39.36 88.79 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.272 -0.892 . . . . 0.0 110.075 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -167.07 -59.66 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.244 -0.91 . . . . 0.0 109.734 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 43' ' ' PHE . . . . . 0.414 ' HE2' HD22 ' B' ' 40' ' ' LEU . 36.1 p90 -88.1 23.77 2.01 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.138 -0.976 . . . . 0.0 109.823 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -87.49 125.15 34.14 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.178 -0.952 . . . . 0.0 108.956 179.512 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -130.41 -78.12 0.54 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.291 -0.881 . . . . 0.0 109.769 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -106.93 -22.69 12.6 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.371 -0.83 . . . . 0.0 109.978 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 15.6 mt 61.11 88.8 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.105 -0.997 . . . . 0.0 109.131 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.429 ' HD3' ' CG ' ' B' ' 85' ' ' HIS . 24.7 tttt -71.74 -33.21 68.5 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.108 -0.995 . . . . 0.0 109.965 -179.516 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.811 ' OE1' HG23 ' B' ' 52' ' ' VAL . 10.3 mm-40 -86.03 60.81 6.46 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.113 -0.992 . . . . 0.0 109.361 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 50' ' ' GLN . . . . . 0.555 ' O ' ' CB ' ' B' ' 54' ' ' ASP . 37.6 tt0 -54.1 -21.7 9.17 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.276 -0.89 . . . . 0.0 109.101 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -80.03 -35.97 36.47 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.286 -0.884 . . . . 0.0 109.657 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.811 HG23 ' OE1' ' B' ' 49' ' ' GLU . 63.2 t -68.77 -51.21 47.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.253 -0.905 . . . . 0.0 109.417 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.541 ' O ' ' CB ' ' B' ' 57' ' ' MET . 38.8 t -72.87 -30.49 32.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.222 -0.924 . . . . 0.0 109.594 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 54' ' ' ASP . . . . . 0.555 ' CB ' ' O ' ' B' ' 50' ' ' GLN . 32.9 t0 -79.81 -18.61 50.51 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.974 -1.079 . . . . 0.0 108.743 179.437 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.94 -49.16 11.33 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.324 -0.86 . . . . 0.0 109.319 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.778 HG22 ' O ' ' B' ' 52' ' ' VAL . 2.2 m -76.69 -35.49 25.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.132 -0.98 . . . . 0.0 108.678 179.466 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.541 ' CB ' ' O ' ' B' ' 53' ' ' VAL . 4.1 ttm -71.3 -24.75 62.2 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.158 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 58' ' ' GLU . . . . . 0.496 ' CG ' ' O ' ' B' ' 54' ' ' ASP . 22.4 mt-10 -73.48 -55.16 6.7 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.302 -0.874 . . . . 0.0 108.707 179.25 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 59' ' ' THR . . . . . 0.481 ' O ' ' OD2' ' B' ' 63' ' ' ASP . 8.5 m -60.8 -27.02 67.7 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.025 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.723 HD13 ' HG3' ' B' ' 33' ' ' LYS . 10.5 mt -66.12 -54.02 30.67 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.521 -0.737 . . . . 0.0 109.126 179.36 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.29 -3.96 51.44 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.636 -0.665 . . . . 0.0 109.725 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 72.1 tt0 -80.0 -42.63 23.47 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.125 -0.985 . . . . 0.0 109.98 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.481 ' OD2' ' O ' ' B' ' 59' ' ' THR . 0.0 OUTLIER -94.53 -60.44 1.71 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.248 -0.907 . . . . 0.0 109.691 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 64' ' ' GLY . . . . . 0.519 ' HA2' ' HD3' ' B' ' 29' ' ' LYS . . . 44.37 25.99 0.89 Allowed Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.273 -1.531 . . . . 0.0 109.273 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' B' ' 63' ' ' ASP . 22.6 t0 -143.9 -7.53 0.74 Allowed 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.306 -1.114 . . . . 0.0 110.876 -179.112 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.472 ' O ' ' HG3' ' B' ' 29' ' ' LYS . . . -115.19 -164.14 14.27 Favored Glycine 0 N--CA 1.488 2.119 0 C-N-CA 119.697 -1.24 . . . . 0.0 110.307 -179.187 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.486 ' HA ' ' HA ' ' B' ' 28' ' ' LYS . 1.6 mp0 -121.34 155.24 35.17 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.38 -1.071 . . . . 0.0 109.494 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 14.8 m -100.03 165.31 11.59 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.157 -0.964 . . . . 0.0 109.568 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -102.01 -163.59 1.02 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.257 -0.902 . . . . 0.0 109.456 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.621 ' CZ ' ' CG ' ' B' ' 71' ' ' GLN . 10.3 p90 -92.5 -33.56 14.43 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.226 -0.921 . . . . 0.0 109.205 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.621 ' CG ' ' CZ ' ' B' ' 70' ' ' PHE . 4.6 mt-30 -80.32 -23.57 40.52 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 178.672 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -78.2 -54.19 6.51 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.796 ' O ' HG23 ' B' ' 77' ' ' VAL . 0.0 OUTLIER -64.62 -19.35 65.64 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 179.312 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.836 ' CE ' HD13 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -78.22 -52.25 8.96 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.412 -0.805 . . . . 0.0 109.478 179.861 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.506 ' O ' ' HG3' ' B' ' 79' ' ' MET . . . -70.7 -17.3 62.83 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.19 -0.944 . . . . 0.0 108.927 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.648 ' O ' HG22 ' B' ' 80' ' ' VAL . 1.5 m-85 -80.3 -39.2 29.24 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.447 -0.783 . . . . 0.0 109.586 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.796 HG23 ' O ' ' B' ' 73' ' ' PHE . 59.9 t -71.47 -26.96 27.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.294 -0.879 . . . . 0.0 110.256 -179.581 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 78' ' ' SER . . . . . 0.64 ' HA ' ' HE2' ' A' ' 7' ' ' MET . 3.7 m -77.85 -44.38 27.46 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.053 -1.03 . . . . 0.0 110.453 -179.263 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 79' ' ' MET . . . . . 0.506 ' HG3' ' O ' ' B' ' 75' ' ' ALA . 1.9 mmm -57.51 -44.82 85.34 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.069 -1.02 . . . . 0.0 110.488 -179.276 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.725 HG21 HG21 ' B' ' 36' ' ' ILE . 2.6 m -70.04 -40.65 78.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.18 -0.95 . . . . 0.0 110.687 -178.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.626 HG21 ' HG3' ' A' ' 7' ' ' MET . 2.0 m -67.09 -8.6 31.86 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.825 -1.172 . . . . 0.0 109.266 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.576 ' HB ' ' CE2' ' A' ' 70' ' ' PHE . 10.3 p -117.18 -0.44 12.08 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.173 -0.955 . . . . 0.0 109.655 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.488 ' CB ' HG23 ' B' ' 53' ' ' VAL . . . -61.01 -64.04 1.09 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.122 -0.986 . . . . 0.0 109.716 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -50.58 132.1 25.45 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.327 -0.858 . . . . 0.0 109.492 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 85' ' ' HIS . . . . . 0.429 ' CG ' ' HD3' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -67.49 -47.21 70.71 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.273 -0.892 . . . . 0.0 109.43 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 86' ' ' GLU . . . . . 0.494 ' O ' ' CG ' ' B' ' 86' ' ' GLU . 1.5 pt-20 -75.3 100.72 4.47 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.298 -0.876 . . . . 0.0 109.475 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 87' ' ' PHE . . . . . 0.464 ' CE2' ' CE2' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -121.37 -11.56 8.74 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.202 -0.936 . . . . 0.0 109.508 179.88 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.618 ' HE1' HG23 ' A' ' 11' ' ' ILE . 11.9 m-85 -118.51 5.91 11.72 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.243 -0.911 . . . . 0.0 109.374 179.726 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -121.92 99.51 6.48 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.124 -0.985 . . . . 0.0 109.85 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 90' ' ' HIS . . . . . 0.432 ' O ' ' ND1' ' B' ' 90' ' ' HIS . 0.0 OUTLIER -119.16 71.44 0.86 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.214 -0.929 . . . . 0.0 109.789 179.703 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 117.944 -1.027 . . . . 0.0 109.417 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.52 ' CB ' ' OE1' ' B' ' 39' ' ' GLU . 0.9 OUTLIER -139.15 173.57 11.42 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.351 -0.843 . . . . 0.0 109.504 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.836 ' HB3' HG22 ' B' ' 13' ' ' VAL . 4.0 tp10 -78.45 -61.01 2.14 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.257 -0.902 . . . . 0.0 109.765 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.9 HD23 ' HB2' ' B' ' 39' ' ' GLU . 4.0 tp -62.59 -53.83 48.71 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.358 -0.839 . . . . 0.0 110.181 -179.626 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.532 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 2.6 tm-20 -48.22 -35.97 12.92 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.127 -0.983 . . . . 0.0 110.253 -178.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.553 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -80.15 -33.36 38.55 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.965 -1.084 . . . . 0.0 109.813 -179.661 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.593 ' CB ' ' HB3' ' B' ' 9' ' ' ALA . . . -80.8 -67.78 0.74 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.23 -0.919 . . . . 0.0 110.001 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.995 ' HE2' HG12 ' B' ' 77' ' ' VAL . 7.0 tpp -46.18 -51.49 14.06 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.413 -0.804 . . . . 0.0 109.864 -179.557 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.532 ' CG2' ' O ' ' A' ' 4' ' ' GLU . 21.5 t -64.04 -31.8 54.74 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.561 0 O-C-N 121.343 -0.848 . . . . 0.0 109.746 -179.254 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.588 ' HB3' ' CB ' ' B' ' 6' ' ' ALA . . . -65.29 -34.56 78.62 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.233 -0.917 . . . . 0.0 109.448 179.736 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.799 HD22 ' SD ' ' A' ' 74' ' ' MET . 0.6 OUTLIER -63.13 -62.58 1.61 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.368 -0.833 . . . . 0.0 109.173 179.81 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.616 HD11 ' O ' ' B' ' 81' ' ' THR . 52.8 mt -46.04 -28.61 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 O-C-N 121.333 -0.854 . . . . 0.0 108.752 179.576 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 13' ' ' VAL . 15.4 t0 -62.6 -51.85 65.68 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.507 -0.746 . . . . 0.0 109.04 179.455 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.809 HG22 ' HB3' ' B' ' 2' ' ' GLU . 36.4 t -45.53 -34.26 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.275 -0.891 . . . . 0.0 109.078 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.619 ' CD1' ' CE1' ' A' ' 73' ' ' PHE . 15.3 t80 -62.31 -49.74 74.42 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.297 -0.877 . . . . 0.0 109.096 179.695 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.521 ' O ' ' CG ' ' A' ' 15' ' ' HIS . 4.0 t-80 -75.77 -4.95 43.41 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.259 -0.9 . . . . 0.0 109.038 179.624 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.493 ' HB2' ' HA ' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -74.15 -37.53 64.0 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.21 -0.931 . . . . 0.0 109.662 -179.709 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.529 ' OH ' ' CD2' ' A' ' 35' ' ' LEU . 8.7 p90 -159.61 33.02 0.19 Allowed 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.203 -0.936 . . . . 0.0 109.287 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.536 ' HA ' ' CD1' ' A' ' 27' ' ' LEU . 0.4 OUTLIER -59.39 -39.09 82.27 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.29 -0.881 . . . . 0.0 109.414 -179.923 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.484 ' O ' ' C ' ' A' ' 20' ' ' ARG . . . 173.29 69.15 0.05 OUTLIER Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.484 ' C ' ' O ' ' A' ' 19' ' ' GLY . 10.8 mtm180 -35.94 -42.59 0.28 Allowed 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.709 -0.877 . . . . 0.0 110.183 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -125.68 -158.1 0.82 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.362 -0.836 . . . . 0.0 109.561 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.39 -128.31 45.91 Favored Glycine 0 N--CA 1.489 2.223 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -70.82 -173.04 0.72 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.187 -1.184 . . . . 0.0 109.363 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.469 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 1.2 tttt -132.4 128.95 38.65 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.263 -0.898 . . . . 0.0 109.736 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.551 ' NE2' ' HB3' ' B' ' 88' ' ' PHE . 25.6 m-70 61.81 27.61 16.87 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.344 -0.847 . . . . 0.0 110.006 179.526 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.469 ' HG2' ' O ' ' A' ' 24' ' ' LYS . 6.2 mmtt -122.56 125.67 46.18 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.25 -0.906 . . . . 0.0 109.433 179.706 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.536 ' CD1' ' HA ' ' A' ' 18' ' ' SER . 1.6 tp -96.89 -158.29 0.65 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.225 -0.922 . . . . 0.0 109.507 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -150.47 -173.2 4.39 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.077 -1.015 . . . . 0.0 109.771 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.477 ' HG3' ' HB2' ' A' ' 63' ' ' ASP . 14.5 mmtt -80.78 -29.41 36.15 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.237 -0.914 . . . . 0.0 109.651 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 29.6 p -80.67 -36.39 32.46 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.138 -0.976 . . . . 0.0 109.553 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.472 ' O ' ' HB2' ' A' ' 35' ' ' LEU . 2.5 tt0 -80.49 -24.86 39.15 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.151 -0.968 . . . . 0.0 108.821 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.783 HD13 ' HB2' ' A' ' 73' ' ' PHE . 50.6 tp -80.39 -42.14 23.34 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 179.177 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.534 ' HA ' HD13 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -60.63 -35.61 76.6 Favored 'General case' 0 N--CA 1.485 1.301 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.356 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.585 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 0.0 OUTLIER -80.32 -32.46 37.92 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 179.141 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.55 ' N ' ' HG3' ' A' ' 34' ' ' GLU . 0.1 OUTLIER -53.58 -48.42 69.22 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-O 121.727 0.775 . . . . 0.0 108.939 179.341 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.711 ' HA ' HD23 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -80.42 -54.35 10.86 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 O-C-N 121.595 -0.691 . . . . 0.0 110.582 -179.357 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -70.41 -0.69 8.75 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 120.827 -1.171 . . . . 0.0 112.015 -177.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.585 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 22.7 t-20 -102.91 -33.0 9.48 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.525 -1.359 . . . . 0.0 110.553 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.892 ' HB2' HD23 ' B' ' 3' ' ' LEU . 3.7 mm-40 -114.52 -26.14 8.05 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.804 -1.185 . . . . 0.0 110.605 -179.044 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.711 HD23 ' HA ' ' A' ' 36' ' ' ILE . 1.2 mm? -79.41 -52.81 7.59 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 40' ' ' LEU . 26.6 t -39.25 97.23 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.462 0 CA-C-O 121.315 0.579 . . . . 0.0 109.869 179.629 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.456 ' N ' ' O ' ' A' ' 40' ' ' LEU . 49.1 t-80 -179.59 -34.04 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.332 -0.855 . . . . 0.0 109.169 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.467 ' O ' ' HB2' ' A' ' 85' ' ' HIS . 0.0 OUTLIER -116.74 25.12 10.78 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.373 -0.829 . . . . 0.0 108.905 179.63 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.448 ' HG ' HD11 ' A' ' 47' ' ' ILE . 8.1 mp -97.72 115.53 28.16 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.295 -0.878 . . . . 0.0 109.56 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -125.91 -75.18 0.59 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.271 -0.893 . . . . 0.0 109.307 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.405 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 7.5 mt-10 -90.68 -45.58 8.78 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.311 -0.868 . . . . 0.0 109.498 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.448 HD11 ' HG ' ' A' ' 44' ' ' LEU . 10.2 mm 66.37 82.17 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.264 -0.898 . . . . 0.0 109.45 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.27 -34.04 72.32 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.213 -0.929 . . . . 0.0 109.628 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.944 ' OE1' HG23 ' A' ' 52' ' ' VAL . 13.4 mm-40 -85.96 61.74 7.02 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.117 -0.989 . . . . 0.0 109.215 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.472 ' O ' ' HB2' ' A' ' 54' ' ' ASP . 6.8 tt0 -55.89 -24.63 38.53 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.157 -0.964 . . . . 0.0 109.502 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.477 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 1.8 mt-10 -77.02 -32.39 57.05 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.167 -0.958 . . . . 0.0 109.7 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.944 HG23 ' OE1' ' A' ' 49' ' ' GLU . 78.4 t -69.49 -49.93 55.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.268 -0.895 . . . . 0.0 109.865 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 72.6 t -75.15 -30.52 23.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.264 -0.897 . . . . 0.0 109.438 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.472 ' HB2' ' O ' ' A' ' 50' ' ' GLN . 1.8 m-20 -79.78 -18.18 51.62 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.185 -0.947 . . . . 0.0 108.811 179.306 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.477 ' HB2' ' O ' ' A' ' 51' ' ' GLU . 7.3 tmtt? -78.47 -45.8 21.25 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.381 -0.824 . . . . 0.0 109.12 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.906 HG21 ' CG1' ' A' ' 80' ' ' VAL . 4.2 m -76.14 -38.74 35.02 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 O-C-N 121.137 -0.977 . . . . 0.0 108.892 179.435 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 47.5 tpp -68.92 -23.75 64.21 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.104 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.459 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 10.0 mt-10 -74.12 -56.88 4.4 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.377 -0.827 . . . . 0.0 109.112 179.585 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.5 m -60.32 -26.84 66.86 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.388 -0.968 . . . . 0.0 108.388 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.534 HD13 ' HA ' ' A' ' 33' ' ' LYS . 10.6 mt -67.38 -53.74 26.61 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-O 121.534 0.683 . . . . 0.0 109.438 179.606 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.83 -5.57 51.31 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.37 -0.831 . . . . 0.0 109.81 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -73.5 -57.59 3.9 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.191 -0.943 . . . . 0.0 109.692 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.477 ' HB2' ' HG3' ' A' ' 29' ' ' LYS . 0.8 OUTLIER -79.37 -64.16 1.25 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.347 -0.846 . . . . 0.0 109.454 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.444 ' O ' ' HB2' ' A' ' 29' ' ' LYS . . . 93.29 -51.74 2.44 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -125.6 32.05 5.4 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.347 -1.09 . . . . 0.0 109.356 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.92 162.9 30.34 Favored Glycine 0 N--CA 1.488 2.165 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -89.34 148.35 23.57 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.231 -1.158 . . . . 0.0 109.486 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.481 ' HB3' ' OE2' ' A' ' 72' ' ' GLU . 3.8 m -127.38 153.69 45.92 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.199 -0.938 . . . . 0.0 109.571 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -92.83 -178.0 4.7 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.25 -0.906 . . . . 0.0 109.122 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.611 ' CD2' HG22 ' B' ' 82' ' ' THR . 41.5 p90 -83.58 -28.04 28.83 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.19 -0.943 . . . . 0.0 109.962 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.61 ' HG3' ' CE2' ' A' ' 70' ' ' PHE . 3.9 mt-30 -80.12 -22.24 42.34 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.157 -0.964 . . . . 0.0 109.673 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.545 ' HG3' ' N ' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -80.41 -37.79 31.45 Favored 'General case' 0 C--N 1.307 -1.282 0 O-C-N 121.004 -1.06 . . . . 0.0 109.264 -179.738 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.791 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -78.85 -26.48 44.06 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 179.394 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.799 ' SD ' HD22 ' A' ' 10' ' ' LEU . 3.9 mmm -76.85 -45.72 27.31 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.609 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.494 ' O ' ' HG2' ' A' ' 79' ' ' MET . . . -70.66 -22.2 62.52 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 179.272 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.656 ' O ' HG22 ' A' ' 80' ' ' VAL . 1.5 m-85 -78.93 -36.87 41.11 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 179.487 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.954 HG12 ' HE2' ' B' ' 7' ' ' MET . 53.9 t -64.23 -26.09 39.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.579 -0.701 . . . . 0.0 109.498 179.741 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 79' ' ' MET . 0.1 OUTLIER -79.52 -66.14 0.91 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.331 -0.856 . . . . 0.0 110.324 -179.374 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.595 ' O ' HG11 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -43.52 -32.36 0.9 Allowed 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.168 -0.958 . . . . 0.0 110.241 -178.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.906 ' CG1' HG21 ' A' ' 56' ' ' VAL . 29.8 m -80.16 -46.04 22.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 120.991 -1.068 . . . . 0.0 110.14 -179.456 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.812 HG21 ' CG ' ' B' ' 7' ' ' MET . 0.6 OUTLIER -78.03 2.52 17.5 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.922 -1.111 . . . . 0.0 109.233 179.512 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.603 HG22 ' CD2' ' B' ' 70' ' ' PHE . 0.2 OUTLIER -135.94 5.77 3.1 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.332 -0.855 . . . . 0.0 109.464 -179.909 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.439 ' O ' ' HG3' ' A' ' 49' ' ' GLU . . . -49.15 -71.63 0.06 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.251 -0.906 . . . . 0.0 109.419 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 174.28 43.39 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.217 -0.927 . . . . 0.0 109.759 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.471 ' CD2' ' HB3' ' A' ' 87' ' ' PHE . 0.4 OUTLIER -77.16 -170.72 1.78 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.21 -0.931 . . . . 0.0 109.379 179.8 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' ' 86' ' ' GLU . 30.8 tt0 -95.35 55.11 1.69 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.108 -0.995 . . . . 0.0 109.465 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.689 ' CZ ' ' CE2' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -81.5 -172.32 3.77 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.257 -0.902 . . . . 0.0 110.192 -179.889 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.689 ' CE2' ' CZ ' ' A' ' 87' ' ' PHE . 22.9 m-30 55.12 28.18 10.57 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.264 -0.897 . . . . 0.0 109.501 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -111.35 -70.86 0.79 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.248 -0.908 . . . . 0.0 109.244 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -154.96 24.55 0.43 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.482 -0.762 . . . . 0.0 109.275 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 117.996 -1.002 . . . . 0.0 109.493 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 1' ' ' SER . . . . . 0.513 ' CB ' ' OE1' ' A' ' 39' ' ' GLU . 0.9 OUTLIER -139.19 173.54 11.45 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.199 -0.938 . . . . 0.0 109.49 -179.937 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.809 ' HB3' HG22 ' A' ' 13' ' ' VAL . 4.0 tp10 -78.53 -60.9 2.19 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.402 -0.811 . . . . 0.0 109.782 -179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.892 HD23 ' HB2' ' A' ' 39' ' ' GLU . 4.0 tp -62.6 -53.92 47.42 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.418 -0.801 . . . . 0.0 110.039 -179.594 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.527 ' O ' ' CG2' ' B' ' 8' ' ' VAL . 2.6 tm-20 -48.21 -35.94 12.81 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 121.095 -1.003 . . . . 0.0 110.349 -178.773 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.546 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 0.0 OUTLIER -80.18 -33.39 38.37 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.861 -1.149 . . . . 0.0 109.797 -179.697 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.588 ' CB ' ' HB3' ' A' ' 9' ' ' ALA . . . -80.8 -67.78 0.74 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.357 -0.839 . . . . 0.0 110.0 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 7' ' ' MET . . . . . 0.954 ' HE2' HG12 ' A' ' 77' ' ' VAL . 7.0 tpp -46.17 -51.58 13.88 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.309 -0.869 . . . . 0.0 109.8 -179.555 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.527 ' CG2' ' O ' ' B' ' 4' ' ' GLU . 21.5 t -63.92 -31.91 55.07 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.601 0 O-C-N 121.365 -0.835 . . . . 0.0 109.821 -179.301 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.593 ' HB3' ' CB ' ' A' ' 6' ' ' ALA . . . -65.31 -34.47 78.41 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.133 -0.98 . . . . 0.0 109.462 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.788 HD22 ' SD ' ' B' ' 74' ' ' MET . 0.6 OUTLIER -63.21 -62.52 1.64 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.445 -0.785 . . . . 0.0 109.095 179.816 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.608 HD11 ' O ' ' A' ' 81' ' ' THR . 53.7 mt -46.1 -28.57 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.434 0 O-C-N 121.359 -0.838 . . . . 0.0 108.761 179.567 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' B' ' 13' ' ' VAL . 15.4 t0 -62.65 -51.84 65.69 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.357 -0.839 . . . . 0.0 109.082 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.836 HG22 ' HB3' ' A' ' 2' ' ' GLU . 36.3 t -45.51 -34.36 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.283 -0.886 . . . . 0.0 109.043 179.689 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.615 ' CD1' ' CE1' ' B' ' 73' ' ' PHE . 15.3 t80 -62.15 -49.84 74.27 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.349 -0.845 . . . . 0.0 109.178 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 15' ' ' HIS . . . . . 0.525 ' O ' ' CG ' ' B' ' 15' ' ' HIS . 4.1 t-80 -75.61 -5.04 43.44 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.271 -0.893 . . . . 0.0 109.15 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.487 ' HB2' ' HA ' ' B' ' 13' ' ' VAL . 0.5 OUTLIER -73.98 -37.65 64.39 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.214 -0.929 . . . . 0.0 109.775 -179.727 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.53 ' OH ' ' CD2' ' B' ' 35' ' ' LEU . 8.7 p90 -159.57 32.97 0.19 Allowed 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.302 -0.874 . . . . 0.0 109.239 -179.745 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.54 ' HA ' ' CD1' ' B' ' 27' ' ' LEU . 0.4 OUTLIER -59.32 -39.04 81.83 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.449 -0.782 . . . . 0.0 109.399 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 19' ' ' GLY . . . . . 0.464 ' O ' ' C ' ' B' ' 20' ' ' ARG . . . 173.26 69.22 0.05 OUTLIER Glycine 0 N--CA 1.488 2.162 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.464 ' C ' ' O ' ' B' ' 19' ' ' GLY . 10.8 mtm180 -36.07 -42.56 0.3 Allowed 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.69 -0.888 . . . . 0.0 110.106 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -125.65 -157.99 0.82 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.282 -0.886 . . . . 0.0 109.496 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.26 -128.36 45.77 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -70.74 -173.12 0.72 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.2 -1.176 . . . . 0.0 109.379 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.475 ' O ' ' HG2' ' B' ' 26' ' ' LYS . 1.1 tttt -132.42 128.82 38.34 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.267 -0.896 . . . . 0.0 109.695 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 25' ' ' HIS . . . . . 0.521 ' NE2' ' HB3' ' A' ' 88' ' ' PHE . 25.8 m-70 61.82 27.59 16.85 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.371 -0.83 . . . . 0.0 110.106 179.569 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.475 ' HG2' ' O ' ' B' ' 24' ' ' LYS . 6.3 mmtt -122.64 125.79 46.33 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.245 -0.909 . . . . 0.0 109.376 179.64 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.54 ' CD1' ' HA ' ' B' ' 18' ' ' SER . 1.6 tp -96.87 -158.25 0.65 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.215 -0.928 . . . . 0.0 109.53 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -150.45 -173.15 4.37 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.11 -0.994 . . . . 0.0 109.767 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.47 ' HG3' ' CB ' ' B' ' 63' ' ' ASP . 14.5 mmtt -80.82 -29.4 35.95 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.14 -0.975 . . . . 0.0 109.705 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 29.8 p -80.63 -36.48 32.54 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.124 -0.985 . . . . 0.0 109.536 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.476 ' O ' ' HB2' ' B' ' 35' ' ' LEU . 2.5 tt0 -80.57 -24.84 38.93 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.076 -1.015 . . . . 0.0 108.769 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.783 HD13 ' HB2' ' B' ' 73' ' ' PHE . 50.8 tp -80.35 -42.23 23.29 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 179.16 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.521 ' HA ' HD13 ' B' ' 60' ' ' LEU . 0.4 OUTLIER -60.57 -35.68 76.66 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 179.3 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.579 ' O ' ' CB ' ' B' ' 38' ' ' ASN . 0.0 OUTLIER -80.34 -32.44 37.86 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 179.206 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.553 ' N ' ' HG3' ' B' ' 34' ' ' GLU . 0.1 OUTLIER -53.56 -48.47 69.11 Favored 'General case' 0 C--N 1.297 -1.682 0 CA-C-O 121.735 0.778 . . . . 0.0 108.906 179.335 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.723 ' HA ' HD23 ' B' ' 40' ' ' LEU . 0.3 OUTLIER -80.45 -54.35 10.83 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 O-C-N 121.567 -0.708 . . . . 0.0 110.507 -179.246 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -70.52 -0.65 8.91 Favored 'General case' 0 C--N 1.294 -1.841 0 O-C-N 120.72 -1.238 . . . . 0.0 111.946 -177.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.579 ' CB ' ' O ' ' B' ' 34' ' ' GLU . 22.7 t-20 -102.94 -33.02 9.46 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.558 -1.339 . . . . 0.0 110.478 -179.666 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.9 ' HB2' HD23 ' A' ' 3' ' ' LEU . 3.7 mm-40 -114.57 -26.15 8.03 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.894 -1.129 . . . . 0.0 110.586 -179.015 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.723 HD23 ' HA ' ' B' ' 36' ' ' ILE . 1.2 mm? -79.42 -52.85 7.53 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 -179.728 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.446 ' C ' ' O ' ' B' ' 40' ' ' LEU . 26.8 t -39.2 97.18 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 CA-C-O 121.284 0.564 . . . . 0.0 109.9 179.627 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' HIS . . . . . 0.458 ' N ' ' O ' ' B' ' 40' ' ' LEU . 49.1 t-80 -179.58 -34.03 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.406 -0.809 . . . . 0.0 109.105 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 43' ' ' PHE . . . . . 0.469 ' O ' ' HB2' ' B' ' 85' ' ' HIS . 0.0 OUTLIER -116.68 25.1 10.81 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.369 -0.832 . . . . 0.0 108.99 179.645 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.448 ' HG ' HD11 ' B' ' 47' ' ' ILE . 8.0 mp -97.7 115.56 28.2 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.406 -0.809 . . . . 0.0 109.539 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -125.89 -75.11 0.59 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.33 -0.856 . . . . 0.0 109.413 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.406 ' O ' ' HB ' ' B' ' 47' ' ' ILE . 7.5 mt-10 -90.69 -45.66 8.73 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.379 -0.826 . . . . 0.0 109.483 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.448 HD11 ' HG ' ' B' ' 44' ' ' LEU . 10.1 mm 66.39 82.28 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.23 -0.919 . . . . 0.0 109.433 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.4 -34.04 72.07 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.238 -0.914 . . . . 0.0 109.57 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.932 ' OE1' HG23 ' B' ' 52' ' ' VAL . 13.6 mm-40 -85.9 61.62 6.96 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.077 -1.014 . . . . 0.0 109.235 179.722 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 50' ' ' GLN . . . . . 0.474 ' O ' ' HB2' ' B' ' 54' ' ' ASP . 6.8 tt0 -55.84 -24.63 37.67 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.182 -0.949 . . . . 0.0 109.434 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.483 ' O ' ' HB2' ' B' ' 55' ' ' LYS . 1.8 mt-10 -76.96 -32.4 57.26 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.236 -0.915 . . . . 0.0 109.708 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.932 HG23 ' OE1' ' B' ' 49' ' ' GLU . 79.0 t -69.47 -50.0 54.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.214 -0.929 . . . . 0.0 109.882 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 72.7 t -75.16 -30.43 23.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.074 -1.017 . . . . 0.0 109.45 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' ASP . . . . . 0.474 ' HB2' ' O ' ' B' ' 50' ' ' GLN . 1.8 m-20 -79.93 -18.17 51.18 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.288 -0.883 . . . . 0.0 108.681 179.318 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.483 ' HB2' ' O ' ' B' ' 51' ' ' GLU . 7.4 tmtt? -78.4 -45.74 21.6 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.348 -0.845 . . . . 0.0 109.139 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.916 HG21 ' CG1' ' B' ' 80' ' ' VAL . 4.3 m -76.28 -38.61 33.73 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.364 0 O-C-N 121.155 -0.966 . . . . 0.0 108.887 179.445 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 47.4 tpp -69.03 -23.7 64.1 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 179.189 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' GLU . . . . . 0.45 ' HB2' ' O ' ' B' ' 54' ' ' ASP . 10.1 mt-10 -74.09 -56.95 4.31 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.44 -0.787 . . . . 0.0 109.092 179.559 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.3 m -60.24 -26.81 66.72 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.132 -0.98 . . . . 0.0 108.399 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.521 HD13 ' HA ' ' B' ' 33' ' ' LYS . 10.5 mt -67.57 -53.59 27.01 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.631 -0.668 . . . . 0.0 109.486 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.94 -5.49 51.31 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.494 -0.754 . . . . 0.0 109.724 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -73.5 -57.69 3.83 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.2 -0.938 . . . . 0.0 109.618 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.47 ' CB ' ' HG3' ' B' ' 29' ' ' LYS . 0.8 OUTLIER -79.31 -64.17 1.25 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.358 -0.839 . . . . 0.0 109.489 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 64' ' ' GLY . . . . . 0.45 ' O ' ' HB2' ' B' ' 29' ' ' LYS . . . 93.31 -51.83 2.44 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.549 -1.421 . . . . 0.0 109.549 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -125.53 31.92 5.44 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.354 -1.086 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.82 162.89 30.46 Favored Glycine 0 N--CA 1.489 2.183 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -89.28 148.27 23.66 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.363 -1.081 . . . . 0.0 109.509 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.481 ' HB3' ' OE2' ' B' ' 72' ' ' GLU . 3.8 m -127.34 153.74 45.82 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.165 -0.959 . . . . 0.0 109.556 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -92.83 -177.97 4.69 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.351 -0.843 . . . . 0.0 109.089 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.603 ' CD2' HG22 ' A' ' 82' ' ' THR . 41.7 p90 -83.71 -28.05 28.55 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.08 -1.013 . . . . 0.0 109.805 -179.59 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.602 ' HG3' ' CE2' ' B' ' 70' ' ' PHE . 3.9 mt-30 -80.09 -22.14 42.55 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.048 -1.033 . . . . 0.0 109.705 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.55 ' HG3' ' N ' ' B' ' 73' ' ' PHE . 0.0 OUTLIER -80.47 -37.87 31.03 Favored 'General case' 0 C--N 1.306 -1.29 0 O-C-N 120.946 -1.096 . . . . 0.0 109.263 -179.755 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.79 ' O ' HG23 ' B' ' 77' ' ' VAL . 0.0 OUTLIER -78.78 -26.55 44.44 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 179.4 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.788 ' SD ' HD22 ' B' ' 10' ' ' LEU . 3.9 mmm -76.82 -45.76 27.39 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.59 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.497 ' O ' ' HG2' ' B' ' 79' ' ' MET . . . -70.62 -22.2 62.55 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 179.321 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.65 ' O ' HG22 ' B' ' 80' ' ' VAL . 1.5 m-85 -78.92 -36.95 41.06 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 179.493 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.995 HG12 ' HE2' ' A' ' 7' ' ' MET . 54.0 t -64.14 -26.13 39.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.633 -0.667 . . . . 0.0 109.418 179.69 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 78' ' ' SER . . . . . 0.402 ' HA ' ' HE3' ' A' ' 7' ' ' MET . 0.1 OUTLIER -79.58 -66.11 0.92 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.198 -0.939 . . . . 0.0 110.399 -179.376 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 79' ' ' MET . . . . . 0.594 ' O ' HG11 ' B' ' 52' ' ' VAL . 0.0 OUTLIER -43.55 -32.22 0.88 Allowed 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.191 -0.943 . . . . 0.0 110.262 -178.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.916 ' CG1' HG21 ' B' ' 56' ' ' VAL . 29.9 m -80.16 -46.17 22.09 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.04 -1.037 . . . . 0.0 110.134 -179.46 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.814 HG21 ' CG ' ' A' ' 7' ' ' MET . 0.6 OUTLIER -77.93 2.35 17.72 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.108 -0.995 . . . . 0.0 109.132 179.554 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.611 HG22 ' CD2' ' A' ' 70' ' ' PHE . 0.2 OUTLIER -135.86 5.86 3.12 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.31 -0.869 . . . . 0.0 109.462 -179.85 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.445 ' O ' ' HG3' ' B' ' 49' ' ' GLU . . . -49.24 -71.6 0.06 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.265 -0.897 . . . . 0.0 109.52 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 174.31 43.38 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.245 -0.909 . . . . 0.0 109.676 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 85' ' ' HIS . . . . . 0.484 ' CD2' ' HB3' ' B' ' 87' ' ' PHE . 0.4 OUTLIER -77.2 -170.74 1.8 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.162 -0.961 . . . . 0.0 109.282 179.832 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 86' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' B' ' 86' ' ' GLU . 30.8 tt0 -95.43 55.22 1.69 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.24 -0.913 . . . . 0.0 109.389 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 87' ' ' PHE . . . . . 0.686 ' CZ ' ' CE2' ' B' ' 88' ' ' PHE . 0.0 OUTLIER -81.63 -172.26 3.77 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.35 -0.844 . . . . 0.0 110.158 -179.894 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.686 ' CE2' ' CZ ' ' B' ' 87' ' ' PHE . 22.8 m-30 55.12 28.05 10.38 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.224 -0.922 . . . . 0.0 109.546 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -111.26 -70.91 0.79 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.353 -0.842 . . . . 0.0 109.248 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -154.85 24.53 0.44 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.506 -0.747 . . . . 0.0 109.294 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 118.027 -0.987 . . . . 0.0 109.539 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 24.0 ttt . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.88 159.46 38.53 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.375 -0.828 . . . . 0.0 109.479 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.572 ' HB3' ' CG2' ' B' ' 13' ' ' VAL . 1.3 tp10 -79.62 -29.79 41.18 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.239 -0.913 . . . . 0.0 109.74 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.837 HD13 HG11 ' B' ' 13' ' ' VAL . 5.3 tp -73.99 -42.01 61.06 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.199 -0.938 . . . . 0.0 109.841 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.628 ' O ' HG23 ' A' ' 8' ' ' VAL . 2.3 tm-20 -73.09 -51.64 17.27 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.294 -0.879 . . . . 0.0 110.046 -179.501 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.661 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -66.43 -31.15 71.73 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.035 -1.041 . . . . 0.0 110.37 -179.416 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.53 ' CB ' ' O ' ' A' ' 2' ' ' GLU . . . -80.31 -63.25 1.45 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.084 -1.01 . . . . 0.0 110.365 -179.318 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.539 ' CG ' HG21 ' B' ' 81' ' ' THR . 14.3 tpp -53.49 -52.66 58.84 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.153 -0.967 . . . . 0.0 109.819 -179.283 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 4' ' ' GLU . 10.8 t -61.8 -28.08 43.52 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.597 0 O-C-N 121.262 -0.899 . . . . 0.0 109.464 -179.499 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.661 ' HB2' ' O ' ' A' ' 5' ' ' LYS . . . -65.96 -39.1 90.12 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.142 -0.974 . . . . 0.0 108.921 179.339 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.739 HD22 ' HE2' ' A' ' 74' ' ' MET . 0.1 OUTLIER -59.53 -28.36 67.02 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.344 -0.847 . . . . 0.0 109.017 179.783 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.527 ' CD1' ' N ' ' A' ' 11' ' ' ILE . 1.3 mp -70.88 -31.8 46.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 179.167 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.462 ' HB3' ' HG2' ' B' ' 2' ' ' GLU . 10.8 t70 -64.35 -57.89 8.04 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.479 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.863 HG11 HD13 ' B' ' 3' ' ' LEU . 0.5 OUTLIER -55.95 -56.83 10.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 179.417 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.649 ' N ' HG12 ' A' ' 13' ' ' VAL . 40.0 t80 -43.1 -34.42 1.06 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.592 -0.692 . . . . 0.0 109.951 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 26.2 t-80 -73.7 -49.07 27.51 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.114 -0.992 . . . . 0.0 109.319 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.79 -34.83 41.62 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.444 -0.785 . . . . 0.0 109.396 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.631 ' CD2' HD21 ' A' ' 35' ' ' LEU . 51.6 m-85 -81.84 -35.08 29.77 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.441 -0.787 . . . . 0.0 109.78 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.493 ' HB3' ' O ' ' A' ' 24' ' ' LYS . 0.5 OUTLIER -93.39 25.52 3.37 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.236 -0.915 . . . . 0.0 109.602 -179.643 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -113.11 4.49 25.43 Favored Glycine 0 N--CA 1.487 2.065 0 N-CA-C 109.67 -1.372 . . . . 0.0 109.67 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.445 ' O ' ' O ' ' A' ' 21' ' ' GLU . 32.6 mtt180 -87.05 91.21 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.197 -1.178 . . . . 0.0 109.759 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.445 ' O ' ' O ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER 41.3 -163.19 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.24 -0.912 . . . . 0.0 109.84 179.799 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.6 -162.39 53.57 Favored Glycine 0 N--CA 1.489 2.202 0 N-CA-C 109.395 -1.482 . . . . 0.0 109.395 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.517 ' O ' ' HB2' ' A' ' 24' ' ' LYS . 2.3 m-20 -57.55 -95.59 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.172 -1.193 . . . . 0.0 109.405 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.517 ' HB2' ' O ' ' A' ' 23' ' ' ASP . 4.3 tppt? 172.43 -24.17 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.365 -0.834 . . . . 0.0 109.687 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -132.79 49.55 2.31 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.064 -1.023 . . . . 0.0 109.446 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.491 ' CD ' ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -143.77 122.88 12.89 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.128 -0.983 . . . . 0.0 109.656 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.7 mt -98.31 -161.37 0.87 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.227 -0.921 . . . . 0.0 109.222 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.463 ' O ' ' CB ' ' A' ' 32' ' ' LEU . 33.4 mtpt -141.96 -174.5 4.1 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.125 -0.984 . . . . 0.0 109.458 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.5 mmtp -89.19 -25.76 21.61 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.164 -0.96 . . . . 0.0 109.308 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 29.3 p -80.4 -46.04 16.67 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.331 -0.856 . . . . 0.0 109.472 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.465 ' O ' ' HB2' ' A' ' 35' ' ' LEU . 14.1 tt0 -74.81 -22.94 58.44 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 179.554 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.662 HD13 ' HD1' ' A' ' 73' ' ' PHE . 16.6 tp -77.62 -44.21 29.03 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 178.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.704 ' HG3' HD13 ' A' ' 60' ' ' LEU . 38.9 tttm -57.08 -41.67 79.24 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 179.159 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.545 ' HG3' ' N ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -74.77 -32.9 62.18 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 179.484 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.848 ' CD1' HD22 ' B' ' 3' ' ' LEU . 0.1 OUTLIER -56.24 -42.89 78.07 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-O 121.245 0.545 . . . . 0.0 109.738 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.957 ' CG2' HG21 ' A' ' 80' ' ' VAL . 0.3 OUTLIER -81.16 -48.98 18.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.357 -0.839 . . . . 0.0 110.46 -179.37 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.485 ' HA ' ' HB2' ' A' ' 41' ' ' SER . 50.5 t-20 -77.33 0.5 22.06 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.959 -1.088 . . . . 0.0 111.384 -178.329 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.528 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 10.1 t30 -113.35 -72.74 0.69 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.746 -1.222 . . . . 0.0 110.194 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.525 ' HB3' ' HB3' ' B' ' 3' ' ' LEU . 87.7 mt-10 -85.14 12.5 7.73 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.112 -0.993 . . . . 0.0 109.848 -179.444 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.662 HD23 HD23 ' B' ' 3' ' ' LEU . 0.2 OUTLIER -128.73 -32.31 2.13 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.315 -0.866 . . . . 0.0 109.318 179.845 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.485 ' HB2' ' HA ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -71.74 81.54 0.87 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.357 -0.839 . . . . 0.0 109.67 179.703 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -124.88 -12.55 7.04 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.157 -0.964 . . . . 0.0 109.284 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.813 ' HZ ' HG23 ' A' ' 81' ' ' THR . 5.0 p90 -138.53 27.81 2.49 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.242 -0.911 . . . . 0.0 109.06 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.796 HD21 HD11 ' A' ' 47' ' ' ILE . 1.5 tt -99.24 145.01 27.7 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.355 -0.84 . . . . 0.0 109.536 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -170.72 -33.71 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.275 -0.891 . . . . 0.0 109.783 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.463 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 0.2 OUTLIER -125.71 -37.49 2.31 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.134 -0.979 . . . . 0.0 108.711 179.825 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.796 HD11 HD21 ' A' ' 44' ' ' LEU . 66.9 mt 64.0 112.27 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.155 -0.965 . . . . 0.0 109.415 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.487 ' HB3' ' O ' ' A' ' 84' ' ' CYS . 22.6 tptm -89.71 -44.86 9.73 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.197 -0.939 . . . . 0.0 109.477 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.558 ' OE1' HG23 ' A' ' 52' ' ' VAL . 12.3 mm-40 -79.46 77.66 6.01 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.065 -1.022 . . . . 0.0 109.311 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.544 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 6.4 tt0 -60.72 -22.63 64.18 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.259 -0.9 . . . . 0.0 109.544 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.469 ' O ' ' HE2' ' A' ' 55' ' ' LYS . 3.9 mt-10 -80.15 -36.18 35.51 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.26 -0.9 . . . . 0.0 109.955 -179.607 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.558 HG23 ' OE1' ' A' ' 49' ' ' GLU . 90.9 t -72.76 -43.9 60.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.189 -0.944 . . . . 0.0 109.83 -179.582 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.653 HG23 ' HB1' ' A' ' 83' ' ' ALA . 45.7 t -77.27 -26.32 15.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.138 -0.976 . . . . 0.0 109.13 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.544 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 15.2 t70 -77.73 -27.64 50.61 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.319 -0.863 . . . . 0.0 109.516 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.546 ' HG3' ' N ' ' A' ' 56' ' ' VAL . 1.6 ptpt -80.44 -44.8 18.67 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.071 -1.018 . . . . 0.0 109.768 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.6 HG21 ' CG1' ' A' ' 80' ' ' VAL . 35.5 m -73.79 -46.25 47.6 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.306 0 O-C-N 120.969 -1.082 . . . . 0.0 108.59 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.576 ' N ' HG23 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -62.97 -25.11 68.22 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 179.128 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.478 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 17.3 mt-10 -75.06 -56.66 4.52 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.303 -0.873 . . . . 0.0 108.867 179.509 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -56.42 -26.26 52.89 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 179.127 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.704 HD13 ' HG3' ' A' ' 33' ' ' LYS . 11.0 mt -68.71 -57.12 6.12 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.7 1.57 29.59 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.441 -0.787 . . . . 0.0 109.781 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -80.36 -51.68 8.58 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.172 -0.955 . . . . 0.0 109.792 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.76 -60.38 1.83 Allowed 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.321 -0.862 . . . . 0.0 109.603 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.07 -53.04 4.61 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.454 -1.459 . . . . 0.0 109.454 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -108.42 32.8 4.55 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.203 -1.175 . . . . 0.0 109.425 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.95 -179.57 44.42 Favored Glycine 0 N--CA 1.488 2.158 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.43 ' HA ' ' HA ' ' A' ' 28' ' ' LYS . 0.8 OUTLIER -122.62 129.47 51.91 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.186 -1.185 . . . . 0.0 109.594 -179.88 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.616 ' SG ' HD22 ' A' ' 32' ' ' LEU . 1.3 m -97.04 153.15 18.1 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.283 -0.886 . . . . 0.0 109.242 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -89.83 -161.82 0.82 Allowed 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.288 -0.883 . . . . 0.0 109.249 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -91.72 -44.97 8.69 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.074 -1.016 . . . . 0.0 109.116 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.865 ' HB3' HG21 ' B' ' 82' ' ' THR . 0.0 OUTLIER -75.53 -20.67 58.55 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.246 -0.909 . . . . 0.0 109.012 179.567 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.497 ' N ' ' HG3' ' A' ' 71' ' ' GLN . 0.7 OUTLIER -76.78 -55.89 5.09 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.431 -0.793 . . . . 0.0 109.162 179.729 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.662 ' HD1' HD13 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -60.78 -22.3 63.96 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.256 -0.902 . . . . 0.0 108.97 179.618 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.739 ' HE2' HD22 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -79.06 -51.55 9.42 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.334 -0.854 . . . . 0.0 109.734 -179.789 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.485 ' O ' ' HG3' ' A' ' 79' ' ' MET . . . -69.07 -14.54 63.08 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.355 -0.841 . . . . 0.0 109.184 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.453 ' O ' HG22 ' A' ' 80' ' ' VAL . 0.1 OUTLIER -79.9 -33.91 39.5 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.364 -0.835 . . . . 0.0 109.368 179.817 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.625 HG13 ' HG ' ' A' ' 40' ' ' LEU . 59.4 t -74.7 -26.85 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.38 -0.825 . . . . 0.0 109.552 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 52.9 m -77.66 -37.78 49.11 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.216 -0.928 . . . . 0.0 110.642 -179.398 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.485 ' HG3' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -66.86 -33.73 76.25 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.982 -1.074 . . . . 0.0 110.503 -179.047 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.957 HG21 ' CG2' ' A' ' 36' ' ' ILE . 6.7 m -80.32 -39.26 18.81 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 120.974 -1.078 . . . . 0.0 109.895 -179.494 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.813 HG23 ' HZ ' ' A' ' 43' ' ' PHE . 3.1 m -62.03 -15.47 44.68 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.007 -1.058 . . . . 0.0 108.65 179.195 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.904 HG21 ' HB3' ' B' ' 71' ' ' GLN . 87.3 m -103.91 -15.65 15.59 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.568 -0.707 . . . . 0.0 109.386 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.653 ' HB1' HG23 ' A' ' 53' ' ' VAL . . . -91.22 57.13 3.32 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.391 -0.818 . . . . 0.0 109.822 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.487 ' O ' ' HB3' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -119.12 -167.03 1.32 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.255 -0.903 . . . . 0.0 109.216 179.623 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.468 ' NE2' ' N ' ' A' ' 89' ' ' GLU . 1.7 p-80 -53.43 -172.37 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.215 -0.928 . . . . 0.0 109.372 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 85' ' ' HIS . 0.4 OUTLIER -44.79 100.27 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.192 -0.943 . . . . 0.0 109.392 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.429 ' N ' ' O ' ' A' ' 85' ' ' HIS . 1.8 t80 58.33 -147.88 0.49 Allowed 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.281 -0.887 . . . . 0.0 109.501 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.544 ' HD2' HG23 ' B' ' 11' ' ' ILE . 0.4 OUTLIER -110.11 56.49 0.63 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.192 -0.942 . . . . 0.0 109.236 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.468 ' N ' ' NE2' ' A' ' 85' ' ' HIS . 6.0 tt0 -65.76 94.42 0.21 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.153 -0.967 . . . . 0.0 109.459 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -104.2 -26.91 12.34 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.43 -0.793 . . . . 0.0 109.278 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 118.018 -0.991 . . . . 0.0 109.482 -179.979 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 24.0 ttt . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 121.332 0.586 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.83 159.48 38.42 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.301 -0.874 . . . . 0.0 109.463 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.556 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 1.3 tp10 -79.65 -29.82 41.05 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.257 -0.902 . . . . 0.0 109.743 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.863 HD13 HG11 ' A' ' 13' ' ' VAL . 5.3 tp -74.05 -41.73 61.32 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.283 -0.885 . . . . 0.0 109.755 -179.653 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.632 ' O ' HG23 ' B' ' 8' ' ' VAL . 2.3 tm-20 -73.32 -51.53 17.17 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.245 -0.91 . . . . 0.0 110.01 -179.369 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.654 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 0.0 OUTLIER -66.62 -31.11 71.59 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.073 -1.017 . . . . 0.0 110.224 -179.315 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.539 ' CB ' ' HB3' ' A' ' 9' ' ' ALA . . . -80.33 -63.29 1.44 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.188 -0.945 . . . . 0.0 110.348 -179.237 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' MET . . . . . 0.51 ' CG ' HG21 ' A' ' 81' ' ' THR . 14.4 tpp -53.46 -52.72 58.59 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.252 -0.905 . . . . 0.0 109.829 -179.291 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.632 HG23 ' O ' ' B' ' 4' ' ' GLU . 10.7 t -61.64 -28.21 43.66 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.534 0 O-C-N 121.238 -0.914 . . . . 0.0 109.489 -179.629 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.654 ' HB2' ' O ' ' B' ' 5' ' ' LYS . . . -65.93 -39.16 90.26 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.212 -0.93 . . . . 0.0 108.991 179.368 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.694 HD22 ' HE2' ' B' ' 74' ' ' MET . 0.1 OUTLIER -59.38 -28.43 66.88 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.349 -0.844 . . . . 0.0 108.923 179.811 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.544 HG23 ' HD2' ' A' ' 88' ' ' PHE . 1.2 mp -70.81 -31.93 47.31 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 179.177 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.428 ' HB3' ' HG2' ' A' ' 2' ' ' GLU . 10.8 t70 -64.38 -57.77 8.38 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.458 -0.776 . . . . 0.0 108.977 179.46 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.837 HG11 HD13 ' A' ' 3' ' ' LEU . 0.5 OUTLIER -56.0 -56.9 10.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 179.397 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.646 ' N ' HG12 ' B' ' 13' ' ' VAL . 40.0 t80 -43.12 -34.36 1.06 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.592 -0.693 . . . . 0.0 109.867 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 26.1 t-80 -73.79 -49.02 27.3 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.191 -0.943 . . . . 0.0 109.398 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.77 -34.88 41.61 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.452 -0.78 . . . . 0.0 109.518 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.627 ' CE2' HD21 ' B' ' 35' ' ' LEU . 51.5 m-85 -81.81 -35.16 29.79 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.456 -0.777 . . . . 0.0 109.7 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.492 ' HB3' ' O ' ' B' ' 24' ' ' LYS . 0.5 OUTLIER -93.29 25.45 3.35 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.331 -0.856 . . . . 0.0 109.662 -179.67 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -113.12 4.57 25.42 Favored Glycine 0 N--CA 1.489 2.179 0 N-CA-C 109.715 -1.354 . . . . 0.0 109.715 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.453 ' O ' ' O ' ' B' ' 21' ' ' GLU . 32.4 mtt180 -87.03 91.22 8.63 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.174 -1.191 . . . . 0.0 109.722 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.453 ' O ' ' O ' ' B' ' 20' ' ' ARG . 0.2 OUTLIER 41.23 -163.32 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.447 -0.783 . . . . 0.0 109.802 179.767 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.7 -162.52 53.69 Favored Glycine 0 N--CA 1.49 2.233 0 N-CA-C 109.346 -1.502 . . . . 0.0 109.346 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.528 ' O ' ' HB2' ' B' ' 24' ' ' LYS . 2.3 m-20 -57.46 -95.66 0.0 OUTLIER 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.24 -1.153 . . . . 0.0 109.402 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.528 ' HB2' ' O ' ' B' ' 23' ' ' ASP . 4.3 tppt? 172.38 -24.02 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.465 -0.772 . . . . 0.0 109.638 179.733 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -132.93 49.42 2.32 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.012 -1.055 . . . . 0.0 109.493 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.484 ' CD ' ' O ' ' B' ' 26' ' ' LYS . 0.0 OUTLIER -143.77 122.92 12.91 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.226 -0.921 . . . . 0.0 109.727 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.8 mt -98.34 -161.54 0.88 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.359 -0.838 . . . . 0.0 109.28 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.466 ' O ' ' CB ' ' B' ' 32' ' ' LEU . 33.6 mtpt -141.81 -174.4 4.06 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.166 -0.959 . . . . 0.0 109.587 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 2.5 mmtp -89.29 -25.72 21.53 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.035 -1.041 . . . . 0.0 109.248 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 29.1 p -80.58 -46.0 16.44 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.284 -0.885 . . . . 0.0 109.45 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.465 ' O ' ' HB2' ' B' ' 35' ' ' LEU . 14.0 tt0 -74.89 -22.95 58.34 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.53 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.662 HD13 ' HD1' ' B' ' 73' ' ' PHE . 16.8 tp -77.55 -44.23 29.25 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 178.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.701 ' HG3' HD13 ' B' ' 60' ' ' LEU . 38.8 tttm -57.19 -41.67 79.8 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 179.173 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.548 ' HG3' ' N ' ' B' ' 35' ' ' LEU . 0.0 OUTLIER -74.76 -32.92 62.2 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.596 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.835 ' CD1' HD22 ' A' ' 3' ' ' LEU . 0.1 OUTLIER -56.4 -42.86 78.66 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.818 -0.552 . . . . 0.0 109.623 -179.907 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.96 ' CG2' HG21 ' B' ' 80' ' ' VAL . 0.3 OUTLIER -81.07 -48.99 18.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.387 -0.821 . . . . 0.0 110.542 -179.425 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.474 ' HA ' ' HB2' ' B' ' 41' ' ' SER . 50.3 t-20 -77.38 0.42 22.49 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.038 -1.039 . . . . 0.0 111.266 -178.317 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.537 ' CB ' ' O ' ' B' ' 34' ' ' GLU . 10.0 t30 -113.26 -72.93 0.68 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.636 -1.29 . . . . 0.0 110.235 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.49 ' HB3' ' HB3' ' A' ' 3' ' ' LEU . 87.7 mt-10 -85.04 12.54 7.48 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.162 -0.962 . . . . 0.0 109.856 -179.443 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.697 HD23 ' CD2' ' A' ' 3' ' ' LEU . 0.2 OUTLIER -128.85 -32.32 2.11 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.231 -0.918 . . . . 0.0 109.227 179.868 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.474 ' HB2' ' HA ' ' B' ' 37' ' ' ASN . 0.2 OUTLIER -71.85 81.6 0.9 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.346 -0.846 . . . . 0.0 109.61 179.784 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 7.6 t-80 -124.83 -12.48 7.07 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.172 -0.955 . . . . 0.0 109.226 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' PHE . . . . . 0.813 ' HZ ' HG23 ' B' ' 81' ' ' THR . 5.0 p90 -138.55 27.8 2.49 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.228 -0.92 . . . . 0.0 109.066 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.8 HD21 HD11 ' B' ' 47' ' ' ILE . 1.5 tt -99.23 145.16 27.54 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.325 -0.86 . . . . 0.0 109.614 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -170.81 -33.87 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.329 -0.857 . . . . 0.0 109.819 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.46 ' O ' ' HB ' ' B' ' 47' ' ' ILE . 0.3 OUTLIER -125.73 -37.49 2.31 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.133 -0.979 . . . . 0.0 108.707 179.896 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.8 HD11 HD21 ' B' ' 44' ' ' LEU . 67.2 mt 63.9 112.43 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.263 -0.898 . . . . 0.0 109.388 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.493 ' HB3' ' O ' ' B' ' 84' ' ' CYS . 22.5 tptm -89.78 -44.86 9.69 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.155 -0.965 . . . . 0.0 109.459 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.563 ' OE1' HG23 ' B' ' 52' ' ' VAL . 12.3 mm-40 -79.44 77.67 5.99 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.199 -0.938 . . . . 0.0 109.324 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 50' ' ' GLN . . . . . 0.538 ' O ' ' CB ' ' B' ' 54' ' ' ASP . 6.4 tt0 -60.79 -22.56 64.24 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.307 -0.87 . . . . 0.0 109.577 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.477 ' O ' ' HE2' ' B' ' 55' ' ' LYS . 3.9 mt-10 -80.13 -36.19 35.63 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.292 -0.88 . . . . 0.0 109.938 -179.636 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.563 HG23 ' OE1' ' B' ' 49' ' ' GLU . 91.7 t -72.75 -43.91 60.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.053 -1.03 . . . . 0.0 109.847 -179.57 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.644 HG23 ' HB1' ' B' ' 83' ' ' ALA . 45.4 t -77.47 -26.08 15.18 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.51 0 O-C-N 121.083 -1.011 . . . . 0.0 109.179 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 54' ' ' ASP . . . . . 0.538 ' CB ' ' O ' ' B' ' 50' ' ' GLN . 15.1 t70 -77.82 -27.65 50.04 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.41 -0.806 . . . . 0.0 109.409 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.539 ' HG3' ' N ' ' B' ' 56' ' ' VAL . 1.6 ptpt -80.38 -44.85 18.71 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.117 -0.989 . . . . 0.0 109.879 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.601 HG21 ' CG1' ' B' ' 80' ' ' VAL . 35.5 m -73.79 -46.19 47.77 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 O-C-N 120.79 -1.194 . . . . 0.0 108.651 179.63 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.584 ' N ' HG23 ' B' ' 56' ' ' VAL . 0.0 OUTLIER -62.99 -25.18 68.26 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.091 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 58' ' ' GLU . . . . . 0.471 ' CG ' ' O ' ' B' ' 54' ' ' ASP . 17.2 mt-10 -74.95 -56.58 4.61 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.298 -0.876 . . . . 0.0 108.847 179.536 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -56.62 -26.18 55.13 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 179.152 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.701 HD13 ' HG3' ' B' ' 33' ' ' LYS . 10.9 mt -68.72 -57.07 6.18 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.574 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.84 1.71 29.51 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.512 -0.742 . . . . 0.0 109.734 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -80.38 -51.65 8.6 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.208 -0.933 . . . . 0.0 109.717 -179.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.88 -60.34 1.83 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.338 -0.851 . . . . 0.0 109.663 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.17 -53.23 4.61 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -108.26 32.68 4.61 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.126 -1.22 . . . . 0.0 109.404 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.82 -179.58 44.6 Favored Glycine 0 N--CA 1.489 2.173 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.432 ' HA ' ' HA ' ' B' ' 28' ' ' LYS . 0.8 OUTLIER -122.58 129.61 52.11 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.231 -1.158 . . . . 0.0 109.589 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.618 ' SG ' HD22 ' B' ' 32' ' ' LEU . 1.3 m -97.15 153.21 18.12 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.348 -0.845 . . . . 0.0 109.246 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -89.86 -161.81 0.82 Allowed 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.277 -0.889 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -91.73 -45.01 8.66 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.234 -0.916 . . . . 0.0 109.013 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.904 ' HB3' HG21 ' A' ' 82' ' ' THR . 0.0 OUTLIER -75.54 -20.57 58.58 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.194 -0.941 . . . . 0.0 109.061 179.647 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.488 ' N ' ' HG3' ' B' ' 71' ' ' GLN . 0.7 OUTLIER -76.83 -55.82 5.14 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.48 -0.763 . . . . 0.0 109.23 179.658 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.662 ' HD1' HD13 ' B' ' 32' ' ' LEU . 0.1 OUTLIER -60.86 -22.31 64.12 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.319 -0.863 . . . . 0.0 108.891 179.602 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.694 ' HE2' HD22 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -79.1 -51.6 9.33 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.246 -0.909 . . . . 0.0 109.676 -179.772 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.471 ' O ' ' HG3' ' B' ' 79' ' ' MET . . . -68.98 -14.64 63.16 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.294 -0.879 . . . . 0.0 109.177 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.458 ' O ' HG22 ' B' ' 80' ' ' VAL . 0.1 OUTLIER -79.77 -34.02 40.13 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.433 -0.792 . . . . 0.0 109.408 179.866 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.623 HG13 ' HG ' ' B' ' 40' ' ' LEU . 59.0 t -74.61 -26.94 20.35 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.475 0 O-C-N 121.394 -0.816 . . . . 0.0 109.475 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 78' ' ' SER . . . . . 0.441 ' HA ' ' CE ' ' A' ' 7' ' ' MET . 53.0 m -77.62 -37.99 48.97 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.289 -0.882 . . . . 0.0 110.623 -179.315 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 79' ' ' MET . . . . . 0.471 ' HG3' ' O ' ' B' ' 75' ' ' ALA . 0.0 OUTLIER -66.7 -33.76 76.36 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.96 -1.087 . . . . 0.0 110.559 -179.097 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.96 HG21 ' CG2' ' B' ' 36' ' ' ILE . 6.6 m -80.2 -39.45 19.22 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 O-C-N 121.052 -1.03 . . . . 0.0 109.855 -179.453 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.813 HG23 ' HZ ' ' B' ' 43' ' ' PHE . 3.2 m -62.03 -15.45 44.5 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.107 -0.996 . . . . 0.0 108.526 179.336 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.865 HG21 ' HB3' ' A' ' 71' ' ' GLN . 87.0 m -103.93 -15.61 15.59 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.548 -0.72 . . . . 0.0 109.393 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.644 ' HB1' HG23 ' B' ' 53' ' ' VAL . . . -91.37 57.23 3.29 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.346 -0.846 . . . . 0.0 109.819 -179.713 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 84' ' ' CYS . . . . . 0.493 ' O ' ' HB3' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -119.21 -167.15 1.35 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.207 -0.933 . . . . 0.0 109.149 179.599 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 85' ' ' HIS . . . . . 0.458 ' O ' ' O ' ' B' ' 84' ' ' CYS . 1.7 p-80 -53.32 -172.45 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.188 -0.945 . . . . 0.0 109.447 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 86' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' B' ' 85' ' ' HIS . 0.4 OUTLIER -44.66 100.3 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.201 -0.937 . . . . 0.0 109.346 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 87' ' ' PHE . . . . . 0.422 ' N ' ' O ' ' B' ' 85' ' ' HIS . 1.8 t80 58.27 -147.77 0.5 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.116 -0.99 . . . . 0.0 109.449 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.519 ' HD2' HG23 ' A' ' 11' ' ' ILE . 0.4 OUTLIER -110.13 56.55 0.62 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.231 -0.918 . . . . 0.0 109.245 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.455 ' N ' ' NE2' ' B' ' 85' ' ' HIS . 6.1 tt0 -65.81 94.4 0.21 Allowed 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.259 -0.901 . . . . 0.0 109.498 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -104.21 -26.83 12.37 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.392 -0.818 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 . . . . . 0 N--CA 1.489 1.495 0 CA-C-O 117.993 -1.003 . . . . 0.0 109.467 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.483 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.415 ' O ' ' HB2' ' A' ' 5' ' ' LYS . 89.0 p -118.04 -161.0 0.81 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.293 -0.879 . . . . 0.0 109.425 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.706 ' HB3' HG22 ' B' ' 13' ' ' VAL . 1.0 OUTLIER -77.86 -67.19 0.75 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.297 -0.877 . . . . 0.0 109.721 -179.871 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.531 ' HB3' ' CB ' ' B' ' 39' ' ' GLU . 15.8 tp -56.86 -56.85 16.29 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.4 -0.812 . . . . 0.0 109.875 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.539 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 5.3 tm-20 -43.74 -33.5 1.28 Allowed 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.405 -0.809 . . . . 0.0 110.071 -179.129 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.528 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -80.78 -40.0 25.83 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.953 -1.092 . . . . 0.0 110.13 -179.671 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.538 ' CB ' ' HB3' ' B' ' 9' ' ' ALA . . . -79.79 -65.6 0.98 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.306 -0.871 . . . . 0.0 109.993 -179.323 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.831 ' SD ' HG12 ' B' ' 77' ' ' VAL . 8.1 tpt -45.6 -52.07 11.13 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.391 -0.818 . . . . 0.0 109.801 -179.68 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.539 ' CG2' ' O ' ' A' ' 4' ' ' GLU . 25.7 t -63.99 -39.17 84.47 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 O-C-N 121.384 -0.822 . . . . 0.0 109.928 -179.404 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.58 ' HB3' ' CB ' ' B' ' 6' ' ' ALA . . . -55.03 -39.76 69.48 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.122 -0.986 . . . . 0.0 109.489 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.656 HD22 ' CE ' ' A' ' 74' ' ' MET . 0.2 OUTLIER -58.28 -48.17 81.3 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.105 -0.997 . . . . 0.0 109.153 179.812 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.96 HG23 ' CE1' ' B' ' 88' ' ' PHE . 1.8 mp -51.6 -31.6 12.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.14 -0.975 . . . . 0.0 108.63 179.398 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -60.93 -58.3 9.03 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.404 -0.81 . . . . 0.0 109.681 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.751 HG22 ' HB3' ' B' ' 2' ' ' GLU . 53.9 t -47.18 -41.3 6.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.447 -0.783 . . . . 0.0 109.932 -179.734 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.581 ' CE2' ' HA ' ' A' ' 70' ' ' PHE . 19.0 t80 -61.04 -54.43 44.88 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.12 -0.988 . . . . 0.0 110.116 -179.216 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -69.45 -4.94 20.72 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.123 -0.986 . . . . 0.0 109.859 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -91.05 -41.78 10.88 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.105 -0.997 . . . . 0.0 109.706 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.503 ' CE1' HD21 ' A' ' 35' ' ' LEU . 23.4 m-85 -78.4 -54.97 5.61 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.287 -0.883 . . . . 0.0 110.039 -179.536 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.866 ' HB2' HD12 ' A' ' 27' ' ' LEU . 3.2 t -86.95 19.79 2.89 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.12 -0.987 . . . . 0.0 109.871 -179.645 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -123.79 29.84 5.04 Favored Glycine 0 N--CA 1.488 2.105 0 N-CA-C 109.208 -1.557 . . . . 0.0 109.208 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.429 ' HG3' ' N ' ' A' ' 21' ' ' GLU . 1.3 ptt85 -157.29 -31.9 0.08 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.284 -1.127 . . . . 0.0 110.254 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.429 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 2.0 pt-20 -101.64 -99.38 0.27 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.978 -1.077 . . . . 0.0 110.058 -179.634 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.445 ' O ' ' O ' ' A' ' 23' ' ' ASP . . . -68.55 -176.04 11.1 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.924 -1.271 . . . . 0.0 109.924 -179.611 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.445 ' O ' ' O ' ' A' ' 22' ' ' GLY . 0.8 OUTLIER -51.61 -177.19 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.302 -1.116 . . . . 0.0 109.385 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.497 ' O ' ' HB3' ' A' ' 25' ' ' HIS . 10.3 mttm -111.82 -177.4 3.17 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.251 -0.906 . . . . 0.0 109.358 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.6 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 3.2 t-80 64.08 6.33 2.83 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.45 -0.781 . . . . 0.0 110.293 179.463 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -150.33 146.57 26.82 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.619 -1.301 . . . . 0.0 109.983 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.866 HD12 ' HB2' ' A' ' 18' ' ' SER . 1.3 tp -128.38 -154.16 0.62 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.329 -0.857 . . . . 0.0 108.964 179.412 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.489 ' HG2' ' O ' ' A' ' 66' ' ' GLY . 8.5 mtpt -146.43 160.91 41.46 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.268 -0.895 . . . . 0.0 109.541 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.65 ' HB3' HD23 ' A' ' 60' ' ' LEU . 6.2 mtpp -76.7 -18.85 58.28 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.275 -0.89 . . . . 0.0 109.092 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.6 t -80.6 -45.29 17.56 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.397 -0.814 . . . . 0.0 109.014 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.472 ' O ' ' HB2' ' A' ' 35' ' ' LEU . 0.8 OUTLIER -78.46 -20.75 50.25 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.116 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 1.117 HD13 ' CD2' ' A' ' 73' ' ' PHE . 2.7 tp -78.26 -44.14 26.29 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 178.424 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 1.027 ' HB2' HD22 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -61.57 -43.21 99.27 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 178.32 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.432 ' O ' ' HB2' ' A' ' 38' ' ' ASN . 0.3 OUTLIER -68.61 -33.23 73.67 Favored 'General case' 0 C--N 1.296 -1.748 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 179.644 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.637 HD11 HG11 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -58.57 -40.1 82.17 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 179.416 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.758 HG21 HG21 ' A' ' 80' ' ' VAL . 0.5 OUTLIER -81.22 -59.15 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.419 -0.801 . . . . 0.0 110.429 -179.892 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -61.25 -3.78 0.99 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.229 -0.92 . . . . 0.0 111.597 -178.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.432 ' HB2' ' O ' ' A' ' 34' ' ' GLU . 11.5 t-20 -111.57 -56.46 2.38 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.614 -1.304 . . . . 0.0 110.161 -179.543 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.524 ' CB ' ' HB3' ' B' ' 3' ' ' LEU . 0.8 OUTLIER -99.1 23.88 8.52 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.156 -0.965 . . . . 0.0 110.606 -178.898 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.688 HD22 HG22 ' A' ' 36' ' ' ILE . 1.0 OUTLIER -141.74 -50.72 0.41 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.795 -1.191 . . . . 0.0 109.862 179.427 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -46.64 -22.52 0.3 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.251 -0.906 . . . . 0.0 110.125 -179.908 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.453 ' C ' ' O ' ' A' ' 41' ' ' SER . 0.3 OUTLIER -37.16 -32.28 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.487 -0.758 . . . . 0.0 110.301 -179.698 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.574 ' O ' ' CG ' ' A' ' 43' ' ' PHE . 15.6 p90 -135.84 116.94 14.37 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.012 -1.055 . . . . 0.0 109.531 179.659 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.753 HD23 HD11 ' A' ' 47' ' ' ILE . 5.2 tp 173.19 -79.33 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.559 -0.713 . . . . 0.0 109.346 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 44' ' ' LEU . 5.0 mt-10 42.23 26.22 0.05 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.114 -0.991 . . . . 0.0 110.013 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 44' ' ' LEU . 1.7 mt-10 -143.25 -82.54 0.18 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.05 -1.031 . . . . 0.0 109.873 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.753 HD11 HD23 ' A' ' 44' ' ' LEU . 7.3 mt 58.62 105.64 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.18 -0.95 . . . . 0.0 109.265 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.517 ' N ' ' HB2' ' A' ' 85' ' ' HIS . 8.4 tptp -106.62 -20.09 13.46 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.258 -0.901 . . . . 0.0 109.358 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.511 ' HB3' ' HB ' ' A' ' 52' ' ' VAL . 8.0 mm-40 -83.3 69.86 10.04 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.169 -0.957 . . . . 0.0 108.963 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.546 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 49.2 tt0 -49.04 -22.56 0.92 Allowed 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.21 -0.932 . . . . 0.0 109.74 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.2 -42.25 21.08 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.057 -1.027 . . . . 0.0 110.575 -179.396 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.678 ' O ' HG22 ' A' ' 56' ' ' VAL . 54.7 t -70.92 -40.38 76.34 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.058 -1.026 . . . . 0.0 110.122 -179.12 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.747 HG21 HG23 ' A' ' 47' ' ' ILE . 36.5 t -80.72 -28.62 11.52 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 O-C-N 121.089 -1.007 . . . . 0.0 109.727 -179.716 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.546 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 28.8 t70 -81.76 -21.55 37.75 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.036 -1.04 . . . . 0.0 108.791 179.528 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.43 ' HD3' ' C ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -75.42 -44.71 43.1 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.239 -0.913 . . . . 0.0 109.165 179.827 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.91 HG12 ' CZ ' ' A' ' 76' ' ' PHE . 2.2 m -80.31 -35.31 15.4 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 O-C-N 121.013 -1.054 . . . . 0.0 108.638 179.27 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.494 ' HB2' ' O ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -72.39 -24.87 61.32 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.432 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.538 ' CG ' ' O ' ' A' ' 54' ' ' ASP . 1.2 mm-40 -74.2 -51.38 15.65 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 119.456 -0.898 . . . . 0.0 109.01 179.507 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.546 HG22 ' CE ' ' A' ' 29' ' ' LYS . 4.9 m -65.53 -24.17 67.05 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.342 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 1.027 HD22 ' HB2' ' A' ' 33' ' ' LYS . 10.9 mt -70.05 -52.97 19.66 Favored 'General case' 0 C--N 1.304 -1.404 0 CA-C-O 121.478 0.656 . . . . 0.0 109.501 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.34 -11.44 59.9 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.523 -0.736 . . . . 0.0 109.739 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.452 ' O ' ' OD1' ' A' ' 63' ' ' ASP . 38.2 tt0 -72.78 -36.22 67.57 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.234 -0.916 . . . . 0.0 109.821 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.507 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 68.6 m-20 -156.93 55.36 0.53 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.219 -0.925 . . . . 0.0 109.582 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 63' ' ' ASP . . . -40.24 -27.82 0.15 Allowed Glycine 0 N--CA 1.494 2.519 0 N-CA-C 109.973 -1.251 . . . . 0.0 109.973 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 63' ' ' ASP . 11.8 t0 -91.87 40.91 1.05 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.147 -1.208 . . . . 0.0 109.444 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.489 ' O ' ' HG2' ' A' ' 28' ' ' LYS . . . -108.06 171.95 16.63 Favored Glycine 0 N--CA 1.487 2.085 0 N-CA-C 109.606 -1.398 . . . . 0.0 109.606 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -106.57 128.63 54.28 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.13 -1.218 . . . . 0.0 109.712 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 87.1 m -105.65 171.49 7.3 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.276 -0.89 . . . . 0.0 109.575 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' A' ' 69' ' ' ASP . 1.5 m-20 -108.53 -177.33 3.29 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.259 -0.901 . . . . 0.0 109.428 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.602 ' CE1' ' HG3' ' A' ' 71' ' ' GLN . 6.6 p90 -79.56 -35.0 40.46 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.124 -0.985 . . . . 0.0 109.214 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.602 ' HG3' ' CE1' ' A' ' 70' ' ' PHE . 1.1 mt-30 -78.58 -26.48 45.52 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.247 -0.908 . . . . 0.0 109.068 179.444 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.483 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -78.13 -50.91 11.09 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.313 -0.867 . . . . 0.0 108.979 179.786 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 1.117 ' CD2' HD13 ' A' ' 32' ' ' LEU . 5.2 t80 -62.17 -22.15 65.65 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.386 -0.821 . . . . 0.0 108.985 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.732 ' HG3' HG21 ' B' ' 82' ' ' THR . 0.0 OUTLIER -80.25 -55.45 4.9 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.301 -0.874 . . . . 0.0 109.801 -179.794 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.519 ' O ' ' HG3' ' A' ' 79' ' ' MET . . . -66.26 -16.56 64.12 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.34 -0.85 . . . . 0.0 109.087 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.91 ' CZ ' HG12 ' A' ' 56' ' ' VAL . 0.1 OUTLIER -77.17 -39.25 49.69 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.332 -0.855 . . . . 0.0 109.246 179.514 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.843 HG12 ' SD ' ' B' ' 7' ' ' MET . 84.1 t -70.67 -27.61 31.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.389 -0.819 . . . . 0.0 109.847 -179.64 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 77.5 p -77.05 -42.63 37.61 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.122 -0.987 . . . . 0.0 110.515 -179.295 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.551 ' HB3' HG13 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -57.73 -46.05 84.95 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.926 -1.109 . . . . 0.0 110.201 -179.555 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.758 HG21 HG21 ' A' ' 36' ' ' ILE . 25.5 m -70.45 -45.08 76.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 O-C-N 121.183 -0.948 . . . . 0.0 110.623 -179.007 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.696 HG21 ' HG3' ' B' ' 7' ' ' MET . 1.9 m -66.56 -8.61 28.0 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.801 -1.187 . . . . 0.0 109.624 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.751 HG21 ' HG3' ' B' ' 74' ' ' MET . 61.0 p -129.73 13.55 5.88 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.248 -0.907 . . . . 0.0 109.361 179.661 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.525 ' O ' ' CB ' ' A' ' 84' ' ' CYS . . . -44.89 -63.69 0.86 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.265 -0.897 . . . . 0.0 109.235 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.525 ' CB ' ' O ' ' A' ' 83' ' ' ALA . 0.7 OUTLIER 161.76 -170.53 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.403 -0.811 . . . . 0.0 109.728 179.746 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.517 ' HB2' ' N ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER 66.54 -83.8 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.478 -0.764 . . . . 0.0 109.358 -179.563 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.414 ' OE1' ' HB2' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -68.68 86.34 0.32 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.03 -1.043 . . . . 0.0 108.701 179.451 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.647 ' CZ ' ' CE2' ' A' ' 88' ' ' PHE . 9.5 t80 -114.98 101.38 8.97 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.342 -0.849 . . . . 0.0 109.486 -179.455 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.897 ' CE1' HG23 ' B' ' 11' ' ' ILE . 3.7 m-85 41.75 67.1 0.6 Allowed 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.441 -0.787 . . . . 0.0 109.494 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.465 ' O ' ' HB3' ' A' ' 90' ' ' HIS . 1.7 tp10 -100.81 31.29 3.61 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.322 -0.861 . . . . 0.0 109.935 -179.505 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.607 ' CG ' ' O ' ' A' ' 90' ' ' HIS . 20.5 t60 61.78 11.24 3.91 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.272 -0.892 . . . . 0.0 109.712 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 . . . . . 0 N--CA 1.49 1.568 0 O-C-N 120.893 -1.13 . . . . 0.0 109.504 179.693 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 1' ' ' SER . . . . . 0.422 ' O ' ' HB2' ' B' ' 5' ' ' LYS . 89.1 p -117.99 -160.96 0.8 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.226 -0.921 . . . . 0.0 109.505 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.751 ' HB3' HG22 ' A' ' 13' ' ' VAL . 1.0 OUTLIER -77.95 -67.26 0.75 Allowed 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.3 -0.875 . . . . 0.0 109.637 -179.863 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.524 ' HB3' ' CB ' ' A' ' 39' ' ' GLU . 15.8 tp -56.84 -56.84 16.47 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.272 -0.893 . . . . 0.0 109.851 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.532 ' O ' ' CG2' ' B' ' 8' ' ' VAL . 5.3 tm-20 -43.76 -33.54 1.3 Allowed 'General case' 0 C--N 1.297 -1.706 0 O-C-N 121.394 -0.816 . . . . 0.0 110.119 -179.125 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.53 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 0.0 OUTLIER -80.7 -39.99 26.17 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.986 -1.071 . . . . 0.0 110.203 -179.727 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.58 ' CB ' ' HB3' ' A' ' 9' ' ' ALA . . . -79.78 -65.66 0.97 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.158 -0.964 . . . . 0.0 110.02 -179.396 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' MET . . . . . 0.843 ' SD ' HG12 ' A' ' 77' ' ' VAL . 8.1 tpt -45.56 -52.09 10.98 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.403 -0.811 . . . . 0.0 109.826 -179.691 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.532 ' CG2' ' O ' ' B' ' 4' ' ' GLU . 25.8 t -64.01 -39.13 84.33 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.548 0 O-C-N 121.349 -0.844 . . . . 0.0 109.915 -179.442 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.538 ' HB3' ' CB ' ' A' ' 6' ' ' ALA . . . -55.1 -39.75 69.68 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.154 -0.966 . . . . 0.0 109.43 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.651 HD22 ' CE ' ' B' ' 74' ' ' MET . 0.2 OUTLIER -58.22 -48.25 80.96 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.143 -0.973 . . . . 0.0 109.108 179.809 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.897 HG23 ' CE1' ' A' ' 88' ' ' PHE . 1.8 mp -51.57 -31.75 12.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.215 -0.928 . . . . 0.0 108.544 179.419 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -60.84 -58.34 8.87 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.529 -0.732 . . . . 0.0 109.739 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.706 HG22 ' HB3' ' A' ' 2' ' ' GLU . 53.6 t -47.1 -41.33 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.383 -0.823 . . . . 0.0 109.955 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.584 ' CE2' ' HA ' ' B' ' 70' ' ' PHE . 18.7 t80 -60.94 -54.49 44.33 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.157 -0.965 . . . . 0.0 110.147 -179.246 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -69.5 -4.84 20.53 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.182 -0.949 . . . . 0.0 109.959 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -91.08 -41.69 10.91 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.11 -0.993 . . . . 0.0 109.67 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.502 ' CE1' HD21 ' B' ' 35' ' ' LEU . 23.6 m-85 -78.48 -54.97 5.59 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.288 -0.882 . . . . 0.0 110.027 -179.504 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.873 ' HB2' HD12 ' B' ' 27' ' ' LEU . 3.2 t -87.04 19.91 2.89 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.143 -0.973 . . . . 0.0 109.826 -179.631 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -123.78 29.74 5.07 Favored Glycine 0 N--CA 1.486 2.011 0 N-CA-C 109.281 -1.528 . . . . 0.0 109.281 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.437 ' HG3' ' N ' ' B' ' 21' ' ' GLU . 1.3 ptt85 -157.23 -31.93 0.08 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.285 -1.126 . . . . 0.0 110.3 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.437 ' N ' ' HG3' ' B' ' 20' ' ' ARG . 2.0 pt-20 -101.67 -99.41 0.27 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.044 -1.035 . . . . 0.0 110.081 -179.619 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 22' ' ' GLY . . . . . 0.439 ' O ' ' O ' ' B' ' 23' ' ' ASP . . . -68.57 -175.93 10.97 Favored Glycine 0 N--CA 1.494 2.527 0 N-CA-C 109.863 -1.295 . . . . 0.0 109.863 -179.615 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.439 ' O ' ' O ' ' B' ' 22' ' ' GLY . 0.8 OUTLIER -51.72 -177.21 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.446 -1.032 . . . . 0.0 109.331 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.499 ' O ' ' HB3' ' B' ' 25' ' ' HIS . 10.4 mttm -111.81 -177.32 3.15 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.176 -0.952 . . . . 0.0 109.324 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 25' ' ' HIS . . . . . 0.602 ' CG ' ' O ' ' B' ' 25' ' ' HIS . 3.2 t-80 63.94 6.5 2.82 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.418 -0.801 . . . . 0.0 110.283 179.452 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -150.47 146.5 26.67 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.648 -1.283 . . . . 0.0 109.957 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.873 HD12 ' HB2' ' B' ' 18' ' ' SER . 1.4 tp -128.29 -154.1 0.61 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.418 -0.801 . . . . 0.0 109.022 179.43 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.489 ' HG2' ' O ' ' B' ' 66' ' ' GLY . 8.6 mtpt -146.5 160.93 41.48 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.239 -0.913 . . . . 0.0 109.574 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.643 ' HB3' HD23 ' B' ' 60' ' ' LEU . 6.2 mtpp -76.76 -18.83 58.22 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.322 -0.861 . . . . 0.0 109.06 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.6 t -80.59 -45.39 17.42 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.365 -0.834 . . . . 0.0 108.986 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.465 ' O ' ' HB2' ' B' ' 35' ' ' LEU . 0.8 OUTLIER -78.42 -20.71 50.51 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 179.103 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 1.119 HD13 ' CD2' ' B' ' 73' ' ' PHE . 2.6 tp -78.33 -44.06 26.18 Favored 'General case' 0 N--CA 1.487 1.384 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 178.428 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 1.0 ' HB2' HD22 ' B' ' 60' ' ' LEU . 0.1 OUTLIER -61.67 -43.08 99.54 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 178.314 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.435 ' O ' ' HB2' ' B' ' 38' ' ' ASN . 0.3 OUTLIER -68.66 -33.31 73.77 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 179.585 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.642 HD11 HG11 ' B' ' 13' ' ' VAL . 0.1 OUTLIER -58.37 -40.19 81.62 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 179.304 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.769 HG21 HG21 ' B' ' 80' ' ' VAL . 0.5 OUTLIER -81.26 -59.24 3.0 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.445 -0.784 . . . . 0.0 110.351 -179.848 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -61.12 -3.81 0.94 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.183 -0.948 . . . . 0.0 111.695 -178.477 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.435 ' HB2' ' O ' ' B' ' 34' ' ' GLU . 11.5 t-20 -111.56 -56.5 2.37 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.666 -1.271 . . . . 0.0 110.182 -179.588 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.531 ' CB ' ' HB3' ' A' ' 3' ' ' LEU . 0.8 OUTLIER -99.02 23.83 8.52 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.093 -1.004 . . . . 0.0 110.659 -178.917 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.69 HD22 HG22 ' B' ' 36' ' ' ILE . 1.1 tt -141.72 -50.7 0.41 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.882 -1.136 . . . . 0.0 109.904 179.418 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.461 ' O ' ' C ' ' B' ' 42' ' ' HIS . 0.1 OUTLIER -46.53 -22.62 0.29 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.333 -0.854 . . . . 0.0 110.161 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 42' ' ' HIS . . . . . 0.461 ' C ' ' O ' ' B' ' 41' ' ' SER . 0.3 OUTLIER -37.12 -32.26 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.508 -0.745 . . . . 0.0 110.366 -179.672 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 43' ' ' PHE . . . . . 0.574 ' O ' ' CG ' ' B' ' 43' ' ' PHE . 15.5 p90 -135.8 116.92 14.4 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.036 -1.04 . . . . 0.0 109.535 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.756 HD23 HD11 ' B' ' 47' ' ' ILE . 5.1 tp 173.18 -79.29 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.451 -0.78 . . . . 0.0 109.477 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' B' ' 44' ' ' LEU . 5.0 mt-10 42.13 26.32 0.05 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.07 -1.019 . . . . 0.0 110.03 179.732 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.44 ' HB3' ' CG ' ' B' ' 85' ' ' HIS . 1.7 mt-10 -143.3 -82.59 0.17 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.9 -1.125 . . . . 0.0 109.841 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.756 HD11 HD23 ' B' ' 44' ' ' LEU . 7.3 mt 58.63 105.67 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.165 -0.959 . . . . 0.0 109.226 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.511 ' N ' ' HB2' ' B' ' 85' ' ' HIS . 8.4 tptp -106.67 -20.14 13.45 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.215 -0.928 . . . . 0.0 109.412 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.512 ' HB3' ' HB ' ' B' ' 52' ' ' VAL . 8.0 mm-40 -83.14 69.77 9.95 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.193 -0.942 . . . . 0.0 108.989 179.563 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 50' ' ' GLN . . . . . 0.555 ' O ' ' CB ' ' B' ' 54' ' ' ASP . 49.2 tt0 -49.09 -22.54 0.95 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.314 -0.866 . . . . 0.0 109.718 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.17 -42.2 21.22 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.118 -0.989 . . . . 0.0 110.605 -179.426 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.693 ' O ' HG22 ' B' ' 56' ' ' VAL . 54.7 t -70.96 -40.35 76.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 120.981 -1.074 . . . . 0.0 110.159 -179.134 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.732 HG21 HG23 ' B' ' 47' ' ' ILE . 36.6 t -80.61 -28.67 11.66 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.509 0 O-C-N 121.096 -1.003 . . . . 0.0 109.755 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 54' ' ' ASP . . . . . 0.555 ' CB ' ' O ' ' B' ' 50' ' ' GLN . 28.8 t70 -81.78 -21.57 37.67 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 120.984 -1.073 . . . . 0.0 108.745 179.559 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.437 ' HD3' ' C ' ' B' ' 55' ' ' LYS . 0.0 OUTLIER -75.37 -44.7 43.59 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.228 -0.92 . . . . 0.0 109.221 179.82 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.908 HG12 ' CZ ' ' B' ' 76' ' ' PHE . 2.2 m -80.3 -35.45 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 121.092 -1.005 . . . . 0.0 108.582 179.33 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.495 ' HB2' ' O ' ' B' ' 53' ' ' VAL . 0.0 OUTLIER -72.28 -24.98 61.42 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 179.452 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 58' ' ' GLU . . . . . 0.526 ' CG ' ' O ' ' B' ' 54' ' ' ASP . 1.2 mm-40 -74.08 -51.57 15.33 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.241 -0.912 . . . . 0.0 108.929 179.579 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 59' ' ' THR . . . . . 0.554 HG22 ' CE ' ' B' ' 29' ' ' LYS . 4.9 m -65.44 -24.21 67.12 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 179.398 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 1.0 HD22 ' HB2' ' B' ' 33' ' ' LYS . 10.8 mt -70.02 -52.9 20.33 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-O 121.474 0.654 . . . . 0.0 109.5 179.636 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.39 -11.51 59.91 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.529 -0.732 . . . . 0.0 109.654 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.446 ' O ' ' OD1' ' B' ' 63' ' ' ASP . 38.2 tt0 -72.78 -36.23 67.59 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.29 -0.881 . . . . 0.0 109.732 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.507 ' O ' ' HD3' ' B' ' 29' ' ' LYS . 68.6 m-20 -156.88 55.38 0.53 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.215 -0.928 . . . . 0.0 109.616 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 64' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' B' ' 63' ' ' ASP . . . -40.34 -27.75 0.16 Allowed Glycine 0 N--CA 1.493 2.495 0 N-CA-C 109.928 -1.269 . . . . 0.0 109.928 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' B' ' 63' ' ' ASP . 11.9 t0 -91.82 40.84 1.05 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.205 -1.174 . . . . 0.0 109.444 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.489 ' O ' ' HG2' ' B' ' 28' ' ' LYS . . . -108.09 171.9 16.56 Favored Glycine 0 N--CA 1.488 2.146 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -106.51 128.59 54.22 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.175 -1.191 . . . . 0.0 109.739 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 86.8 m -105.76 171.49 7.31 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.187 -0.946 . . . . 0.0 109.501 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' B' ' 69' ' ' ASP . 1.5 m-20 -108.54 -177.37 3.3 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.194 -0.941 . . . . 0.0 109.457 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.601 ' CE1' ' HG3' ' B' ' 71' ' ' GLN . 6.5 p90 -79.64 -34.93 40.1 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.017 -1.052 . . . . 0.0 109.195 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.601 ' HG3' ' CE1' ' B' ' 70' ' ' PHE . 1.1 mt-30 -78.63 -26.4 45.24 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.281 -0.887 . . . . 0.0 109.07 179.439 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.484 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 0.2 OUTLIER -78.19 -50.94 11.0 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.35 -0.844 . . . . 0.0 108.893 179.817 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 1.119 ' CD2' HD13 ' B' ' 32' ' ' LEU . 5.3 t80 -62.15 -22.2 65.67 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.305 -0.872 . . . . 0.0 108.886 179.439 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.751 ' HG3' HG21 ' A' ' 82' ' ' THR . 0.0 OUTLIER -80.27 -55.5 4.87 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.294 -0.879 . . . . 0.0 109.802 -179.723 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.519 ' O ' ' HG3' ' B' ' 79' ' ' MET . . . -66.26 -16.45 64.03 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.305 -0.872 . . . . 0.0 109.171 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.908 ' CZ ' HG12 ' B' ' 56' ' ' VAL . 0.1 OUTLIER -77.28 -39.18 49.02 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.386 -0.821 . . . . 0.0 109.262 179.495 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.831 HG12 ' SD ' ' A' ' 7' ' ' MET . 84.3 t -70.64 -27.66 31.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.325 -0.859 . . . . 0.0 109.863 -179.709 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 77.1 p -76.97 -42.69 37.97 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.989 -1.069 . . . . 0.0 110.596 -179.307 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 79' ' ' MET . . . . . 0.552 ' HB3' HG13 ' B' ' 52' ' ' VAL . 0.0 OUTLIER -57.76 -46.09 85.02 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.876 -1.14 . . . . 0.0 110.115 -179.507 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.769 HG21 HG21 ' B' ' 36' ' ' ILE . 25.3 m -70.4 -44.97 76.85 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 O-C-N 121.222 -0.924 . . . . 0.0 110.675 -179.003 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.737 HG21 ' HG3' ' A' ' 7' ' ' MET . 1.9 m -66.63 -8.65 28.81 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.839 -1.163 . . . . 0.0 109.521 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.732 HG21 ' HG3' ' A' ' 74' ' ' MET . 59.9 p -129.74 13.6 5.88 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.142 -0.974 . . . . 0.0 109.326 179.699 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.533 ' O ' ' CB ' ' B' ' 84' ' ' CYS . . . -44.9 -63.67 0.87 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.3 -0.875 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 84' ' ' CYS . . . . . 0.533 ' CB ' ' O ' ' B' ' 83' ' ' ALA . 0.7 OUTLIER 161.82 -170.47 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.321 -0.862 . . . . 0.0 109.726 179.735 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 85' ' ' HIS . . . . . 0.511 ' HB2' ' N ' ' B' ' 48' ' ' LYS . 0.0 OUTLIER 66.5 -83.79 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.544 -0.723 . . . . 0.0 109.387 -179.633 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 86' ' ' GLU . . . . . 0.41 ' OE1' ' HB2' ' B' ' 46' ' ' GLU . 0.0 OUTLIER -68.7 86.37 0.32 Allowed 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.968 -1.082 . . . . 0.0 108.7 179.414 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 87' ' ' PHE . . . . . 0.646 ' CZ ' ' CE2' ' B' ' 88' ' ' PHE . 9.4 t80 -114.95 101.38 8.97 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.315 -0.866 . . . . 0.0 109.469 -179.476 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.96 ' CE1' HG23 ' A' ' 11' ' ' ILE . 3.6 m-85 41.84 67.03 0.61 Allowed 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.456 -0.778 . . . . 0.0 109.472 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.465 ' O ' ' HB3' ' B' ' 90' ' ' HIS . 1.7 tp10 -100.78 31.34 3.58 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.309 -0.869 . . . . 0.0 109.896 -179.509 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 90' ' ' HIS . . . . . 0.614 ' CG ' ' O ' ' B' ' 90' ' ' HIS . 20.6 t60 61.75 11.17 3.84 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.133 -0.979 . . . . 0.0 109.676 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 . . . . . 0 N--CA 1.49 1.54 0 O-C-N 120.861 -1.15 . . . . 0.0 109.579 179.719 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 2.5 mmt . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.7 p -78.8 -177.26 5.37 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.17 -0.956 . . . . 0.0 109.331 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.892 ' HB2' HG22 ' B' ' 13' ' ' VAL . 32.3 mm-40 -69.26 -38.72 78.56 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.266 -0.896 . . . . 0.0 109.677 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.784 HD23 ' HG ' ' B' ' 40' ' ' LEU . 7.6 tp -80.15 -50.05 10.82 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.337 -0.852 . . . . 0.0 109.979 -179.632 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.551 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 61.6 tt0 -57.37 -41.97 81.2 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.04 -1.038 . . . . 0.0 109.938 -179.395 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.57 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 8.6 tptt -78.39 -38.7 41.08 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.846 -1.159 . . . . 0.0 109.735 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.601 ' CB ' ' HB3' ' B' ' 9' ' ' ALA . . . -80.12 -70.44 0.52 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.167 -0.958 . . . . 0.0 109.727 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.842 ' SD ' HG12 ' B' ' 77' ' ' VAL . 8.3 tpt -40.58 -48.31 2.85 Favored 'General case' 0 N--CA 1.491 1.587 0 CA-C-O 121.664 0.745 . . . . 0.0 109.914 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.551 ' CG2' ' O ' ' A' ' 4' ' ' GLU . 21.2 t -70.55 -38.41 73.42 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.587 0 O-C-N 121.446 -0.784 . . . . 0.0 109.855 -179.257 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.623 ' HB3' ' CB ' ' B' ' 6' ' ' ALA . . . -53.24 -44.36 68.05 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.003 -1.061 . . . . 0.0 108.874 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.801 HD22 ' CE ' ' A' ' 74' ' ' MET . 0.3 OUTLIER -54.31 -52.74 60.56 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 179.219 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.428 HG22 ' HD1' ' B' ' 88' ' ' PHE . 31.9 mm -49.7 -34.18 8.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 179.099 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -61.99 -45.47 93.5 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.549 -0.719 . . . . 0.0 109.3 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.876 HG22 ' HB2' ' B' ' 2' ' ' GLU . 53.3 t -46.84 -37.3 3.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.157 -0.964 . . . . 0.0 109.108 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 1.126 ' CZ ' HD23 ' A' ' 27' ' ' LEU . 2.1 t80 -62.67 -45.5 92.52 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.119 -0.988 . . . . 0.0 109.321 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 28.3 t60 -67.95 -7.1 25.82 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.304 -0.872 . . . . 0.0 109.559 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -93.03 -58.65 2.26 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.228 -0.92 . . . . 0.0 109.638 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -74.43 -60.88 2.07 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.179 -0.951 . . . . 0.0 109.583 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.8 t -68.88 -7.44 34.75 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.211 -0.931 . . . . 0.0 109.543 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.86 6.48 66.1 Favored Glycine 0 N--CA 1.489 2.179 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -75.85 -100.36 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.233 -1.157 . . . . 0.0 109.449 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -162.08 -169.1 2.08 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.92 -1.112 . . . . 0.0 109.466 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.44 -90.39 0.23 Allowed Glycine 0 N--CA 1.489 2.222 0 N-CA-C 109.24 -1.544 . . . . 0.0 109.24 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.551 ' HB2' ' CG ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -105.81 97.63 7.43 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.233 -1.157 . . . . 0.0 109.316 179.728 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.464 ' O ' ' HB3' ' A' ' 25' ' ' HIS . 30.0 tttm -102.51 153.33 20.17 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.362 -0.836 . . . . 0.0 109.675 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.505 ' NE2' ' CE2' ' A' ' 70' ' ' PHE . 13.1 t-160 74.16 4.59 4.58 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.361 -0.837 . . . . 0.0 109.55 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.551 ' CG ' ' HB2' ' A' ' 23' ' ' ASP . 9.4 ptmt -138.19 142.19 40.03 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.181 -0.949 . . . . 0.0 109.477 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 1.126 HD23 ' CZ ' ' A' ' 14' ' ' PHE . 0.4 OUTLIER -104.82 -165.54 1.14 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.248 -0.907 . . . . 0.0 109.479 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.522 ' CG ' ' O ' ' A' ' 66' ' ' GLY . 1.6 tttt -149.67 164.17 35.93 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.242 -0.911 . . . . 0.0 109.154 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.558 ' HE3' HG22 ' A' ' 59' ' ' THR . 3.6 mttp -76.65 -27.81 55.78 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.178 -0.951 . . . . 0.0 109.01 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.2 p -75.18 -38.07 60.97 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.446 -0.784 . . . . 0.0 109.319 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.494 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 16.7 tt0 -85.86 -19.32 30.77 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.136 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.529 ' O ' HG13 ' A' ' 36' ' ' ILE . 11.1 tp -79.99 -31.82 39.78 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 107.416 -1.327 . . . . 0.0 107.416 178.522 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.585 ' HB2' HD22 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -65.87 -43.53 88.07 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 179.076 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.549 ' HG3' ' N ' ' A' ' 35' ' ' LEU . 6.1 pt-20 -70.32 -41.95 72.6 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 179.144 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.801 ' CD1' HD22 ' B' ' 3' ' ' LEU . 0.1 OUTLIER -45.44 -43.22 11.21 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 179.524 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.529 HG13 ' O ' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -79.43 -57.71 4.85 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.129 -0.982 . . . . 0.0 109.976 -179.816 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.494 ' O ' ' HB2' ' A' ' 41' ' ' SER . 25.7 t30 -75.54 -61.26 1.97 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.318 -0.864 . . . . 0.0 110.474 -178.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.503 ' HB3' ' O ' ' A' ' 34' ' ' GLU . 21.1 t-20 -50.91 -28.7 10.23 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.187 -0.946 . . . . 0.0 110.297 -178.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.538 ' HG2' ' HB3' ' B' ' 3' ' ' LEU . 0.0 OUTLIER -101.83 -70.89 0.73 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.859 -1.151 . . . . 0.0 110.188 -179.634 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.72 ' HG ' HD23 ' B' ' 3' ' ' LEU . 84.0 mt -71.56 -99.5 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.101 -1.0 . . . . 0.0 110.025 -179.248 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.494 ' HB2' ' O ' ' A' ' 37' ' ' ASN . 7.1 t 57.98 16.25 3.62 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.888 -1.132 . . . . 0.0 109.656 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -85.89 -60.48 2.0 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.168 -0.958 . . . . 0.0 109.399 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.448 ' O ' ' O ' ' A' ' 44' ' ' LEU . 26.1 m-85 -62.35 -108.79 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.195 -0.941 . . . . 0.0 108.893 179.512 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.448 ' O ' ' O ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER 39.85 92.73 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.023 -1.048 . . . . 0.0 110.114 179.536 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -114.15 -80.04 0.59 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.267 -0.896 . . . . 0.0 108.918 179.519 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.5 ' O ' ' HG3' ' A' ' 46' ' ' GLU . 1.8 tt0 -110.13 -17.77 13.48 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.328 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.568 HG23 HG21 ' A' ' 53' ' ' VAL . 16.1 mt 74.53 99.96 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.531 -0.731 . . . . 0.0 109.861 179.511 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.608 ' HB2' ' CD2' ' A' ' 85' ' ' HIS . 2.6 tttp -89.38 -44.41 10.21 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.328 -0.857 . . . . 0.0 108.801 179.423 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.661 ' OE1' HG23 ' A' ' 52' ' ' VAL . 6.8 mm-40 -83.67 69.32 10.13 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 179.378 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.478 ' O ' ' HB2' ' A' ' 54' ' ' ASP . 0.8 OUTLIER -51.04 -23.79 3.31 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.238 -0.914 . . . . 0.0 109.553 -179.673 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.483 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 2.5 tt0 -80.24 -36.32 34.83 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.133 -0.979 . . . . 0.0 110.121 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.919 ' O ' HG22 ' A' ' 56' ' ' VAL . 33.4 t -72.05 -42.27 67.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.052 -1.03 . . . . 0.0 109.738 -179.621 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.568 HG21 HG23 ' A' ' 47' ' ' ILE . 86.6 t -78.9 -33.84 16.53 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.169 -0.957 . . . . 0.0 109.635 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.531 ' O ' ' CG ' ' A' ' 58' ' ' GLU . 49.3 m-20 -78.84 -20.67 49.07 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.03 -1.044 . . . . 0.0 108.68 179.514 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.483 ' HB2' ' O ' ' A' ' 51' ' ' GLU . 23.9 tptp -80.53 -48.2 13.11 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.33 -0.856 . . . . 0.0 109.776 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.919 HG22 ' O ' ' A' ' 52' ' ' VAL . 6.1 m -74.87 -37.89 42.75 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 O-C-N 121.015 -1.053 . . . . 0.0 109.391 -179.758 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 51.8 tpp -73.02 -23.13 60.57 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.465 -0.772 . . . . 0.0 109.288 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.531 ' CG ' ' O ' ' A' ' 54' ' ' ASP . 22.7 mt-10 -77.76 -47.1 19.81 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.927 -1.108 . . . . 0.0 108.885 179.448 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.558 HG22 ' HE3' ' A' ' 29' ' ' LYS . 4.2 m -66.57 -21.27 66.14 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 178.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.585 HD22 ' HB2' ' A' ' 33' ' ' LYS . 12.4 mt -74.77 -58.84 3.03 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-O 121.627 0.727 . . . . 0.0 109.063 179.457 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.12 -4.83 46.46 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.544 -0.723 . . . . 0.0 109.527 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.45 ' CB ' ' O ' ' A' ' 58' ' ' GLU . 52.9 tt0 -80.41 -54.5 5.65 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.224 -0.922 . . . . 0.0 109.598 -179.72 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.502 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 1.1 t0 -128.03 47.59 2.39 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.434 -0.792 . . . . 0.0 109.965 -179.583 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.51 ' HA2' ' HB2' ' A' ' 29' ' ' LYS . . . -39.45 -29.26 0.13 Allowed Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.486 ' N ' ' O ' ' A' ' 63' ' ' ASP . 27.6 t70 -92.93 42.51 1.1 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.334 -1.098 . . . . 0.0 109.44 179.559 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.522 ' O ' ' CG ' ' A' ' 28' ' ' LYS . . . -120.4 175.29 15.93 Favored Glycine 0 N--CA 1.489 2.173 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -115.2 152.88 31.85 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.053 -1.263 . . . . 0.0 110.146 -179.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.92 -171.5 2.59 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.467 -0.771 . . . . 0.0 109.241 179.656 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -122.08 174.59 6.84 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.189 -0.944 . . . . 0.0 109.351 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.58 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 6.9 p90 -72.14 -32.14 66.64 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.293 -0.879 . . . . 0.0 109.272 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.488 ' HG3' ' N ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -80.09 -29.81 39.12 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.161 -0.962 . . . . 0.0 109.152 179.804 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.488 ' N ' ' HG3' ' A' ' 71' ' ' GLN . 0.6 OUTLIER -72.22 -58.54 3.33 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.275 -0.891 . . . . 0.0 108.665 179.491 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.712 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -57.55 -25.05 59.36 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 179.141 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.801 ' CE ' HD22 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -69.11 -54.74 13.44 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.591 -0.693 . . . . 0.0 109.531 -179.841 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.472 ' O ' ' HG3' ' A' ' 79' ' ' MET . . . -69.18 -16.08 63.55 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.331 -0.856 . . . . 0.0 109.096 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.653 ' O ' HG22 ' A' ' 80' ' ' VAL . 1.4 m-85 -79.85 -37.81 34.15 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.408 -0.807 . . . . 0.0 109.225 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.833 HG12 ' SD ' ' B' ' 7' ' ' MET . 69.6 t -72.8 -26.27 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.437 -0.79 . . . . 0.0 110.03 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 21.8 m -77.95 -49.88 13.27 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.215 -0.928 . . . . 0.0 110.572 -179.162 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.473 ' HB3' ' CG1' ' A' ' 52' ' ' VAL . 0.5 OUTLIER -54.53 -46.64 73.6 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.011 -1.056 . . . . 0.0 110.545 -179.086 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.794 ' CG1' HG21 ' A' ' 56' ' ' VAL . 3.3 m -63.01 -40.29 88.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.053 -1.029 . . . . 0.0 110.315 -179.111 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.479 ' OG1' ' O ' ' A' ' 77' ' ' VAL . 0.2 OUTLIER -69.42 -10.12 56.59 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.927 -1.108 . . . . 0.0 109.419 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -113.0 -0.11 14.87 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.228 -0.92 . . . . 0.0 109.653 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.529 ' HB1' HG23 ' A' ' 53' ' ' VAL . . . -87.09 30.0 0.79 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.172 -0.955 . . . . 0.0 109.629 179.702 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 5.5 m -127.62 -176.92 3.9 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.157 -0.964 . . . . 0.0 109.542 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.608 ' CD2' ' HB2' ' A' ' 48' ' ' LYS . 2.4 m80 -104.9 -44.5 4.8 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.121 -0.987 . . . . 0.0 109.709 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.4 ' OE2' ' HG2' ' A' ' 91' ' ' GLU . 1.8 mp0 -103.15 81.24 1.93 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.202 -0.936 . . . . 0.0 109.631 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.429 ' O ' HG21 ' B' ' 11' ' ' ILE . 5.5 p90 -107.47 -6.75 16.87 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.158 -0.964 . . . . 0.0 109.669 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.533 ' CZ ' ' HB3' ' B' ' 14' ' ' PHE . 7.5 m-30 -97.09 -64.67 1.02 Allowed 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 179.283 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 178.3 -70.09 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.507 0 C-N-CA 119.969 -0.693 . . . . 0.0 109.751 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 8.8 p-80 -67.18 -164.38 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.296 -0.878 . . . . 0.0 109.776 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.4 ' HG2' ' OE2' ' A' ' 86' ' ' GLU . 63.7 mt-10 . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 117.965 -1.017 . . . . 0.0 109.504 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 2.6 mmt . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 3.7 p -78.63 -177.22 5.25 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.221 -0.924 . . . . 0.0 109.372 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.876 ' HB2' HG22 ' A' ' 13' ' ' VAL . 32.5 mm-40 -69.32 -38.75 78.35 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.345 -0.847 . . . . 0.0 109.631 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.801 HD22 ' CD1' ' A' ' 35' ' ' LEU . 7.6 tp -80.09 -50.07 10.85 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.34 -0.85 . . . . 0.0 109.967 -179.597 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.549 ' O ' ' CG2' ' B' ' 8' ' ' VAL . 61.4 tt0 -57.35 -42.01 81.19 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.066 -1.021 . . . . 0.0 109.905 -179.42 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.575 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 8.7 tptt -78.48 -38.46 40.9 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.77 -1.206 . . . . 0.0 109.763 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.623 ' CB ' ' HB3' ' A' ' 9' ' ' ALA . . . -80.29 -70.46 0.52 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.31 -0.869 . . . . 0.0 109.684 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 7' ' ' MET . . . . . 0.833 ' SD ' HG12 ' A' ' 77' ' ' VAL . 8.2 tpt -40.56 -48.33 2.83 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 121.705 0.765 . . . . 0.0 109.891 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.549 ' CG2' ' O ' ' B' ' 4' ' ' GLU . 21.0 t -70.47 -38.53 74.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.592 0 O-C-N 121.31 -0.869 . . . . 0.0 109.957 -179.369 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.601 ' HB3' ' CB ' ' A' ' 6' ' ' ALA . . . -53.11 -44.34 67.57 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.968 -1.083 . . . . 0.0 108.927 179.591 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.794 HD22 ' CE ' ' B' ' 74' ' ' MET . 0.3 OUTLIER -54.36 -52.8 60.49 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 179.209 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.447 HD13 ' HA ' ' B' ' 11' ' ' ILE . 32.3 mm -49.61 -34.26 8.46 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 179.047 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -62.0 -45.35 94.01 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.398 -0.814 . . . . 0.0 109.335 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.892 HG22 ' HB2' ' A' ' 2' ' ' GLU . 53.7 t -46.92 -37.35 3.65 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.223 -0.923 . . . . 0.0 109.009 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 1.119 ' CZ ' HD23 ' B' ' 27' ' ' LEU . 2.1 t80 -62.53 -45.57 92.35 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.235 -0.916 . . . . 0.0 109.358 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 28.4 t60 -67.94 -7.22 26.7 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.249 -0.907 . . . . 0.0 109.568 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -92.88 -58.62 2.28 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.314 -0.866 . . . . 0.0 109.707 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -74.51 -60.86 2.08 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.274 -0.891 . . . . 0.0 109.53 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 3.8 t -68.81 -7.39 33.78 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.363 -0.836 . . . . 0.0 109.682 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.98 6.48 66.59 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.582 -1.407 . . . . 0.0 109.582 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -75.81 -100.36 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.212 -1.169 . . . . 0.0 109.36 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -161.98 -169.09 2.09 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.883 -1.135 . . . . 0.0 109.458 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.48 -90.34 0.23 Allowed Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.323 -1.511 . . . . 0.0 109.323 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.549 ' HB2' ' CG ' ' B' ' 26' ' ' LYS . 0.0 OUTLIER -105.85 97.67 7.46 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.25 -1.147 . . . . 0.0 109.296 179.681 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.467 ' O ' ' CB ' ' B' ' 25' ' ' HIS . 30.2 tttm -102.51 153.42 20.09 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.415 -0.803 . . . . 0.0 109.653 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 25' ' ' HIS . . . . . 0.515 ' NE2' ' CE2' ' B' ' 70' ' ' PHE . 13.1 t-160 74.23 4.4 4.53 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.204 -0.935 . . . . 0.0 109.601 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.549 ' CG ' ' HB2' ' B' ' 23' ' ' ASP . 9.5 ptmt -138.14 142.22 40.14 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.228 -0.92 . . . . 0.0 109.464 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 1.119 HD23 ' CZ ' ' B' ' 14' ' ' PHE . 0.4 OUTLIER -104.85 -165.62 1.15 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.204 -0.935 . . . . 0.0 109.455 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.524 ' CG ' ' O ' ' B' ' 66' ' ' GLY . 1.6 tttt -149.53 164.18 35.76 Favored 'General case' 0 N--CA 1.486 1.336 0 O-C-N 121.304 -0.873 . . . . 0.0 109.109 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.547 ' HE3' HG22 ' B' ' 59' ' ' THR . 3.6 mttp -76.73 -27.74 55.54 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.128 -0.982 . . . . 0.0 108.957 179.682 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 6.2 p -75.13 -38.21 61.11 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.269 -0.894 . . . . 0.0 109.363 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.504 ' O ' ' HG2' ' B' ' 34' ' ' GLU . 16.6 tt0 -85.82 -19.27 30.92 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.169 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.538 ' O ' HG13 ' B' ' 36' ' ' ILE . 11.0 tp -79.97 -31.94 39.85 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 107.295 -1.372 . . . . 0.0 107.295 178.571 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.573 ' HB2' HD22 ' B' ' 60' ' ' LEU . 0.4 OUTLIER -65.88 -43.5 88.11 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.104 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.54 ' HG3' ' N ' ' B' ' 35' ' ' LEU . 6.1 pt-20 -70.45 -41.91 72.18 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 107.918 -1.142 . . . . 0.0 107.918 179.267 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.755 ' CD1' HD22 ' A' ' 3' ' ' LEU . 0.1 OUTLIER -45.5 -43.22 11.5 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.49 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.538 HG13 ' O ' ' B' ' 32' ' ' LEU . 0.4 OUTLIER -79.36 -57.92 4.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.169 -0.957 . . . . 0.0 109.958 -179.862 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.495 ' O ' ' HB2' ' B' ' 41' ' ' SER . 25.7 t30 -75.4 -61.27 1.96 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.285 -0.885 . . . . 0.0 110.623 -179.006 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.489 ' HB3' ' O ' ' B' ' 34' ' ' GLU . 21.1 t-20 -50.89 -28.63 10.02 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.117 -0.989 . . . . 0.0 110.303 -178.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.505 ' HG2' ' HB3' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -101.94 -70.84 0.74 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.944 -1.098 . . . . 0.0 110.21 -179.637 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.784 ' HG ' HD23 ' A' ' 3' ' ' LEU . 83.7 mt -71.5 -99.62 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.134 -0.979 . . . . 0.0 109.967 -179.308 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.495 ' HB2' ' O ' ' B' ' 37' ' ' ASN . 7.2 t 58.01 16.27 3.66 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.997 -1.064 . . . . 0.0 109.692 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -86.05 -60.38 2.03 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.141 -0.974 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 43' ' ' PHE . . . . . 0.452 ' O ' ' O ' ' B' ' 44' ' ' LEU . 26.0 m-85 -62.35 -108.84 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.147 -0.97 . . . . 0.0 108.928 179.507 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.452 ' O ' ' O ' ' B' ' 43' ' ' PHE . 0.1 OUTLIER 39.86 92.66 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.085 -1.01 . . . . 0.0 110.225 179.52 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -114.15 -80.07 0.59 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.257 -0.902 . . . . 0.0 108.883 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.506 ' O ' ' HG3' ' B' ' 46' ' ' GLU . 1.8 tt0 -110.18 -17.82 13.45 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 179.347 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.56 HG23 HG21 ' B' ' 53' ' ' VAL . 16.0 mt 74.54 100.04 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.478 -0.764 . . . . 0.0 109.888 179.485 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.594 ' HB2' ' CD2' ' B' ' 85' ' ' HIS . 2.5 tttp -89.45 -44.48 10.12 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.295 -0.878 . . . . 0.0 108.777 179.472 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.641 ' OE1' HG23 ' B' ' 52' ' ' VAL . 6.8 mm-40 -83.67 69.36 10.14 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 179.392 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 50' ' ' GLN . . . . . 0.48 ' O ' ' HB2' ' B' ' 54' ' ' ASP . 0.8 OUTLIER -51.01 -23.84 3.28 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.337 -0.852 . . . . 0.0 109.539 -179.687 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.491 ' O ' ' HB2' ' B' ' 55' ' ' LYS . 2.5 tt0 -80.11 -36.46 35.36 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.298 -0.876 . . . . 0.0 110.051 -179.549 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.901 ' O ' HG22 ' B' ' 56' ' ' VAL . 33.0 t -72.08 -42.24 67.65 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.461 0 O-C-N 121.055 -1.028 . . . . 0.0 109.729 -179.505 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.56 HG21 HG23 ' B' ' 47' ' ' ILE . 87.2 t -78.85 -33.85 16.65 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.129 -0.982 . . . . 0.0 109.68 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 54' ' ' ASP . . . . . 0.535 ' O ' ' CG ' ' B' ' 58' ' ' GLU . 49.4 m-20 -78.8 -20.87 48.75 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.121 -0.987 . . . . 0.0 108.691 179.512 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.491 ' HB2' ' O ' ' B' ' 51' ' ' GLU . 23.9 tptp -80.32 -48.27 13.24 Favored 'General case' 0 N--CA 1.485 1.324 0 O-C-N 121.28 -0.888 . . . . 0.0 109.773 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.901 HG22 ' O ' ' B' ' 52' ' ' VAL . 6.1 m -74.88 -37.85 42.59 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.363 0 O-C-N 120.999 -1.063 . . . . 0.0 109.431 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 52.1 tpp -73.11 -23.1 60.46 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.471 -0.768 . . . . 0.0 109.203 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' GLU . . . . . 0.535 ' CG ' ' O ' ' B' ' 54' ' ' ASP . 22.7 mt-10 -77.72 -47.2 19.67 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 119.218 -0.993 . . . . 0.0 108.895 179.437 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 59' ' ' THR . . . . . 0.547 HG22 ' HE3' ' B' ' 29' ' ' LYS . 4.2 m -66.47 -21.21 66.19 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 178.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.573 HD22 ' HB2' ' B' ' 33' ' ' LYS . 12.4 mt -74.74 -58.98 2.94 Favored 'General case' 0 N--CA 1.487 1.424 0 CA-C-O 121.671 0.748 . . . . 0.0 109.101 179.414 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.02 -4.89 46.5 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.609 -0.682 . . . . 0.0 109.476 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.45 ' HB2' ' O ' ' B' ' 58' ' ' GLU . 52.9 tt0 -80.27 -54.51 5.66 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.286 -0.884 . . . . 0.0 109.689 -179.762 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.507 ' O ' ' HD3' ' B' ' 29' ' ' LYS . 1.1 t0 -127.99 47.57 2.39 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.415 -0.803 . . . . 0.0 109.996 -179.661 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 64' ' ' GLY . . . . . 0.505 ' HA2' ' HB2' ' B' ' 29' ' ' LYS . . . -39.35 -29.31 0.12 Allowed Glycine 0 N--CA 1.492 2.42 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 179.673 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' B' ' 63' ' ' ASP . 27.6 t70 -92.97 42.46 1.1 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.343 -1.092 . . . . 0.0 109.396 179.587 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.524 ' O ' ' CG ' ' B' ' 28' ' ' LYS . . . -120.44 175.32 15.94 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -115.25 152.89 31.89 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.15 -1.206 . . . . 0.0 110.121 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.94 -171.52 2.59 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.382 -0.824 . . . . 0.0 109.189 179.697 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -121.99 174.56 6.83 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.183 -0.948 . . . . 0.0 109.238 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.579 ' HA ' ' CE2' ' B' ' 14' ' ' PHE . 6.8 p90 -72.22 -32.19 66.52 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.206 -0.934 . . . . 0.0 109.207 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.486 ' HG3' ' N ' ' B' ' 72' ' ' GLU . 0.0 OUTLIER -79.87 -29.8 40.07 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.194 -0.941 . . . . 0.0 109.246 179.703 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.486 ' N ' ' HG3' ' B' ' 71' ' ' GLN . 0.6 OUTLIER -72.32 -58.44 3.4 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.299 -0.875 . . . . 0.0 108.728 179.508 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.704 ' O ' HG23 ' B' ' 77' ' ' VAL . 0.0 OUTLIER -57.58 -24.99 59.29 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 179.134 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.794 ' CE ' HD22 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -69.22 -54.7 13.41 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.561 -0.712 . . . . 0.0 109.576 -179.809 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.466 ' O ' ' HG3' ' B' ' 79' ' ' MET . . . -69.15 -15.95 63.53 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.252 -0.905 . . . . 0.0 109.018 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.645 ' O ' HG22 ' B' ' 80' ' ' VAL . 1.4 m-85 -80.0 -37.8 33.45 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.427 -0.796 . . . . 0.0 109.256 179.759 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.842 HG12 ' SD ' ' A' ' 7' ' ' MET . 68.5 t -72.77 -26.25 23.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.384 -0.823 . . . . 0.0 109.905 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 21.5 m -77.97 -50.04 12.92 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.205 -0.935 . . . . 0.0 110.622 -179.14 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 79' ' ' MET . . . . . 0.471 ' HB3' ' CG1' ' B' ' 52' ' ' VAL . 0.5 OUTLIER -54.42 -46.47 73.19 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.067 -1.02 . . . . 0.0 110.552 -179.12 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.787 ' CG1' HG21 ' B' ' 56' ' ' VAL . 3.3 m -63.03 -40.46 89.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.104 -0.998 . . . . 0.0 110.38 -179.15 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.468 ' OG1' ' O ' ' B' ' 77' ' ' VAL . 0.2 OUTLIER -69.43 -10.07 56.38 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.911 -1.118 . . . . 0.0 109.356 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -113.03 -0.06 14.86 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.241 -0.912 . . . . 0.0 109.606 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.532 ' HB1' HG23 ' B' ' 53' ' ' VAL . . . -87.28 30.11 0.81 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.136 -0.978 . . . . 0.0 109.61 179.751 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 5.4 m -127.56 -176.87 3.88 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.137 -0.977 . . . . 0.0 109.518 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 85' ' ' HIS . . . . . 0.594 ' CD2' ' HB2' ' B' ' 48' ' ' LYS . 2.5 m80 -105.03 -44.5 4.78 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.118 -0.989 . . . . 0.0 109.555 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -103.06 81.02 1.92 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.314 -0.866 . . . . 0.0 109.615 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 87' ' ' PHE . . . . . 0.432 ' HE1' ' CZ ' ' B' ' 88' ' ' PHE . 5.6 p90 -107.34 -6.65 17.04 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.183 -0.948 . . . . 0.0 109.733 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.481 ' CZ ' ' HB3' ' A' ' 14' ' ' PHE . 7.5 m-30 -97.21 -64.58 1.03 Allowed 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 108.172 -1.048 . . . . 0.0 108.172 179.302 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 178.18 -70.02 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.541 -0.725 . . . . 0.0 109.812 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 8.8 p-80 -67.32 -164.32 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.369 -0.832 . . . . 0.0 109.89 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 . . . . . 0 N--CA 1.489 1.52 0 CA-C-O 118.018 -0.991 . . . . 0.0 109.475 -179.886 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.608 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.496 ' OG ' ' HB3' ' A' ' 4' ' ' GLU . 93.4 p -135.93 172.29 13.23 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.247 -0.908 . . . . 0.0 109.69 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.821 ' HB2' HG22 ' B' ' 13' ' ' VAL . 46.6 mm-40 -80.44 -36.0 34.22 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.417 -0.802 . . . . 0.0 109.703 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.689 HD11 HD21 ' B' ' 10' ' ' LEU . 7.0 tp -76.84 -49.39 15.86 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.349 -0.844 . . . . 0.0 110.425 -178.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.539 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 2.6 tm-20 -57.76 -37.32 73.43 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 120.915 -1.115 . . . . 0.0 110.409 -178.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.78 -53.62 6.34 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.823 -1.173 . . . . 0.0 110.471 -179.213 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.62 ' HB1' ' HB3' ' B' ' 9' ' ' ALA . . . -67.11 -58.11 5.5 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.156 -0.965 . . . . 0.0 110.42 -179.032 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.665 ' SD ' HD11 ' B' ' 10' ' ' LEU . 11.3 tpt -51.02 -55.7 16.15 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.334 -0.854 . . . . 0.0 110.112 -179.254 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.539 ' CG2' ' O ' ' A' ' 4' ' ' GLU . 21.6 t -61.29 -30.46 47.97 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.579 0 O-C-N 121.337 -0.852 . . . . 0.0 109.904 -179.175 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.614 ' HB3' ' HB1' ' B' ' 6' ' ' ALA . . . -61.09 -45.78 93.3 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.999 -1.063 . . . . 0.0 108.88 179.49 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.769 HD13 ' CE ' ' A' ' 74' ' ' MET . 0.2 OUTLIER -51.65 -41.0 61.01 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.304 -0.873 . . . . 0.0 108.691 179.589 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.593 ' N ' HD12 ' A' ' 11' ' ' ILE . 1.5 mp -58.22 -41.21 80.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 179.229 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -53.45 -53.05 56.94 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.415 -0.803 . . . . 0.0 109.036 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.824 HG22 ' HB2' ' B' ' 2' ' ' GLU . 52.9 t -45.76 -35.36 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.351 -0.843 . . . . 0.0 109.4 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.969 ' CZ ' HD23 ' A' ' 27' ' ' LEU . 20.2 t80 -60.14 -50.27 74.35 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.246 -0.909 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -77.4 1.65 18.4 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.216 -0.928 . . . . 0.0 109.458 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.462 ' HB2' ' HA ' ' A' ' 13' ' ' VAL . 2.9 tp60 -76.41 -51.38 11.95 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 179.42 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.992 ' CE1' HD21 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -137.43 67.01 1.44 Allowed 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.432 -0.792 . . . . 0.0 109.572 179.109 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.3 t -126.81 -35.81 2.27 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.252 -0.905 . . . . 0.0 108.999 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -96.92 -18.58 29.14 Favored Glycine 0 N--CA 1.488 2.115 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 46.8 mtp85 -77.73 -45.87 23.46 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.289 -1.124 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -81.11 -72.97 0.4 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.445 -0.784 . . . . 0.0 109.253 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.21 -127.39 0.09 OUTLIER Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.326 -1.51 . . . . 0.0 109.326 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.489 ' O ' ' HB2' ' A' ' 24' ' ' LYS . 27.1 t0 -113.9 -60.36 1.89 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.179 -1.189 . . . . 0.0 109.475 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.519 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 28.1 ttpt 166.59 144.99 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.324 -0.86 . . . . 0.0 109.325 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.629 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 9.0 t-80 64.72 12.72 7.85 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.326 -0.859 . . . . 0.0 109.733 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.624 ' O ' HD22 ' A' ' 27' ' ' LEU . 7.8 mttt -140.03 168.95 18.63 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.575 -1.328 . . . . 0.0 109.906 179.434 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.969 HD23 ' CZ ' ' A' ' 14' ' ' PHE . 0.6 OUTLIER -131.91 -165.18 1.55 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.465 -0.772 . . . . 0.0 109.098 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.436 ' HA ' ' O ' ' A' ' 66' ' ' GLY . 0.0 OUTLIER -150.02 169.89 20.15 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.205 -0.935 . . . . 0.0 109.78 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.498 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 6.4 mmtt -79.58 -25.78 41.46 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.346 -0.846 . . . . 0.0 109.327 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.01 -38.06 32.87 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.256 -0.903 . . . . 0.0 109.505 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.49 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 10.6 tt0 -83.76 -20.07 34.0 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 179.284 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.526 ' O ' HG13 ' A' ' 36' ' ' ILE . 24.9 tp -80.98 -37.98 28.38 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 178.581 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.642 ' HB2' HD22 ' A' ' 60' ' ' LEU . 3.0 tttt -64.33 -34.24 77.68 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 179.443 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.535 ' HG3' ' N ' ' A' ' 35' ' ' LEU . 8.5 pt-20 -80.25 -42.24 23.55 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 179.511 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.992 HD21 ' CE1' ' A' ' 17' ' ' TYR . 0.1 OUTLIER -45.16 -50.83 11.09 Favored 'General case' 0 C--N 1.295 -1.798 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 179.687 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 1.129 ' CG2' HG21 ' A' ' 80' ' ' VAL . 0.2 OUTLIER -78.8 -49.86 19.7 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 O-C-N 121.412 -0.805 . . . . 0.0 109.915 -179.735 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.554 ' O ' ' CB ' ' A' ' 41' ' ' SER . 15.6 t-20 -72.61 -68.26 0.49 Allowed 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.299 -0.876 . . . . 0.0 110.085 -179.21 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.529 ' HB3' ' O ' ' A' ' 34' ' ' GLU . 13.5 t-20 -43.89 -23.2 0.08 Allowed 'General case' 0 C--N 1.3 -1.585 0 O-C-N 120.919 -1.113 . . . . 0.0 110.334 -179.478 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.465 ' HB2' ' O ' ' A' ' 35' ' ' LEU . 18.4 mm-40 -109.11 -76.39 0.61 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.722 -1.236 . . . . 0.0 111.72 -178.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.583 ' N ' HD23 ' A' ' 40' ' ' LEU . 4.5 mt -66.85 -12.48 59.29 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.921 -1.112 . . . . 0.0 112.041 -177.627 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.554 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 47.2 t -55.92 -40.42 73.06 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.543 -1.348 . . . . 0.0 109.917 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.2 m170 -61.1 -28.28 68.97 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.042 -1.036 . . . . 0.0 109.8 -179.484 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.56 ' O ' ' CG ' ' A' ' 43' ' ' PHE . 18.1 t80 -102.79 1.85 34.76 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.286 -0.884 . . . . 0.0 109.897 -179.532 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.688 HD21 HD11 ' A' ' 47' ' ' ILE . 1.2 tt -113.57 128.56 56.48 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.07 -1.019 . . . . 0.0 109.757 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -165.73 24.42 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.303 -0.873 . . . . 0.0 109.676 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.471 ' OE1' ' HA ' ' A' ' 46' ' ' GLU . 5.1 mm-40 -133.82 -54.15 0.87 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.265 -0.897 . . . . 0.0 108.884 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.688 HD11 HD21 ' A' ' 44' ' ' LEU . 5.9 mt 54.06 96.43 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.335 -0.853 . . . . 0.0 109.83 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.496 ' HG3' ' ND1' ' A' ' 85' ' ' HIS . 0.0 OUTLIER -95.26 -33.17 12.67 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.176 -0.952 . . . . 0.0 109.018 179.403 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.503 ' OE1' HG23 ' A' ' 52' ' ' VAL . 2.7 mm-40 -89.11 68.48 8.23 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.289 -0.882 . . . . 0.0 109.195 179.661 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.529 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 3.6 tp60 -43.78 -26.74 0.27 Allowed 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.247 -0.908 . . . . 0.0 109.536 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 49' ' ' GLU . 4.6 tt0 -76.13 -44.87 36.45 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.202 -0.936 . . . . 0.0 109.823 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.503 HG23 ' OE1' ' A' ' 49' ' ' GLU . 96.9 t -61.19 -55.25 25.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.225 -0.922 . . . . 0.0 109.736 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.546 HG21 HG12 ' A' ' 47' ' ' ILE . 74.5 t -66.88 -29.16 45.38 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.242 -0.911 . . . . 0.0 109.782 -179.645 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.529 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 14.2 t70 -75.89 -21.89 56.67 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.085 -1.009 . . . . 0.0 109.154 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -81.16 -51.64 8.22 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.134 -0.979 . . . . 0.0 109.649 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.597 ' HA ' ' CE2' ' A' ' 76' ' ' PHE . 35.8 m -69.17 -47.08 76.44 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.302 0 O-C-N 121.068 -1.02 . . . . 0.0 108.756 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.595 ' N ' HG23 ' A' ' 56' ' ' VAL . 28.8 tpp -62.95 -20.03 64.84 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 178.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.521 ' CG ' ' O ' ' A' ' 54' ' ' ASP . 2.7 mt-10 -72.46 -57.56 4.07 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.494 -0.754 . . . . 0.0 109.588 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.466 ' O ' ' HB3' ' A' ' 62' ' ' GLU . 0.2 OUTLIER -58.87 -38.71 79.42 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.465 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.642 HD22 ' HB2' ' A' ' 33' ' ' LYS . 12.0 mt -55.06 -55.38 31.67 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 179.239 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.81 -2.04 45.54 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.466 -0.771 . . . . 0.0 109.386 179.594 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.466 ' HB3' ' O ' ' A' ' 59' ' ' THR . 40.1 tt0 -68.2 -32.37 72.54 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.129 -0.982 . . . . 0.0 109.178 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -150.51 -48.66 0.13 Allowed 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.33 -0.857 . . . . 0.0 109.637 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.45 ' C ' ' HB2' ' A' ' 29' ' ' LYS . . . 88.23 -19.3 36.01 Favored Glycine 0 N--CA 1.489 2.224 0 N-CA-C 109.463 -1.455 . . . . 0.0 109.463 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -121.54 83.41 2.08 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.351 -1.088 . . . . 0.0 109.346 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.436 ' O ' ' HA ' ' A' ' 28' ' ' LYS . . . -143.39 -177.36 18.27 Favored Glycine 0 N--CA 1.488 2.111 0 N-CA-C 109.531 -1.428 . . . . 0.0 109.531 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -121.86 127.47 50.54 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.311 -1.111 . . . . 0.0 109.46 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 49.5 m -109.78 168.45 9.41 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.284 -0.885 . . . . 0.0 109.848 -179.622 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -99.25 -170.35 1.9 Allowed 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.232 -0.917 . . . . 0.0 109.001 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.611 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 3.4 p90 -84.47 -36.81 22.02 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.105 -0.997 . . . . 0.0 109.593 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.604 ' HG2' ' CD2' ' A' ' 70' ' ' PHE . 0.3 OUTLIER -81.12 -13.78 58.34 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.867 -1.146 . . . . 0.0 108.978 179.077 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.456 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 1.5 mm-40 -78.35 -48.4 15.66 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.313 -0.867 . . . . 0.0 108.701 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.588 ' CE1' ' HG ' ' A' ' 35' ' ' LEU . 0.3 OUTLIER -68.73 -29.97 68.5 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.276 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.769 ' CE ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -74.15 -45.78 46.55 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.366 -0.834 . . . . 0.0 109.528 -179.761 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.532 ' O ' ' CG ' ' A' ' 79' ' ' MET . . . -72.03 -18.39 61.96 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.416 -0.803 . . . . 0.0 108.957 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.597 ' CE2' ' HA ' ' A' ' 56' ' ' VAL . 0.2 OUTLIER -80.06 -37.94 32.86 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.421 -0.8 . . . . 0.0 109.609 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.71 HG12 ' HE2' ' B' ' 7' ' ' MET . 98.6 t -70.19 -27.0 30.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.224 -0.923 . . . . 0.0 109.51 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.654 ' O ' HG23 ' A' ' 82' ' ' THR . 15.8 m -76.05 -26.09 56.24 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.188 -0.945 . . . . 0.0 109.671 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.532 ' CG ' ' O ' ' A' ' 75' ' ' ALA . 5.2 mtp -69.44 -50.61 44.09 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.276 -0.89 . . . . 0.0 109.142 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 1.129 HG21 ' CG2' ' A' ' 36' ' ' ILE . 12.0 m -70.54 -40.97 77.92 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.361 0 O-C-N 121.386 -0.822 . . . . 0.0 109.95 -179.614 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.507 ' OG1' ' CD1' ' A' ' 40' ' ' LEU . 22.1 m -67.43 -9.99 47.08 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.132 -0.98 . . . . 0.0 109.046 179.343 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.654 HG23 ' O ' ' A' ' 78' ' ' SER . 74.2 p -115.12 -11.79 12.0 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.376 -0.828 . . . . 0.0 109.353 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.488 ' O ' ' HA ' ' A' ' 47' ' ' ILE . . . -86.91 54.79 3.3 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.322 -0.861 . . . . 0.0 109.337 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 72.8 m -123.56 173.67 7.91 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.286 -0.884 . . . . 0.0 109.511 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.496 ' ND1' ' HG3' ' A' ' 48' ' ' LYS . 2.4 t60 -99.25 148.61 23.95 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.358 -0.839 . . . . 0.0 109.165 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.455 ' OE2' ' CD2' ' A' ' 85' ' ' HIS . 1.3 mt-10 51.72 66.32 1.23 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.196 -0.94 . . . . 0.0 109.331 -179.72 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.3 t80 46.74 -159.16 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.308 -0.87 . . . . 0.0 109.763 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.489 ' CE1' ' HA ' ' A' ' 82' ' ' THR . 0.1 OUTLIER -145.28 102.91 3.79 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.323 -0.86 . . . . 0.0 109.225 -179.685 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -149.07 -80.96 0.12 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.26 -0.9 . . . . 0.0 109.798 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -148.62 61.16 1.08 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.316 -0.865 . . . . 0.0 109.422 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 . . . . . 0 N--CA 1.488 1.44 0 CA-C-O 117.932 -1.032 . . . . 0.0 109.404 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 1' ' ' SER . . . . . 0.501 ' OG ' ' HB3' ' B' ' 4' ' ' GLU . 93.4 p -136.06 172.3 13.21 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.143 -0.973 . . . . 0.0 109.643 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.824 ' HB2' HG22 ' A' ' 13' ' ' VAL . 46.3 mm-40 -80.44 -36.01 34.2 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.399 -0.813 . . . . 0.0 109.792 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.674 HD11 HD21 ' A' ' 10' ' ' LEU . 7.0 tp -76.78 -49.41 15.97 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.371 -0.831 . . . . 0.0 110.416 -179.008 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.542 ' O ' ' CG2' ' B' ' 8' ' ' VAL . 2.6 tm-20 -57.74 -37.36 73.45 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 120.923 -1.111 . . . . 0.0 110.462 -178.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.75 -53.64 6.33 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.863 -1.148 . . . . 0.0 110.462 -179.247 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.614 ' HB1' ' HB3' ' A' ' 9' ' ' ALA . . . -67.04 -58.21 5.36 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.078 -1.014 . . . . 0.0 110.487 -179.023 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 7' ' ' MET . . . . . 0.71 ' HE2' HG12 ' A' ' 77' ' ' VAL . 11.4 tpt -50.89 -55.71 15.78 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.282 -0.887 . . . . 0.0 110.124 -179.312 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.542 ' CG2' ' O ' ' B' ' 4' ' ' GLU . 21.6 t -61.32 -30.47 48.01 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 O-C-N 121.319 -0.863 . . . . 0.0 110.0 -179.195 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.62 ' HB3' ' HB1' ' A' ' 6' ' ' ALA . . . -61.16 -45.73 93.45 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.888 -1.132 . . . . 0.0 108.934 179.414 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.778 HD13 ' CE ' ' B' ' 74' ' ' MET . 0.2 OUTLIER -51.58 -41.11 60.93 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.272 -0.892 . . . . 0.0 108.628 179.514 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.605 ' N ' HD12 ' B' ' 11' ' ' ILE . 1.5 mp -58.04 -41.41 80.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 N-CA-C 108.555 -0.905 . . . . 0.0 108.555 179.158 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -53.3 -53.01 57.12 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.471 -0.768 . . . . 0.0 109.066 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.821 HG22 ' HB2' ' A' ' 2' ' ' GLU . 53.2 t -45.83 -35.4 2.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.339 -0.851 . . . . 0.0 109.399 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.975 ' CZ ' HD23 ' B' ' 27' ' ' LEU . 20.3 t80 -60.11 -50.3 74.25 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.196 -0.94 . . . . 0.0 109.223 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -77.31 1.54 18.46 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.345 -0.847 . . . . 0.0 109.543 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.455 ' HB2' ' HA ' ' B' ' 13' ' ' VAL . 2.9 tp60 -76.4 -51.29 12.15 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 179.383 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.98 ' CE1' HD21 ' B' ' 35' ' ' LEU . 0.1 OUTLIER -137.42 66.94 1.44 Allowed 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.433 -0.792 . . . . 0.0 109.506 179.177 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 8.4 t -126.79 -35.84 2.27 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.391 -0.818 . . . . 0.0 109.047 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -96.89 -18.58 29.19 Favored Glycine 0 N--CA 1.488 2.108 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 47.0 mtp85 -77.69 -45.81 23.79 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.269 -1.136 . . . . 0.0 109.422 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -81.22 -72.86 0.4 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.355 -0.841 . . . . 0.0 109.28 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.27 -127.38 0.09 OUTLIER Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.265 -1.534 . . . . 0.0 109.265 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.492 ' O ' ' HB2' ' B' ' 24' ' ' LYS . 27.2 t0 -113.91 -60.34 1.9 Allowed 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.2 -1.177 . . . . 0.0 109.507 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.527 ' O ' ' HG3' ' B' ' 26' ' ' LYS . 28.2 ttpt 166.62 144.99 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.388 -0.82 . . . . 0.0 109.28 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 25' ' ' HIS . . . . . 0.629 ' CG ' ' O ' ' B' ' 25' ' ' HIS . 9.0 t-80 64.68 12.76 7.84 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.394 -0.816 . . . . 0.0 109.723 179.707 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.623 ' O ' HD22 ' B' ' 27' ' ' LEU . 7.7 mttt -140.02 168.98 18.56 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.539 -1.35 . . . . 0.0 109.95 179.434 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.975 HD23 ' CZ ' ' B' ' 14' ' ' PHE . 0.6 OUTLIER -131.96 -165.2 1.55 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.491 -0.756 . . . . 0.0 109.153 179.891 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.436 ' HA ' ' O ' ' B' ' 66' ' ' GLY . 0.0 OUTLIER -149.99 169.97 19.94 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.113 -0.992 . . . . 0.0 109.788 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.485 ' O ' ' HB2' ' B' ' 33' ' ' LYS . 6.4 mmtt -79.66 -25.74 41.22 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.275 -0.891 . . . . 0.0 109.254 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.96 -38.15 32.88 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.362 -0.836 . . . . 0.0 109.519 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.499 ' O ' ' HG2' ' B' ' 34' ' ' GLU . 10.6 tt0 -83.75 -19.97 34.2 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 179.335 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.522 ' O ' HG13 ' B' ' 36' ' ' ILE . 24.7 tp -81.08 -38.02 28.01 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 178.589 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.642 ' HB2' HD22 ' B' ' 60' ' ' LEU . 3.1 tttt -64.21 -34.19 77.53 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 179.5 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.55 ' HG3' ' N ' ' B' ' 35' ' ' LEU . 8.4 pt-20 -80.35 -42.32 23.13 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 179.561 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.98 HD21 ' CE1' ' B' ' 17' ' ' TYR . 0.1 OUTLIER -45.05 -50.78 10.67 Favored 'General case' 0 C--N 1.295 -1.792 0 CA-C-O 121.432 0.634 . . . . 0.0 109.303 179.603 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 1.124 ' CG2' HG21 ' B' ' 80' ' ' VAL . 0.2 OUTLIER -78.88 -49.77 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.308 -0.87 . . . . 0.0 109.961 -179.764 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.557 ' O ' ' CB ' ' B' ' 41' ' ' SER . 15.7 t-20 -72.65 -68.39 0.48 Allowed 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.317 -0.865 . . . . 0.0 109.901 -179.167 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.523 ' HB3' ' O ' ' B' ' 34' ' ' GLU . 13.5 t-20 -43.8 -23.13 0.07 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.81 -1.181 . . . . 0.0 110.447 -179.46 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.465 ' HB2' ' O ' ' B' ' 35' ' ' LEU . 18.3 mm-40 -109.2 -76.37 0.61 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.735 -1.228 . . . . 0.0 111.709 -178.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.579 ' N ' HD23 ' B' ' 40' ' ' LEU . 4.5 mt -66.89 -12.52 59.62 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.904 -1.122 . . . . 0.0 112.027 -177.606 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.557 ' CB ' ' O ' ' B' ' 37' ' ' ASN . 46.9 t -55.91 -40.38 72.98 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.652 -1.28 . . . . 0.0 109.881 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 1.3 m170 -61.1 -28.34 69.02 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.147 -0.971 . . . . 0.0 109.852 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' PHE . . . . . 0.565 ' O ' ' CG ' ' B' ' 43' ' ' PHE . 18.1 t80 -102.76 1.79 34.76 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.247 -0.908 . . . . 0.0 109.948 -179.457 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.68 HD21 HD11 ' B' ' 47' ' ' ILE . 1.2 tt -113.53 128.61 56.5 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.169 -0.957 . . . . 0.0 109.868 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -165.78 24.54 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.27 -0.894 . . . . 0.0 109.645 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.463 ' OE1' ' HA ' ' B' ' 46' ' ' GLU . 5.1 mm-40 -133.78 -53.96 0.87 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.208 -0.932 . . . . 0.0 109.016 179.729 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.68 HD11 HD21 ' B' ' 44' ' ' LEU . 5.9 mt 53.92 96.38 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 O-C-N 121.361 -0.837 . . . . 0.0 109.92 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.495 ' HG3' ' ND1' ' B' ' 85' ' ' HIS . 0.0 OUTLIER -95.26 -33.09 12.7 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.293 -0.879 . . . . 0.0 108.994 179.484 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.492 ' OE1' HG23 ' B' ' 52' ' ' VAL . 2.7 mm-40 -89.17 68.59 8.18 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.33 -0.856 . . . . 0.0 109.123 179.693 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 50' ' ' GLN . . . . . 0.521 ' O ' ' CB ' ' B' ' 54' ' ' ASP . 3.6 tp60 -43.87 -26.65 0.28 Allowed 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.31 -0.869 . . . . 0.0 109.626 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' B' ' 49' ' ' GLU . 4.6 tt0 -76.14 -44.92 36.08 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.283 -0.886 . . . . 0.0 109.73 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.492 HG23 ' OE1' ' B' ' 49' ' ' GLU . 96.9 t -61.22 -55.24 25.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.133 -0.979 . . . . 0.0 109.707 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.543 HG21 HG12 ' B' ' 47' ' ' ILE . 75.1 t -66.94 -29.17 45.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.302 -0.874 . . . . 0.0 109.721 -179.617 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 54' ' ' ASP . . . . . 0.532 ' O ' ' CG ' ' B' ' 58' ' ' GLU . 14.3 t70 -75.89 -21.8 56.77 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.22 -0.925 . . . . 0.0 109.137 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -81.14 -51.68 8.19 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.309 -0.869 . . . . 0.0 109.74 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.596 ' HA ' ' CE2' ' B' ' 76' ' ' PHE . 35.8 m -69.09 -47.16 76.55 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.228 0 O-C-N 121.046 -1.034 . . . . 0.0 108.704 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.587 ' N ' HG23 ' B' ' 56' ' ' VAL . 28.8 tpp -63.01 -19.93 64.83 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 58' ' ' GLU . . . . . 0.532 ' CG ' ' O ' ' B' ' 54' ' ' ASP . 2.7 mt-10 -72.45 -57.51 4.12 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.429 -0.794 . . . . 0.0 109.572 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 59' ' ' THR . . . . . 0.461 ' O ' ' HB3' ' B' ' 62' ' ' GLU . 0.2 OUTLIER -58.96 -38.68 79.63 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 179.468 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.642 HD22 ' HB2' ' B' ' 33' ' ' LYS . 12.0 mt -55.08 -55.34 32.17 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 179.313 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.9 -1.96 45.56 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.444 -0.785 . . . . 0.0 109.394 179.641 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.461 ' HB3' ' O ' ' B' ' 59' ' ' THR . 40.1 tt0 -68.36 -32.28 72.27 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.093 -1.005 . . . . 0.0 109.127 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -150.51 -48.7 0.13 Allowed 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.35 -0.844 . . . . 0.0 109.662 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' GLY . . . . . 0.453 ' C ' ' HB2' ' B' ' 29' ' ' LYS . . . 88.3 -19.33 36.13 Favored Glycine 0 N--CA 1.489 2.208 0 N-CA-C 109.489 -1.445 . . . . 0.0 109.489 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -121.53 83.54 2.1 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.29 -1.123 . . . . 0.0 109.36 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.436 ' O ' ' HA ' ' B' ' 28' ' ' LYS . . . -143.49 -177.44 18.43 Favored Glycine 0 N--CA 1.486 1.981 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -121.74 127.62 50.87 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.159 -1.2 . . . . 0.0 109.453 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 48.7 m -109.97 168.46 9.41 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.339 -0.851 . . . . 0.0 109.806 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -99.25 -170.19 1.88 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.258 -0.901 . . . . 0.0 109.085 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.61 ' HA ' ' CE2' ' B' ' 14' ' ' PHE . 3.4 p90 -84.57 -36.8 21.86 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.06 -1.025 . . . . 0.0 109.536 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.609 ' HG2' ' CD2' ' B' ' 70' ' ' PHE . 0.3 OUTLIER -81.16 -13.87 58.2 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.864 -1.148 . . . . 0.0 109.002 179.048 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.46 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 1.6 mm-40 -78.23 -48.41 15.84 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.303 -0.873 . . . . 0.0 108.746 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.585 ' CE1' ' HG ' ' B' ' 35' ' ' LEU . 0.3 OUTLIER -68.7 -29.92 68.46 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 179.212 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.778 ' CE ' HD13 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -74.2 -45.78 46.12 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.374 -0.829 . . . . 0.0 109.414 -179.759 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.52 ' O ' ' CG ' ' B' ' 79' ' ' MET . . . -72.25 -18.22 61.84 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.29 -0.881 . . . . 0.0 109.032 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.596 ' CE2' ' HA ' ' B' ' 56' ' ' VAL . 0.2 OUTLIER -80.09 -37.94 32.7 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.42 -0.8 . . . . 0.0 109.567 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.662 HG12 ' HE2' ' A' ' 7' ' ' MET . 98.7 t -70.22 -26.91 30.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.247 -0.908 . . . . 0.0 109.597 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 78' ' ' SER . . . . . 0.66 ' O ' HG23 ' B' ' 82' ' ' THR . 15.9 m -76.13 -26.02 55.94 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.207 -0.933 . . . . 0.0 109.631 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 79' ' ' MET . . . . . 0.52 ' CG ' ' O ' ' B' ' 75' ' ' ALA . 5.2 mtp -69.49 -50.59 43.85 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.29 -0.881 . . . . 0.0 109.166 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 1.124 HG21 ' CG2' ' B' ' 36' ' ' ILE . 11.9 m -70.57 -41.04 77.92 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.452 0 O-C-N 121.439 -0.788 . . . . 0.0 109.862 -179.64 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.523 ' OG1' ' CD1' ' B' ' 40' ' ' LEU . 22.3 m -67.41 -10.1 48.04 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.109 -0.994 . . . . 0.0 108.945 179.476 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.66 HG23 ' O ' ' B' ' 78' ' ' SER . 72.7 p -115.06 -11.77 12.05 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.333 -0.855 . . . . 0.0 109.371 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.494 ' O ' ' HA ' ' B' ' 47' ' ' ILE . . . -86.85 54.71 3.27 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.286 -0.884 . . . . 0.0 109.393 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 72.8 m -123.51 173.69 7.87 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.402 -0.811 . . . . 0.0 109.486 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 85' ' ' HIS . . . . . 0.495 ' ND1' ' HG3' ' B' ' 48' ' ' LYS . 2.4 t60 -99.15 148.66 23.86 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.302 -0.874 . . . . 0.0 109.046 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 86' ' ' GLU . . . . . 0.44 ' OE2' ' CD2' ' B' ' 85' ' ' HIS . 1.3 mt-10 51.6 66.38 1.21 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.279 -0.888 . . . . 0.0 109.465 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 1.3 t80 46.68 -159.13 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.32 -0.862 . . . . 0.0 109.782 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.491 ' CE1' ' HA ' ' B' ' 82' ' ' THR . 0.1 OUTLIER -145.39 102.9 3.77 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.468 -0.77 . . . . 0.0 109.174 -179.627 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -149.09 -80.97 0.12 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.161 -0.962 . . . . 0.0 109.778 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -148.62 61.23 1.08 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.261 -0.899 . . . . 0.0 109.499 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 . . . . . 0 N--CA 1.489 1.489 0 CA-C-O 117.982 -1.009 . . . . 0.0 109.389 179.983 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.461 ' O ' ' HB3' ' A' ' 5' ' ' LYS . 1.0 OUTLIER -102.87 -169.08 1.61 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.273 -0.892 . . . . 0.0 109.461 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.535 ' HB3' HG22 ' B' ' 13' ' ' VAL . 0.1 OUTLIER -80.24 -63.12 1.48 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.165 -0.959 . . . . 0.0 109.899 -179.844 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.616 HD23 ' HG ' ' B' ' 40' ' ' LEU . 6.2 tp -70.73 -50.83 32.03 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.324 -0.86 . . . . 0.0 109.829 -179.591 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.542 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 12.8 tm-20 -51.16 -36.97 43.73 Favored 'General case' 0 C--N 1.295 -1.776 0 O-C-N 121.283 -0.886 . . . . 0.0 110.313 -178.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.69 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.1 OUTLIER -81.07 -37.82 28.37 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.785 -1.197 . . . . 0.0 109.798 -179.73 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.58 ' HB1' ' HB3' ' B' ' 9' ' ' ALA . . . -80.42 -69.18 0.61 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.23 -0.918 . . . . 0.0 109.822 -179.682 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' MET . . . . . 1.023 ' HE2' HG12 ' B' ' 77' ' ' VAL . 1.2 tpt -42.52 -51.99 4.88 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.267 -0.896 . . . . 0.0 109.585 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.542 ' CG2' ' O ' ' A' ' 4' ' ' GLU . 17.9 t -66.05 -36.2 76.9 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 O-C-N 121.418 -0.801 . . . . 0.0 109.245 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.69 ' HB2' ' O ' ' A' ' 5' ' ' LYS . . . -52.64 -40.43 62.77 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.066 -1.021 . . . . 0.0 108.431 179.139 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.714 HD22 ' CE ' ' A' ' 74' ' ' MET . 0.8 OUTLIER -56.12 -45.61 79.47 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 178.858 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.574 HG23 ' CE1' ' B' ' 88' ' ' PHE . 1.2 mt -52.47 -36.24 21.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 178.791 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -58.65 -56.32 23.65 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.403 -0.811 . . . . 0.0 109.808 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.568 HG22 ' HB3' ' B' ' 2' ' ' GLU . 76.9 t -46.42 -32.11 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.169 -0.957 . . . . 0.0 109.636 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.982 ' CZ ' HD23 ' A' ' 27' ' ' LEU . 32.2 t80 -62.65 -47.69 82.6 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.118 -0.989 . . . . 0.0 109.696 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.445 ' O ' ' CG ' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -75.31 -2.76 29.77 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.189 -0.945 . . . . 0.0 109.262 -179.761 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.86 -32.05 12.29 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.237 -0.914 . . . . 0.0 109.143 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.48 ' CD2' ' CD2' ' A' ' 35' ' ' LEU . 3.4 m-30 -102.9 -57.1 2.1 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.375 -0.828 . . . . 0.0 109.243 179.691 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.511 ' CB ' ' CD2' ' A' ' 27' ' ' LEU . 2.8 t -42.76 -33.93 0.83 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.312 -0.868 . . . . 0.0 109.212 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.511 ' HA2' ' HG2' ' A' ' 24' ' ' LYS . . . -73.84 -112.62 0.07 OUTLIER Glycine 0 N--CA 1.487 2.053 0 N-CA-C 109.453 -1.459 . . . . 0.0 109.453 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 48.94 22.28 0.55 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.281 -1.129 . . . . 0.0 109.493 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -162.4 -71.41 0.05 Allowed 'General case' 0 C--N 1.306 -1.312 0 O-C-N 121.252 -0.905 . . . . 0.0 109.323 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 174.4 -43.31 0.14 Allowed Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.886 -1.286 . . . . 0.0 109.886 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -49.54 -64.93 0.66 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.265 -1.138 . . . . 0.0 109.632 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.511 ' HG2' ' HA2' ' A' ' 19' ' ' GLY . 40.0 mtpt 58.86 23.55 11.46 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.174 -0.954 . . . . 0.0 109.799 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -142.31 8.84 1.83 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.064 -1.022 . . . . 0.0 109.914 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.62 136.26 18.12 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.195 -0.941 . . . . 0.0 109.143 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.982 HD23 ' CZ ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -98.42 -167.89 1.57 Allowed 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.094 -1.003 . . . . 0.0 109.558 179.931 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -150.51 129.13 12.28 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 179.706 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.63 ' O ' HD22 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -43.5 -24.18 0.1 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.108 -0.995 . . . . 0.0 110.188 -179.393 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 28' ' ' LYS . 1.6 m -77.67 -45.29 25.36 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.897 -1.127 . . . . 0.0 109.841 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.507 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 1.1 tp10 -74.28 -14.98 60.98 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.079 -1.013 . . . . 0.0 108.72 179.671 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.517 ' O ' HG13 ' A' ' 36' ' ' ILE . 20.1 tp -81.54 -47.84 12.58 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 178.398 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.2 ttmt -50.82 -42.38 58.35 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 178.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.562 ' HG3' ' N ' ' A' ' 35' ' ' LEU . 5.6 pt-20 -74.65 -44.2 51.54 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.457 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.59 ' CD1' HD22 ' B' ' 3' ' ' LEU . 0.2 OUTLIER -43.63 -41.36 4.61 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 179.471 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.733 HD13 HG21 ' A' ' 80' ' ' VAL . 0.7 OUTLIER -80.47 -63.79 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 121.338 -0.851 . . . . 0.0 109.951 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.506 ' HA ' ' HB2' ' A' ' 41' ' ' SER . 38.3 t-20 -66.36 -61.87 1.78 Allowed 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.067 -1.021 . . . . 0.0 110.137 -179.188 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.496 ' HB3' ' O ' ' A' ' 34' ' ' GLU . 10.4 t30 -43.48 -44.52 5.97 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.306 -0.871 . . . . 0.0 110.321 -179.519 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.492 ' HG2' ' HB3' ' B' ' 3' ' ' LEU . 0.5 OUTLIER -92.43 -75.7 0.48 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.998 -1.064 . . . . 0.0 110.856 -179.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.578 ' HG ' HD23 ' B' ' 3' ' ' LEU . 54.5 mt -56.58 -95.19 0.0 OUTLIER 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.088 -1.007 . . . . 0.0 110.036 -178.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.506 ' HB2' ' HA ' ' A' ' 37' ' ' ASN . 39.4 t 42.2 74.14 0.12 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.19 -0.944 . . . . 0.0 109.721 -179.734 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -149.04 -46.31 0.14 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.024 -1.048 . . . . 0.0 109.916 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -98.11 90.89 5.03 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.128 -0.983 . . . . 0.0 109.218 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.64 69.76 1.29 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.317 -0.865 . . . . 0.0 109.472 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -130.09 -51.24 1.12 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.174 -0.953 . . . . 0.0 109.581 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 51.5 mp0 -119.3 68.05 0.8 Allowed 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.395 -0.815 . . . . 0.0 109.478 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.6 mt -64.56 127.79 25.94 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.22 -0.925 . . . . 0.0 109.685 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -98.58 -37.45 9.53 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.208 -0.932 . . . . 0.0 109.282 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.734 ' OE1' HG23 ' A' ' 52' ' ' VAL . 15.1 mm-40 -94.78 61.86 2.64 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.234 -0.916 . . . . 0.0 109.344 179.677 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.475 ' O ' ' HB2' ' A' ' 54' ' ' ASP . 14.7 tt0 -53.63 -25.73 19.02 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.182 -0.949 . . . . 0.0 109.404 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.464 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 0.7 OUTLIER -74.9 -35.77 62.23 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.287 -0.883 . . . . 0.0 109.707 -179.869 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.734 HG23 ' OE1' ' A' ' 49' ' ' GLU . 54.6 t -65.55 -56.35 15.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.222 -0.924 . . . . 0.0 109.729 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.406 HG23 ' CB ' ' A' ' 83' ' ' ALA . 76.9 t -67.44 -27.98 40.55 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.317 -0.864 . . . . 0.0 109.757 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.521 ' O ' ' CG ' ' A' ' 58' ' ' GLU . 29.4 m-20 -76.79 -24.14 52.87 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.122 -0.986 . . . . 0.0 109.343 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' A' ' 51' ' ' GLU . 2.1 tmtt? -80.53 -48.29 12.97 Favored 'General case' 0 C--N 1.306 -1.299 0 O-C-N 121.262 -0.899 . . . . 0.0 109.775 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.639 HG21 ' CG1' ' A' ' 80' ' ' VAL . 21.3 m -71.45 -41.45 73.02 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 O-C-N 121.055 -1.028 . . . . 0.0 109.351 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.463 ' N ' HG23 ' A' ' 56' ' ' VAL . 60.5 tpp -68.87 -24.37 64.33 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.518 -0.739 . . . . 0.0 109.089 179.611 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.521 ' CG ' ' O ' ' A' ' 54' ' ' ASP . 15.8 mt-10 -77.24 -53.57 7.56 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.255 -0.903 . . . . 0.0 109.644 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.481 ' HA ' ' HB2' ' A' ' 62' ' ' GLU . 48.9 m -63.04 -31.62 72.8 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.376 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.63 HD22 ' O ' ' A' ' 29' ' ' LYS . 9.7 mt -63.82 -54.01 41.83 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.505 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -80.59 -2.52 46.67 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.387 -0.821 . . . . 0.0 109.628 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.481 ' HB2' ' HA ' ' A' ' 59' ' ' THR . 3.5 tt0 -72.57 -45.59 58.49 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.182 -0.949 . . . . 0.0 109.794 -179.673 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.532 ' HB3' ' CE ' ' A' ' 29' ' ' LYS . 58.1 t0 -113.67 -56.08 2.44 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.335 -0.853 . . . . 0.0 109.616 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.76 -45.1 3.45 Favored Glycine 0 N--CA 1.489 2.22 0 N-CA-C 109.434 -1.466 . . . . 0.0 109.434 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -108.17 72.65 0.85 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.315 -1.109 . . . . 0.0 109.33 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -134.01 162.86 24.54 Favored Glycine 0 N--CA 1.486 1.992 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -93.43 133.13 37.02 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.226 -1.161 . . . . 0.0 109.7 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.451 ' SG ' ' OE2' ' A' ' 72' ' ' GLU . 74.1 m -119.9 161.39 20.94 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.327 -0.858 . . . . 0.0 109.005 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -98.83 -177.52 3.67 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.149 -0.97 . . . . 0.0 109.084 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.51 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 0.9 OUTLIER -83.64 -28.71 28.23 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.325 -0.86 . . . . 0.0 109.331 179.75 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.531 ' HG3' ' N ' ' A' ' 72' ' ' GLU . 0.9 OUTLIER -81.35 -27.52 34.88 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.302 -0.874 . . . . 0.0 110.125 -179.778 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.574 ' HG3' ' N ' ' A' ' 73' ' ' PHE . 3.2 pt-20 -73.83 -47.19 40.23 Favored 'General case' 0 C--N 1.308 -1.225 0 O-C-N 120.859 -1.15 . . . . 0.0 108.749 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.732 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -65.41 -26.96 68.21 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 107.915 -1.142 . . . . 0.0 107.915 178.777 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.714 ' CE ' HD22 ' A' ' 10' ' ' LEU . 0.3 OUTLIER -66.6 -52.89 40.29 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.599 -0.688 . . . . 0.0 109.706 -179.757 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.485 ' O ' ' HG3' ' A' ' 79' ' ' MET . . . -71.07 -20.7 62.33 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.23 -0.919 . . . . 0.0 109.193 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.714 ' O ' HG22 ' A' ' 80' ' ' VAL . 1.5 m-85 -76.57 -30.79 57.19 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.242 -0.911 . . . . 0.0 109.309 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 1.074 HG12 ' HE2' ' B' ' 7' ' ' MET . 87.3 t -74.76 -26.87 19.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.147 -0.971 . . . . 0.0 109.501 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.87 -48.85 12.81 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.217 -0.927 . . . . 0.0 110.055 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.485 ' HG3' ' O ' ' A' ' 75' ' ' ALA . 0.4 OUTLIER -52.74 -45.98 67.26 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.205 -0.935 . . . . 0.0 110.38 -179.473 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.733 HG21 HD13 ' A' ' 36' ' ' ILE . 7.3 m -71.2 -40.49 74.56 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.465 0 O-C-N 121.127 -0.983 . . . . 0.0 110.629 -179.152 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.461 HG22 HD11 ' B' ' 11' ' ' ILE . 4.2 m -74.35 -1.99 23.32 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.908 -1.12 . . . . 0.0 109.487 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.411 HG21 ' HG3' ' B' ' 74' ' ' MET . 73.4 p -124.78 -8.78 7.29 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.276 -0.89 . . . . 0.0 109.528 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.596 ' HB2' HG11 ' A' ' 52' ' ' VAL . . . -82.3 -26.47 33.06 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.196 -0.94 . . . . 0.0 109.439 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.475 ' O ' ' O ' ' A' ' 83' ' ' ALA . 59.0 m -56.38 -160.61 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.292 -0.88 . . . . 0.0 109.585 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.42 ' O ' ' O ' ' A' ' 84' ' ' CYS . 0.3 OUTLIER -63.34 -136.85 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.232 -0.918 . . . . 0.0 108.991 179.795 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.53 ' O ' ' CB ' ' A' ' 87' ' ' PHE . 48.6 mt-10 -75.62 -94.66 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.803 -1.186 . . . . 0.0 109.493 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.685 ' CZ ' ' CE2' ' A' ' 88' ' ' PHE . 0.0 OUTLIER 162.82 -104.59 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.39 -0.819 . . . . 0.0 109.39 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.685 ' CE2' ' CZ ' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -46.3 92.12 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.141 -0.974 . . . . 0.0 108.947 -179.893 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.558 ' N ' ' O ' ' A' ' 87' ' ' PHE . 10.0 tp10 -133.03 3.06 3.68 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.245 -0.91 . . . . 0.0 110.077 -178.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -49.97 102.76 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.256 -0.903 . . . . 0.0 109.515 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 117.945 -1.026 . . . . 0.0 109.515 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.489 1.494 0 CA-C-O 121.29 0.566 . . . . 0.0 109.537 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 1' ' ' SER . . . . . 0.454 ' O ' ' HB3' ' B' ' 5' ' ' LYS . 1.0 OUTLIER -102.9 -169.07 1.6 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.12 -0.987 . . . . 0.0 109.446 179.886 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.568 ' HB3' HG22 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -80.31 -63.23 1.46 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.256 -0.903 . . . . 0.0 109.862 -179.781 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.59 HD22 ' CD1' ' A' ' 35' ' ' LEU . 6.2 tp -70.72 -50.76 32.84 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.403 -0.811 . . . . 0.0 109.787 -179.583 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.539 ' O ' ' CG2' ' B' ' 8' ' ' VAL . 12.8 tm-20 -51.17 -36.9 43.39 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 121.326 -0.859 . . . . 0.0 110.404 -178.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.685 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 0.1 OUTLIER -81.17 -37.94 27.93 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.765 -1.209 . . . . 0.0 109.707 -179.758 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.582 ' HB1' ' HB3' ' A' ' 9' ' ' ALA . . . -80.36 -69.25 0.61 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.28 -0.888 . . . . 0.0 109.848 -179.661 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 7' ' ' MET . . . . . 1.074 ' HE2' HG12 ' A' ' 77' ' ' VAL . 1.1 tpt -42.47 -51.93 4.85 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.316 -0.865 . . . . 0.0 109.542 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.539 ' CG2' ' O ' ' B' ' 4' ' ' GLU . 18.1 t -66.07 -36.21 76.9 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.601 0 O-C-N 121.37 -0.832 . . . . 0.0 109.314 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.685 ' HB2' ' O ' ' B' ' 5' ' ' LYS . . . -52.61 -40.51 62.79 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.978 -1.076 . . . . 0.0 108.374 179.071 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.718 HD22 ' CE ' ' B' ' 74' ' ' MET . 0.8 OUTLIER -56.01 -45.72 78.99 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 178.9 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.548 HG23 ' CE1' ' A' ' 88' ' ' PHE . 1.2 mt -52.51 -36.19 21.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 178.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -58.56 -56.35 23.32 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.407 -0.808 . . . . 0.0 109.818 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.535 HG22 ' HB3' ' A' ' 2' ' ' GLU . 76.4 t -46.41 -32.17 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.143 -0.973 . . . . 0.0 109.68 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.99 ' CZ ' HD23 ' B' ' 27' ' ' LEU . 32.1 t80 -62.65 -47.58 83.1 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.227 -0.921 . . . . 0.0 109.718 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 15' ' ' HIS . . . . . 0.433 ' O ' ' CG ' ' B' ' 15' ' ' HIS . 0.0 OUTLIER -75.38 -2.72 29.78 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.172 -0.955 . . . . 0.0 109.271 -179.779 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.92 -32.15 12.2 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.168 -0.958 . . . . 0.0 109.141 179.708 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.477 ' CD2' ' CD2' ' B' ' 35' ' ' LEU . 3.4 m-30 -102.92 -57.13 2.1 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.39 -0.819 . . . . 0.0 109.166 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.519 ' CB ' ' CD2' ' B' ' 27' ' ' LEU . 2.8 t -42.77 -34.03 0.85 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.323 -0.86 . . . . 0.0 109.098 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 19' ' ' GLY . . . . . 0.515 ' HA2' ' HG2' ' B' ' 24' ' ' LYS . . . -73.78 -112.59 0.07 OUTLIER Glycine 0 N--CA 1.489 2.187 0 N-CA-C 109.529 -1.428 . . . . 0.0 109.529 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 48.92 22.23 0.54 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.249 -1.148 . . . . 0.0 109.501 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -162.32 -71.45 0.05 Allowed 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.275 -0.891 . . . . 0.0 109.35 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 174.45 -43.34 0.14 Allowed Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.849 -1.3 . . . . 0.0 109.849 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -49.53 -64.99 0.64 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.29 -1.124 . . . . 0.0 109.647 -179.721 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.515 ' HG2' ' HA2' ' B' ' 19' ' ' GLY . 39.9 mtpt 58.85 23.71 11.61 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.222 -0.924 . . . . 0.0 109.816 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -142.37 8.83 1.81 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.081 -1.012 . . . . 0.0 109.869 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.55 136.31 18.24 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.199 -0.938 . . . . 0.0 109.165 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.99 HD23 ' CZ ' ' B' ' 14' ' ' PHE . 0.3 OUTLIER -98.63 -167.87 1.56 Allowed 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.209 -0.932 . . . . 0.0 109.573 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' B' ' 30' ' ' SER . 0.0 OUTLIER -150.43 129.17 12.37 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 179.767 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.628 ' O ' HD22 ' B' ' 60' ' ' LEU . 0.0 OUTLIER -43.52 -24.15 0.1 Allowed 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.077 -1.015 . . . . 0.0 110.166 -179.348 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.433 ' N ' ' O ' ' B' ' 28' ' ' LYS . 1.6 m -77.74 -45.19 25.42 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.859 -1.15 . . . . 0.0 109.894 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.509 ' O ' ' HG2' ' B' ' 34' ' ' GLU . 1.1 tp10 -74.36 -14.97 60.95 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.089 -1.007 . . . . 0.0 108.701 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.524 ' O ' HG13 ' B' ' 36' ' ' ILE . 20.3 tp -81.51 -47.94 12.48 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 107.334 -1.358 . . . . 0.0 107.334 178.373 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 18.2 ttmt -50.82 -42.37 58.3 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 178.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.555 ' HG3' ' N ' ' B' ' 35' ' ' LEU . 5.5 pt-20 -74.71 -44.12 51.61 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 179.495 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.561 HD11 HD13 ' A' ' 3' ' ' LEU . 0.2 OUTLIER -43.81 -41.2 4.87 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 179.525 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.717 HD13 HG21 ' B' ' 80' ' ' VAL . 0.7 OUTLIER -80.52 -63.96 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.285 -0.884 . . . . 0.0 109.888 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.503 ' HA ' ' HB2' ' B' ' 41' ' ' SER . 38.2 t-20 -66.26 -61.87 1.78 Allowed 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.106 -0.996 . . . . 0.0 110.072 -179.181 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.501 ' HB3' ' O ' ' B' ' 34' ' ' GLU . 10.4 t30 -43.61 -44.43 6.27 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.221 -0.924 . . . . 0.0 110.298 -179.41 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.461 ' HG2' ' HB3' ' A' ' 3' ' ' LEU . 0.5 OUTLIER -92.45 -75.79 0.48 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.982 -1.074 . . . . 0.0 110.814 -179.041 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.616 ' HG ' HD23 ' A' ' 3' ' ' LEU . 54.4 mt -56.61 -95.17 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.357 0 O-C-N 121.131 -0.981 . . . . 0.0 110.069 -178.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.503 ' HB2' ' HA ' ' B' ' 37' ' ' ASN . 39.1 t 42.31 74.1 0.12 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.196 -0.94 . . . . 0.0 109.667 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -148.98 -46.35 0.14 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.093 -1.004 . . . . 0.0 109.867 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -98.19 91.12 5.1 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.134 -0.979 . . . . 0.0 109.235 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.78 69.68 1.29 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.319 -0.863 . . . . 0.0 109.46 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -130.05 -51.31 1.12 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.225 -0.922 . . . . 0.0 109.584 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 51.4 mp0 -119.29 68.07 0.8 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.418 -0.801 . . . . 0.0 109.433 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 3.6 mt -64.62 127.9 26.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.2 -0.937 . . . . 0.0 109.55 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -98.64 -37.51 9.48 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.236 -0.915 . . . . 0.0 109.231 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.744 ' OE1' HG23 ' B' ' 52' ' ' VAL . 15.0 mm-40 -94.82 61.93 2.63 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.28 -0.887 . . . . 0.0 109.292 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 50' ' ' GLN . . . . . 0.461 ' O ' ' HB2' ' B' ' 54' ' ' ASP . 14.8 tt0 -53.71 -25.59 19.14 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.246 -0.909 . . . . 0.0 109.402 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.478 ' O ' ' HB2' ' B' ' 55' ' ' LYS . 0.7 OUTLIER -74.97 -35.75 62.08 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.31 -0.869 . . . . 0.0 109.719 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.744 HG23 ' OE1' ' B' ' 49' ' ' GLU . 54.5 t -65.45 -56.46 15.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.094 -1.004 . . . . 0.0 109.713 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 77.4 t -67.59 -27.83 39.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.253 -0.904 . . . . 0.0 109.664 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' ASP . . . . . 0.525 ' O ' ' CG ' ' B' ' 58' ' ' GLU . 29.6 m-20 -76.93 -24.14 52.42 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.285 -0.884 . . . . 0.0 109.163 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.478 ' HB2' ' O ' ' B' ' 51' ' ' GLU . 2.1 tmtt? -80.56 -48.34 12.87 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.239 -0.913 . . . . 0.0 109.739 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.653 HG21 ' CG1' ' B' ' 80' ' ' VAL . 21.4 m -71.42 -41.33 73.34 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 O-C-N 121.025 -1.047 . . . . 0.0 109.414 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.465 ' N ' HG23 ' B' ' 56' ' ' VAL . 60.5 tpp -69.1 -24.32 64.12 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.418 -0.801 . . . . 0.0 109.008 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 58' ' ' GLU . . . . . 0.525 ' CG ' ' O ' ' B' ' 54' ' ' ASP . 15.7 mt-10 -77.24 -53.54 7.59 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.297 -0.877 . . . . 0.0 109.597 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 59' ' ' THR . . . . . 0.485 ' HA ' ' HB2' ' B' ' 62' ' ' GLU . 49.5 m -63.11 -31.56 72.73 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 179.412 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.628 HD22 ' O ' ' B' ' 29' ' ' LYS . 9.6 mt -63.91 -53.92 42.87 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 179.545 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -80.56 -2.59 46.89 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.387 -0.821 . . . . 0.0 109.685 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.485 ' HB2' ' HA ' ' B' ' 59' ' ' THR . 3.5 tt0 -72.52 -45.55 58.83 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.202 -0.937 . . . . 0.0 109.744 -179.638 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.523 ' HB3' ' CE ' ' B' ' 29' ' ' LYS . 58.3 t0 -113.75 -56.04 2.44 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.244 -0.91 . . . . 0.0 109.65 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.86 -45.33 3.5 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -108.07 72.62 0.85 Allowed 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.202 -1.175 . . . . 0.0 109.366 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -133.95 162.81 24.52 Favored Glycine 0 N--CA 1.486 2.008 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -93.48 133.17 37.04 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.181 -1.188 . . . . 0.0 109.728 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.455 ' SG ' ' OE2' ' B' ' 72' ' ' GLU . 73.9 m -119.83 161.45 20.78 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.337 -0.852 . . . . 0.0 108.971 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -98.86 -177.55 3.68 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.207 -0.933 . . . . 0.0 109.139 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.512 ' HA ' ' CE2' ' B' ' 14' ' ' PHE . 0.9 OUTLIER -83.57 -28.59 28.44 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.405 -0.809 . . . . 0.0 109.316 179.771 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.532 ' HG3' ' N ' ' B' ' 72' ' ' GLU . 0.9 OUTLIER -81.42 -27.56 34.67 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.309 -0.87 . . . . 0.0 110.166 -179.781 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.587 ' HG3' ' N ' ' B' ' 73' ' ' PHE . 3.2 pt-20 -74.01 -46.96 40.32 Favored 'General case' 0 C--N 1.307 -1.25 0 O-C-N 120.909 -1.119 . . . . 0.0 108.727 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.734 ' O ' HG23 ' B' ' 77' ' ' VAL . 0.0 OUTLIER -65.47 -27.12 68.27 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 178.724 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.718 ' CE ' HD22 ' B' ' 10' ' ' LEU . 0.3 OUTLIER -66.53 -52.94 40.4 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.587 -0.696 . . . . 0.0 109.687 -179.749 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.472 ' O ' ' HG3' ' B' ' 79' ' ' MET . . . -71.11 -20.61 62.31 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.205 -0.934 . . . . 0.0 109.229 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.722 ' O ' HG22 ' B' ' 80' ' ' VAL . 1.5 m-85 -76.61 -30.81 57.08 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.314 -0.866 . . . . 0.0 109.259 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 1.023 HG12 ' HE2' ' A' ' 7' ' ' MET . 87.8 t -74.77 -26.82 19.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.274 -0.891 . . . . 0.0 109.484 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.96 -48.87 12.7 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.215 -0.928 . . . . 0.0 110.087 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 79' ' ' MET . . . . . 0.472 ' HG3' ' O ' ' B' ' 75' ' ' ALA . 0.4 OUTLIER -52.75 -46.05 67.31 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.211 -0.931 . . . . 0.0 110.282 -179.469 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.722 HG22 ' O ' ' B' ' 76' ' ' PHE . 7.4 m -71.11 -40.6 75.48 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 O-C-N 121.131 -0.981 . . . . 0.0 110.632 -179.137 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.415 HG22 HD11 ' A' ' 11' ' ' ILE . 4.2 m -74.29 -2.02 23.26 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.914 -1.116 . . . . 0.0 109.49 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 72.9 p -124.79 -8.68 7.29 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.247 -0.908 . . . . 0.0 109.619 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.592 ' HB2' HG11 ' B' ' 52' ' ' VAL . . . -82.39 -26.43 32.85 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.154 -0.966 . . . . 0.0 109.448 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 84' ' ' CYS . . . . . 0.468 ' O ' ' O ' ' B' ' 83' ' ' ALA . 59.1 m -56.42 -160.68 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.309 -0.87 . . . . 0.0 109.548 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 85' ' ' HIS . . . . . 0.43 ' O ' ' O ' ' B' ' 84' ' ' CYS . 0.3 OUTLIER -63.29 -136.74 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.301 -0.874 . . . . 0.0 109.05 179.899 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 86' ' ' GLU . . . . . 0.532 ' O ' ' CB ' ' B' ' 87' ' ' PHE . 48.6 mt-10 -75.73 -94.7 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.805 -1.184 . . . . 0.0 109.437 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 87' ' ' PHE . . . . . 0.681 ' CZ ' ' CE2' ' B' ' 88' ' ' PHE . 0.0 OUTLIER 162.86 -104.63 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.279 -0.888 . . . . 0.0 109.466 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.681 ' CE2' ' CZ ' ' B' ' 87' ' ' PHE . 0.0 OUTLIER -46.19 92.07 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.143 -0.973 . . . . 0.0 108.911 -179.905 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.56 ' N ' ' O ' ' B' ' 87' ' ' PHE . 10.0 tp10 -133.05 3.16 3.69 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.235 -0.916 . . . . 0.0 110.058 -178.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -49.97 102.76 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.146 -0.971 . . . . 0.0 109.399 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 117.912 -1.042 . . . . 0.0 109.502 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 0' ' ' MET . . . . . 0.428 ' HG2' ' O ' ' A' ' 0' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.448 ' CB ' ' OE1' ' B' ' 39' ' ' GLU . 33.1 p -128.68 176.44 7.8 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.148 -0.97 . . . . 0.0 109.587 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.749 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 10.4 mm-40 -73.0 -37.4 66.99 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.425 -0.797 . . . . 0.0 109.567 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.774 HD22 HD12 ' B' ' 35' ' ' LEU . 4.7 tp -68.84 -41.64 78.23 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.154 -0.966 . . . . 0.0 110.281 -179.581 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.639 ' O ' HG23 ' A' ' 8' ' ' VAL . 1.6 tm-20 -71.99 -62.67 1.34 Allowed 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.081 -1.012 . . . . 0.0 110.601 -178.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.798 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 10.9 ptmt -60.67 -37.13 80.55 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.033 -1.042 . . . . 0.0 110.698 -178.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.749 ' HB3' ' O ' ' A' ' 2' ' ' GLU . . . -80.05 -60.4 2.35 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.904 -1.123 . . . . 0.0 110.275 -179.186 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.689 ' HG3' HG21 ' B' ' 81' ' ' THR . 10.6 tpt -51.74 -56.36 14.26 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.07 -1.019 . . . . 0.0 109.188 -179.704 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 4' ' ' GLU . 8.3 t -60.02 -27.1 37.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.371 -0.831 . . . . 0.0 109.029 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.798 ' HB2' ' O ' ' A' ' 5' ' ' LYS . . . -64.01 -43.94 94.12 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.456 -0.777 . . . . 0.0 109.346 179.61 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.8 HD22 ' HE2' ' A' ' 74' ' ' MET . 0.1 OUTLIER -56.69 -35.13 68.12 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.331 -0.856 . . . . 0.0 108.953 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.714 HG23 ' CE2' ' B' ' 88' ' ' PHE . 1.5 mp -65.1 -33.22 62.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.315 -0.866 . . . . 0.0 108.957 179.493 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -67.73 -54.78 16.62 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.361 -0.837 . . . . 0.0 109.428 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.615 HG12 ' N ' ' A' ' 14' ' ' PHE . 0.6 OUTLIER -53.36 -55.08 14.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.282 -0.886 . . . . 0.0 109.06 179.837 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.687 ' CE1' HD12 ' A' ' 27' ' ' LEU . 93.9 t80 -43.73 -34.06 1.42 Allowed 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.62 -0.675 . . . . 0.0 110.094 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.518 ' O ' ' N ' ' A' ' 19' ' ' GLY . 1.3 t-80 -81.15 -36.4 30.27 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.052 -1.03 . . . . 0.0 109.89 -179.47 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.87 -49.87 75.74 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.102 -0.999 . . . . 0.0 109.854 -179.721 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.623 ' CG ' HD21 ' A' ' 35' ' ' LEU . 57.6 m-85 -63.35 -40.58 97.66 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.176 -0.952 . . . . 0.0 109.726 -179.627 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.8 t -95.47 11.15 33.94 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.128 -0.983 . . . . 0.0 109.456 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 15' ' ' HIS . . . -93.61 -46.04 3.3 Favored Glycine 0 N--CA 1.489 2.169 0 N-CA-C 109.667 -1.373 . . . . 0.0 109.667 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.503 ' HG3' ' N ' ' A' ' 21' ' ' GLU . 16.7 ptm180 -51.42 -43.02 61.89 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.353 -1.087 . . . . 0.0 109.454 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.503 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -140.3 -163.1 1.45 Allowed 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.342 -0.849 . . . . 0.0 109.532 -179.904 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.54 -147.31 40.24 Favored Glycine 0 N--CA 1.488 2.123 0 N-CA-C 109.409 -1.477 . . . . 0.0 109.409 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.73 18.41 12.64 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.327 -1.102 . . . . 0.0 109.308 179.757 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.457 ' HG3' ' HA2' ' A' ' 19' ' ' GLY . 0.3 OUTLIER 61.71 12.67 4.78 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.349 -0.844 . . . . 0.0 109.729 179.911 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.681 ' CD2' ' O ' ' A' ' 25' ' ' HIS . 70.4 t60 -142.32 9.86 1.87 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.169 -0.957 . . . . 0.0 109.635 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.2 pttp -149.04 146.19 27.63 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.036 -1.04 . . . . 0.0 109.741 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.687 HD12 ' CE1' ' A' ' 14' ' ' PHE . 4.0 mt -117.72 -162.4 0.87 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.342 -0.849 . . . . 0.0 109.128 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -137.33 139.95 41.18 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.2 -0.938 . . . . 0.0 109.354 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.531 ' O ' ' CD2' ' A' ' 60' ' ' LEU . 0.8 OUTLIER -57.44 -23.14 47.86 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.159 -0.963 . . . . 0.0 109.757 -179.709 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.87 -38.04 33.58 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.984 -1.073 . . . . 0.0 109.52 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.472 ' O ' ' HB2' ' A' ' 35' ' ' LEU . 2.6 tt0 -75.89 -20.35 58.12 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.126 -0.984 . . . . 0.0 108.783 179.638 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.498 ' O ' HG13 ' A' ' 36' ' ' ILE . 29.0 tp -80.26 -41.83 24.3 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 178.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.819 ' HG3' HD13 ' A' ' 60' ' ' LEU . 15.2 tttt -57.69 -38.3 74.93 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 178.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.565 ' HG3' ' N ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -80.46 -31.82 37.33 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 179.648 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.774 HD12 HD22 ' B' ' 3' ' ' LEU . 0.0 OUTLIER -56.78 -43.18 80.62 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.771 -0.581 . . . . 0.0 109.877 -179.921 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.863 HG21 HG21 ' A' ' 80' ' ' VAL . 0.4 OUTLIER -80.14 -50.64 17.28 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.122 -0.986 . . . . 0.0 110.012 -179.271 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.484 ' O ' ' HB2' ' A' ' 41' ' ' SER . 18.0 t30 -69.49 -3.38 14.36 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.259 -0.901 . . . . 0.0 110.465 -179.123 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.5 ' HB2' ' O ' ' A' ' 34' ' ' GLU . 66.3 t30 -106.61 -67.3 0.95 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.957 -1.09 . . . . 0.0 109.743 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.503 ' HB3' ' HB3' ' B' ' 3' ' ' LEU . 5.7 mm-40 -58.62 -65.6 0.63 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.18 -0.95 . . . . 0.0 109.679 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 40' ' ' LEU . 28.8 mt -66.92 -93.39 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.187 -0.945 . . . . 0.0 109.622 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.484 ' HB2' ' O ' ' A' ' 37' ' ' ASN . 36.7 t 44.44 39.74 3.37 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.957 -1.089 . . . . 0.0 109.874 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -136.48 16.17 3.16 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.19 -0.944 . . . . 0.0 109.419 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -138.48 39.43 2.24 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.341 -0.849 . . . . 0.0 109.358 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.13 60.28 0.77 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.207 -0.933 . . . . 0.0 109.707 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -87.25 -72.66 0.5 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.227 -0.921 . . . . 0.0 109.45 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.477 ' HG2' ' CE1' ' A' ' 85' ' ' HIS . 0.2 OUTLIER -126.58 -33.0 2.58 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.257 -0.902 . . . . 0.0 108.974 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.475 ' HB ' ' O ' ' A' ' 46' ' ' GLU . 14.4 mt 64.99 125.07 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.313 -0.867 . . . . 0.0 109.544 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.35 -28.06 13.47 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.258 -0.901 . . . . 0.0 109.245 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.724 ' OE1' HG23 ' A' ' 52' ' ' VAL . 5.7 mm-40 -99.06 68.65 1.7 Allowed 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.31 -0.869 . . . . 0.0 109.362 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.543 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 10.8 tt0 -56.84 -23.63 45.39 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.255 -0.903 . . . . 0.0 109.331 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.453 ' O ' ' CB ' ' A' ' 55' ' ' LYS . 2.5 tt0 -80.11 -32.28 39.1 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.22 -0.925 . . . . 0.0 109.947 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.732 ' O ' HG22 ' A' ' 56' ' ' VAL . 61.4 t -70.87 -47.79 60.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.067 -1.021 . . . . 0.0 109.617 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.53 HG22 HG12 ' A' ' 80' ' ' VAL . 63.4 t -76.52 -31.3 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.209 -0.932 . . . . 0.0 109.16 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.543 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 27.6 t70 -79.5 -17.69 53.58 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 179.185 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.453 ' CB ' ' O ' ' A' ' 51' ' ' GLU . 0.9 OUTLIER -80.2 -49.25 11.91 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.372 -0.83 . . . . 0.0 109.073 179.637 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.732 HG22 ' O ' ' A' ' 52' ' ' VAL . 2.4 m -74.58 -35.07 36.97 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 O-C-N 121.084 -1.01 . . . . 0.0 108.592 179.43 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.422 ' HB2' ' O ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -72.12 -22.52 61.32 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 179.244 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.457 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 10.2 mt-10 -75.31 -55.12 6.02 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.451 -0.781 . . . . 0.0 109.165 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.1 m -60.75 -37.33 81.45 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 107.729 -1.212 . . . . 0.0 107.729 179.105 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.819 HD13 ' HG3' ' A' ' 33' ' ' LYS . 14.3 mt -55.69 -57.0 13.8 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -80.4 -1.21 40.39 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.571 -0.706 . . . . 0.0 109.677 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.9 -31.85 68.62 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.105 -0.997 . . . . 0.0 109.585 -179.694 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -132.55 -59.87 0.9 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.226 -0.921 . . . . 0.0 109.686 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 77.9 -5.46 53.27 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.866 -1.294 . . . . 0.0 109.866 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -132.5 37.98 3.47 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.044 -1.268 . . . . 0.0 109.548 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -120.78 -173.31 14.79 Favored Glycine 0 N--CA 1.486 2.024 0 N-CA-C 109.612 -1.395 . . . . 0.0 109.612 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -116.58 158.49 23.6 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.25 -1.147 . . . . 0.0 109.487 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 56.6 m -127.97 179.61 5.48 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.339 -0.851 . . . . 0.0 109.108 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -117.9 174.43 6.2 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.136 -0.978 . . . . 0.0 109.344 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.599 ' CE2' ' HG2' ' A' ' 71' ' ' GLN . 44.8 p90 -74.11 -30.62 62.42 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.326 -0.859 . . . . 0.0 109.14 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.599 ' HG2' ' CE2' ' A' ' 70' ' ' PHE . 3.1 mm-40 -79.28 -22.97 43.92 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.387 -0.821 . . . . 0.0 108.901 179.341 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.423 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -78.54 -50.34 11.74 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.396 -0.815 . . . . 0.0 109.206 179.85 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.623 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -66.05 -24.21 66.69 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.387 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.8 ' HE2' HD22 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -75.32 -52.22 11.34 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.536 -0.727 . . . . 0.0 109.365 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.489 ' O ' ' HG3' ' A' ' 79' ' ' MET . . . -70.8 -16.21 62.72 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.177 -0.952 . . . . 0.0 108.731 179.631 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.706 ' O ' HG22 ' A' ' 80' ' ' VAL . 1.2 m-85 -80.59 -42.85 21.56 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.45 -0.781 . . . . 0.0 109.543 179.674 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 73' ' ' PHE . 97.1 t -67.49 -29.14 44.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.271 -0.893 . . . . 0.0 109.741 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.442 ' O ' ' OG1' ' A' ' 82' ' ' THR . 5.9 m -76.19 -39.09 55.6 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.119 -0.988 . . . . 0.0 109.783 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.535 ' HB3' ' CG1' ' A' ' 52' ' ' VAL . 0.1 OUTLIER -60.98 -50.73 72.2 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.277 -0.889 . . . . 0.0 110.036 -179.708 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.863 HG21 HG21 ' A' ' 36' ' ' ILE . 2.5 m -69.36 -39.32 78.73 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.394 0 O-C-N 121.149 -0.969 . . . . 0.0 110.11 -179.276 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.677 HG21 ' HG3' ' B' ' 7' ' ' MET . 25.5 m -67.2 -14.08 62.57 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.073 -1.017 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.486 ' HB ' ' HG2' ' B' ' 71' ' ' GLN . 2.2 p -103.94 -13.21 16.43 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.287 -0.883 . . . . 0.0 109.329 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.485 ' CB ' HG23 ' A' ' 53' ' ' VAL . . . -84.11 43.89 0.97 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.249 -0.907 . . . . 0.0 109.636 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 30.3 m -79.23 -172.98 3.41 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.102 -0.999 . . . . 0.0 109.472 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.492 ' NE2' ' OE2' ' A' ' 86' ' ' GLU . 25.8 t60 -83.49 -93.98 0.07 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.178 -0.951 . . . . 0.0 109.731 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.492 ' OE2' ' NE2' ' A' ' 85' ' ' HIS . 0.4 OUTLIER -72.51 -84.72 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.166 -0.959 . . . . 0.0 109.605 -179.72 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.499 ' CE2' ' CE2' ' A' ' 88' ' ' PHE . 3.5 t80 -166.24 84.65 0.3 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.143 -0.973 . . . . 0.0 109.852 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.697 ' CE2' HG23 ' B' ' 11' ' ' ILE . 5.7 m-85 63.83 34.22 12.04 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.22 -0.925 . . . . 0.0 109.688 179.424 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 91' ' ' GLU . 14.1 tt0 62.89 7.91 2.86 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.338 -0.851 . . . . 0.0 110.517 179.542 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.465 ' C ' ' O ' ' A' ' 89' ' ' GLU . 2.1 t60 37.64 29.16 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.283 -0.886 . . . . 0.0 110.338 179.587 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.508 ' N ' ' O ' ' A' ' 89' ' ' GLU . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 118.018 -0.992 . . . . 0.0 109.549 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 0' ' ' MET . . . . . 0.422 ' HG2' ' O ' ' B' ' 0' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 1' ' ' SER . . . . . 0.435 ' CB ' ' OE1' ' A' ' 39' ' ' GLU . 33.4 p -128.66 176.42 7.81 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.187 -0.945 . . . . 0.0 109.634 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.755 ' O ' ' HB3' ' B' ' 6' ' ' ALA . 10.4 mm-40 -73.0 -37.35 67.0 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.407 -0.808 . . . . 0.0 109.53 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.774 HD22 HD12 ' A' ' 35' ' ' LEU . 4.7 tp -68.89 -41.71 77.93 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.089 -1.007 . . . . 0.0 110.258 -179.578 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.638 ' O ' HG23 ' B' ' 8' ' ' VAL . 1.6 tm-20 -71.94 -62.58 1.37 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.226 -0.921 . . . . 0.0 110.62 -178.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.798 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 11.0 ptmt -60.7 -37.2 80.86 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.024 -1.048 . . . . 0.0 110.753 -178.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.755 ' HB3' ' O ' ' B' ' 2' ' ' GLU . . . -79.89 -60.43 2.34 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.927 -1.108 . . . . 0.0 110.365 -179.294 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 7' ' ' MET . . . . . 0.677 ' HG3' HG21 ' A' ' 81' ' ' THR . 10.6 tpt -51.64 -56.41 13.79 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.028 -1.045 . . . . 0.0 109.19 -179.728 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.638 HG23 ' O ' ' B' ' 4' ' ' GLU . 8.5 t -60.12 -27.07 38.2 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.552 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.798 ' HB2' ' O ' ' B' ' 5' ' ' LYS . . . -63.96 -43.96 94.22 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.417 -0.802 . . . . 0.0 109.293 179.635 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.798 HD22 ' HE2' ' B' ' 74' ' ' MET . 0.1 OUTLIER -56.68 -35.04 67.99 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.33 -0.856 . . . . 0.0 109.124 179.915 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.697 HG23 ' CE2' ' A' ' 88' ' ' PHE . 1.5 mp -65.16 -33.05 61.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.197 -0.939 . . . . 0.0 109.001 179.425 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -67.8 -54.79 16.33 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.355 -0.841 . . . . 0.0 109.466 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.611 HG12 ' N ' ' B' ' 14' ' ' PHE . 0.6 OUTLIER -53.47 -54.95 15.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.351 -0.843 . . . . 0.0 109.091 179.855 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.69 ' CE1' HD12 ' B' ' 27' ' ' LEU . 93.7 t80 -43.62 -34.24 1.39 Allowed 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.589 -0.694 . . . . 0.0 110.15 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 15' ' ' HIS . . . . . 0.523 ' O ' ' N ' ' B' ' 19' ' ' GLY . 1.3 t-80 -81.11 -36.35 30.45 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.075 -1.015 . . . . 0.0 109.848 -179.397 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.79 -49.97 75.35 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.157 -0.965 . . . . 0.0 109.846 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.627 ' CG ' HD21 ' B' ' 35' ' ' LEU . 57.9 m-85 -63.23 -40.64 98.01 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.142 -0.974 . . . . 0.0 109.8 -179.661 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 9.7 t -95.52 11.17 33.97 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.022 -1.048 . . . . 0.0 109.342 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' B' ' 15' ' ' HIS . . . -93.56 -46.16 3.28 Favored Glycine 0 N--CA 1.487 2.072 0 N-CA-C 109.691 -1.364 . . . . 0.0 109.691 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.501 ' HG3' ' N ' ' B' ' 21' ' ' GLU . 16.8 ptm180 -51.31 -43.15 61.61 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.23 -1.159 . . . . 0.0 109.391 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.501 ' N ' ' HG3' ' B' ' 20' ' ' ARG . 0.2 OUTLIER -140.27 -163.06 1.44 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.317 -0.864 . . . . 0.0 109.604 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.5 -147.42 40.49 Favored Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.437 -1.465 . . . . 0.0 109.437 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.63 18.35 12.72 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.181 -1.188 . . . . 0.0 109.281 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.457 ' HG3' ' HA2' ' B' ' 19' ' ' GLY . 0.3 OUTLIER 61.73 12.49 4.68 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.4 -0.812 . . . . 0.0 109.775 179.892 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 25' ' ' HIS . . . . . 0.675 ' CD2' ' O ' ' B' ' 25' ' ' HIS . 70.5 t60 -142.14 9.85 1.91 Allowed 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.153 -0.967 . . . . 0.0 109.677 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 3.2 pttp -149.03 146.25 27.67 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.136 -0.977 . . . . 0.0 109.645 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.69 HD12 ' CE1' ' B' ' 14' ' ' PHE . 3.9 mt -117.79 -162.44 0.88 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.231 -0.918 . . . . 0.0 109.084 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -137.36 140.0 41.15 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.151 -0.968 . . . . 0.0 109.269 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.536 ' O ' ' CD2' ' B' ' 60' ' ' LEU . 0.8 OUTLIER -57.44 -23.19 48.2 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.124 -0.985 . . . . 0.0 109.728 -179.725 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.84 -38.09 33.57 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.03 -1.044 . . . . 0.0 109.479 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.463 ' O ' ' HB2' ' B' ' 35' ' ' LEU . 2.6 tt0 -75.85 -20.24 58.27 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.199 -0.938 . . . . 0.0 108.853 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.484 ' O ' HG13 ' B' ' 36' ' ' ILE . 29.1 tp -80.29 -41.72 24.42 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 178.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.816 ' HG3' HD13 ' B' ' 60' ' ' LEU . 15.3 tttt -57.93 -38.14 75.39 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 178.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.559 ' HG3' ' N ' ' B' ' 35' ' ' LEU . 0.0 OUTLIER -80.41 -31.88 37.56 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.534 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.774 HD12 HD22 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -56.83 -43.15 80.78 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.793 -0.567 . . . . 0.0 109.858 -179.866 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.879 HG21 HG21 ' B' ' 80' ' ' VAL . 0.4 OUTLIER -80.1 -50.52 17.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.128 -0.982 . . . . 0.0 110.098 -179.309 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.488 ' O ' ' HB2' ' B' ' 41' ' ' SER . 18.1 t30 -69.57 -3.27 14.12 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.241 -0.912 . . . . 0.0 110.507 -179.158 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' B' ' 34' ' ' GLU . 66.3 t30 -106.72 -67.32 0.95 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.974 -1.079 . . . . 0.0 109.631 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.5 ' HB3' ' HB3' ' A' ' 3' ' ' LEU . 5.7 mm-40 -58.58 -65.62 0.63 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.206 -0.934 . . . . 0.0 109.662 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.408 ' HA ' HD23 ' B' ' 40' ' ' LEU . 28.6 mt -66.82 -93.37 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.212 -0.93 . . . . 0.0 109.662 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.488 ' HB2' ' O ' ' B' ' 37' ' ' ASN . 36.6 t 44.45 39.71 3.37 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.047 -1.033 . . . . 0.0 109.829 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -136.54 16.19 3.15 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.128 -0.983 . . . . 0.0 109.322 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -138.41 39.4 2.26 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.366 -0.834 . . . . 0.0 109.439 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.11 60.22 0.77 Allowed 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.207 -0.933 . . . . 0.0 109.65 -179.721 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -87.24 -72.67 0.5 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.161 -0.962 . . . . 0.0 109.402 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.473 ' O ' ' HB ' ' B' ' 47' ' ' ILE . 0.2 OUTLIER -126.57 -33.03 2.58 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.333 -0.855 . . . . 0.0 108.945 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.473 ' HB ' ' O ' ' B' ' 46' ' ' GLU . 14.4 mt 65.07 125.09 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.301 -0.874 . . . . 0.0 109.473 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.37 -28.04 13.47 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.283 -0.885 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.73 ' OE1' HG23 ' B' ' 52' ' ' VAL . 5.8 mm-40 -99.05 68.7 1.71 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.295 -0.878 . . . . 0.0 109.387 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 50' ' ' GLN . . . . . 0.537 ' O ' ' CB ' ' B' ' 54' ' ' ASP . 10.8 tt0 -56.8 -23.65 45.04 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.265 -0.897 . . . . 0.0 109.38 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.45 ' O ' ' CB ' ' B' ' 55' ' ' LYS . 2.5 tt0 -80.15 -32.19 38.92 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.199 -0.938 . . . . 0.0 109.877 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.737 ' O ' HG22 ' B' ' 56' ' ' VAL . 63.3 t -71.05 -47.79 59.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.138 -0.976 . . . . 0.0 109.468 -179.707 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.519 HG22 HG12 ' B' ' 80' ' ' VAL . 63.6 t -76.37 -31.39 20.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.258 -0.901 . . . . 0.0 109.186 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 54' ' ' ASP . . . . . 0.537 ' CB ' ' O ' ' B' ' 50' ' ' GLN . 27.5 t70 -79.55 -17.61 53.61 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 179.262 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.45 ' CB ' ' O ' ' B' ' 51' ' ' GLU . 0.9 OUTLIER -80.2 -49.3 11.83 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.354 -0.841 . . . . 0.0 109.094 179.626 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.737 HG22 ' O ' ' B' ' 52' ' ' VAL . 2.5 m -74.48 -35.11 37.72 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 O-C-N 121.238 -0.914 . . . . 0.0 108.618 179.384 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.412 ' HB2' ' O ' ' B' ' 53' ' ' VAL . 0.0 OUTLIER -72.07 -22.51 61.36 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 179.268 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 58' ' ' GLU . . . . . 0.449 ' HB2' ' O ' ' B' ' 54' ' ' ASP . 10.1 mt-10 -75.37 -55.07 6.06 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.444 -0.785 . . . . 0.0 109.171 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 3.1 m -60.73 -37.37 81.54 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 179.164 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.816 HD13 ' HG3' ' B' ' 33' ' ' LYS . 14.3 mt -55.72 -57.01 13.78 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 178.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -80.37 -1.25 40.45 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.629 -0.669 . . . . 0.0 109.612 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.92 -31.75 68.46 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.154 -0.966 . . . . 0.0 109.556 -179.601 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -132.62 -59.92 0.89 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.231 -0.918 . . . . 0.0 109.56 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 77.89 -5.5 52.98 Favored Glycine 0 N--CA 1.489 2.206 0 N-CA-C 109.889 -1.285 . . . . 0.0 109.889 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -132.39 37.88 3.49 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.094 -1.239 . . . . 0.0 109.569 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -120.81 -173.33 14.78 Favored Glycine 0 N--CA 1.488 2.12 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -116.53 158.43 23.64 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.21 -1.17 . . . . 0.0 109.508 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 56.7 m -127.95 179.58 5.49 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.328 -0.858 . . . . 0.0 109.122 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -117.89 174.46 6.18 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.136 -0.977 . . . . 0.0 109.3 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.603 ' CE2' ' HG2' ' B' ' 71' ' ' GLN . 44.8 p90 -74.16 -30.55 62.32 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.35 -0.844 . . . . 0.0 109.14 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.603 ' HG2' ' CE2' ' B' ' 70' ' ' PHE . 3.1 mm-40 -79.42 -22.92 43.61 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.36 -0.838 . . . . 0.0 108.774 179.487 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.425 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 0.1 OUTLIER -78.54 -50.46 11.53 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.428 -0.795 . . . . 0.0 109.169 179.902 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.624 ' O ' HG23 ' B' ' 77' ' ' VAL . 0.0 OUTLIER -66.01 -24.12 66.7 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 179.35 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.798 ' HE2' HD22 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -75.31 -52.24 11.31 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.53 -0.731 . . . . 0.0 109.407 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.487 ' O ' ' HG3' ' B' ' 79' ' ' MET . . . -70.65 -16.37 62.81 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.216 -0.927 . . . . 0.0 108.751 179.582 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.707 ' O ' HG22 ' B' ' 80' ' ' VAL . 1.2 m-85 -80.5 -42.85 21.77 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.384 -0.823 . . . . 0.0 109.591 179.704 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.624 HG23 ' O ' ' B' ' 73' ' ' PHE . 98.2 t -67.51 -29.13 44.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.299 -0.875 . . . . 0.0 109.689 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 78' ' ' SER . . . . . 0.406 ' HA ' ' CE ' ' A' ' 7' ' ' MET . 5.9 m -76.2 -39.08 55.56 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.261 -0.899 . . . . 0.0 109.786 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 79' ' ' MET . . . . . 0.535 ' HB3' ' CG1' ' B' ' 52' ' ' VAL . 0.1 OUTLIER -60.86 -50.86 71.73 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.302 -0.874 . . . . 0.0 110.006 -179.74 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.879 HG21 HG21 ' B' ' 36' ' ' ILE . 2.6 m -69.23 -39.36 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.178 -0.951 . . . . 0.0 110.188 -179.297 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.689 HG21 ' HG3' ' A' ' 7' ' ' MET . 25.5 m -67.19 -14.11 62.59 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.992 -1.067 . . . . 0.0 109.335 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.493 ' HB ' ' HG2' ' A' ' 71' ' ' GLN . 2.2 p -103.85 -13.28 16.46 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.285 -0.884 . . . . 0.0 109.286 179.66 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.498 ' CB ' HG23 ' B' ' 53' ' ' VAL . . . -84.04 43.84 0.96 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.217 -0.927 . . . . 0.0 109.702 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 30.4 m -79.18 -172.96 3.39 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.253 -0.905 . . . . 0.0 109.448 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 85' ' ' HIS . . . . . 0.504 ' NE2' ' OE2' ' B' ' 86' ' ' GLU . 25.8 t60 -83.58 -94.04 0.07 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.213 -0.929 . . . . 0.0 109.722 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 86' ' ' GLU . . . . . 0.504 ' OE2' ' NE2' ' B' ' 85' ' ' HIS . 0.4 OUTLIER -72.32 -84.76 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.19 -0.944 . . . . 0.0 109.696 -179.801 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 87' ' ' PHE . . . . . 0.506 ' CE2' ' CE2' ' B' ' 88' ' ' PHE . 3.6 t80 -166.28 84.73 0.3 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.109 -0.995 . . . . 0.0 109.763 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.714 ' CE2' HG23 ' A' ' 11' ' ' ILE . 5.7 m-85 63.75 34.21 12.26 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.294 -0.879 . . . . 0.0 109.768 179.431 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.502 ' O ' ' N ' ' B' ' 91' ' ' GLU . 14.0 tt0 62.9 7.86 2.84 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.243 -0.911 . . . . 0.0 110.527 179.588 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 90' ' ' HIS . . . . . 0.46 ' C ' ' O ' ' B' ' 89' ' ' GLU . 2.1 t60 37.68 29.13 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.41 -0.806 . . . . 0.0 110.376 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' B' ' 89' ' ' GLU . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.589 0 O-C-N 121.085 -1.01 . . . . 0.0 109.459 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.8 t -143.06 152.98 42.47 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.272 -0.893 . . . . 0.0 109.421 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.955 ' HB2' HG22 ' B' ' 13' ' ' VAL . 55.4 mm-40 -73.99 -43.07 59.32 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.275 -0.89 . . . . 0.0 109.435 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.806 HD22 ' CD1' ' B' ' 35' ' ' LEU . 3.3 tp -65.56 -38.98 91.11 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.347 -0.845 . . . . 0.0 110.053 -179.548 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.486 ' HA ' ' CD ' ' B' ' 39' ' ' GLU . 1.1 tm-20 -66.33 -56.28 11.89 Favored 'General case' 0 C--N 1.295 -1.766 0 O-C-N 120.939 -1.101 . . . . 0.0 110.32 -178.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.812 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 8.6 ptmt -62.06 -28.82 69.87 Favored 'General case' 0 C--N 1.297 -1.688 0 O-C-N 120.643 -1.286 . . . . 0.0 109.673 -179.484 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.825 ' CB ' ' HB3' ' B' ' 9' ' ' ALA . . . -81.33 -73.58 0.37 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.106 -0.996 . . . . 0.0 110.361 -179.731 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.668 ' SD ' HG21 ' B' ' 81' ' ' THR . 9.6 tpp -49.5 -54.47 17.72 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.599 -0.688 . . . . 0.0 109.776 -179.519 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.797 HG23 ' OE2' ' B' ' 39' ' ' GLU . 6.6 t -62.34 -29.8 47.54 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.576 0 O-C-N 121.405 -0.809 . . . . 0.0 110.231 -179.072 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.816 ' HB3' ' CB ' ' B' ' 6' ' ' ALA . . . -64.86 -37.47 87.73 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.656 -1.278 . . . . 0.0 108.935 179.668 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.799 HD22 ' CE ' ' A' ' 74' ' ' MET . 0.2 OUTLIER -55.64 -50.51 70.02 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.301 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.684 HD12 ' CE2' ' B' ' 87' ' ' PHE . 28.0 mm -49.2 -34.34 7.01 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 178.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.459 ' HB3' ' O ' ' A' ' 9' ' ' ALA . 36.5 t0 -57.71 -53.63 56.0 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 179.294 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.957 HG22 ' HB2' ' B' ' 2' ' ' GLU . 67.4 t -48.25 -30.96 2.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.328 -0.857 . . . . 0.0 109.032 179.548 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.802 ' CE1' HD12 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -61.31 -47.62 85.1 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.272 -0.893 . . . . 0.0 109.529 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.418 ' O ' ' HA3' ' A' ' 19' ' ' GLY . 6.1 m-70 -64.9 -10.75 31.1 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.248 -0.907 . . . . 0.0 109.545 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -93.93 -71.26 0.67 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.241 -0.912 . . . . 0.0 109.697 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.447 ' O ' ' HG2' ' A' ' 20' ' ' ARG . 58.0 m-85 -67.75 -51.93 43.32 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.327 -0.858 . . . . 0.0 109.729 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.501 ' HB2' ' HG ' ' A' ' 27' ' ' LEU . 8.3 t -84.03 -3.46 58.04 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.146 -0.971 . . . . 0.0 109.817 -179.612 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.418 ' HA3' ' O ' ' A' ' 15' ' ' HIS . . . -108.75 39.15 3.01 Favored Glycine 0 N--CA 1.488 2.136 0 N-CA-C 109.761 -1.335 . . . . 0.0 109.761 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.447 ' HG2' ' O ' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -132.92 0.24 3.48 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.231 -1.158 . . . . 0.0 109.84 -179.871 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.469 ' O ' ' O ' ' A' ' 22' ' ' GLY . 3.3 tt0 -170.14 -55.93 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.096 -1.002 . . . . 0.0 109.697 -179.723 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.469 ' O ' ' O ' ' A' ' 21' ' ' GLU . . . -55.73 -162.38 0.02 OUTLIER Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.654 -1.378 . . . . 0.0 109.654 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.61 24.68 1.64 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.188 -1.183 . . . . 0.0 109.81 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.5 mttm 61.05 18.74 9.26 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.123 -0.986 . . . . 0.0 109.476 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.484 ' CE1' ' HA ' ' B' ' 88' ' ' PHE . 78.2 m-70 -153.58 18.88 0.54 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.254 -0.904 . . . . 0.0 109.538 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -150.04 129.61 13.1 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.249 -0.907 . . . . 0.0 109.258 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.802 HD12 ' CE1' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -105.12 -157.1 0.6 Allowed 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.364 -0.835 . . . . 0.0 109.412 -179.781 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.521 ' O ' ' CB ' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -145.53 170.51 16.26 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.305 -0.872 . . . . 0.0 108.939 179.838 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.487 ' HD2' ' HA3' ' A' ' 66' ' ' GLY . 4.1 mtpm? -79.01 -28.35 43.34 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.169 -0.957 . . . . 0.0 109.097 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.5 t -79.41 -35.45 40.57 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.459 -0.775 . . . . 0.0 109.422 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.555 ' HB3' ' CD2' ' A' ' 27' ' ' LEU . 0.4 OUTLIER -86.85 -21.1 26.6 Favored 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 179.197 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.53 HD21 ' CD2' ' A' ' 76' ' ' PHE . 23.3 tp -78.77 -35.19 44.87 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 107.427 -1.324 . . . . 0.0 107.427 178.307 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.673 ' HG3' HD13 ' A' ' 60' ' ' LEU . 7.3 ttpp -62.37 -44.28 96.83 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 178.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.539 ' HG3' ' N ' ' A' ' 35' ' ' LEU . 5.9 pt-20 -68.42 -40.28 81.28 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 179.159 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.773 ' CD1' HD22 ' B' ' 3' ' ' LEU . 0.1 OUTLIER -49.89 -50.91 44.25 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 179.154 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.863 HG23 HD22 ' A' ' 40' ' ' LEU . 0.7 OUTLIER -64.51 -56.92 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 CA-C-O 121.813 0.816 . . . . 0.0 109.196 179.66 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.51 ' O ' ' HB3' ' A' ' 41' ' ' SER . 23.6 t-20 -63.87 1.94 0.57 Allowed 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.441 -0.787 . . . . 0.0 110.615 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -87.01 -52.05 5.67 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.697 -1.252 . . . . 0.0 108.713 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.879 ' HG2' HD12 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -106.14 -49.68 3.32 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 179.352 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.879 HD12 ' HG2' ' A' ' 39' ' ' GLU . 9.2 mp -58.29 -44.61 88.59 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.596 -0.69 . . . . 0.0 109.945 -178.786 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.51 ' HB3' ' O ' ' A' ' 37' ' ' ASN . 2.1 t -41.63 -28.18 0.13 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.531 -0.731 . . . . 0.0 109.562 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.442 ' N ' ' O ' ' A' ' 40' ' ' LEU . 1.5 t-80 -58.41 -54.34 48.09 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.203 -0.936 . . . . 0.0 109.47 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.521 ' CD1' ' N ' ' A' ' 43' ' ' PHE . 0.8 OUTLIER -75.44 0.69 16.21 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.134 -0.979 . . . . 0.0 109.732 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.44 ' HB2' ' HA ' ' A' ' 41' ' ' SER . 2.6 tt -75.06 106.02 6.37 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.19 -0.944 . . . . 0.0 109.632 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.49 -45.1 0.11 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.403 -0.811 . . . . 0.0 109.245 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -123.41 -40.97 2.32 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.324 -0.86 . . . . 0.0 109.04 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.421 HG23 ' O ' ' A' ' 83' ' ' ALA . 70.0 mt 60.16 85.77 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.479 -0.763 . . . . 0.0 109.811 179.604 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.7 tttm -61.57 -41.9 98.07 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.2 -0.938 . . . . 0.0 108.98 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.872 ' OE1' HG23 ' A' ' 52' ' ' VAL . 8.3 mm-40 -89.89 77.23 7.0 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.456 -0.778 . . . . 0.0 109.083 179.616 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.452 ' O ' ' HB2' ' A' ' 54' ' ' ASP . 4.9 tt0 -62.92 -26.72 68.94 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.266 -0.896 . . . . 0.0 109.694 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -76.41 -28.94 56.87 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.088 -1.008 . . . . 0.0 109.661 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.872 HG23 ' OE1' ' A' ' 49' ' ' GLU . 81.8 t -72.89 -51.29 27.68 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.126 -0.984 . . . . 0.0 109.609 -179.768 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.456 HG22 HG12 ' A' ' 80' ' ' VAL . 77.4 t -72.55 -28.0 27.09 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.176 -0.953 . . . . 0.0 109.309 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.476 ' O ' ' HG3' ' A' ' 58' ' ' GLU . 1.2 m-20 -77.29 -20.15 55.46 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.146 -0.971 . . . . 0.0 108.734 179.375 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.06 -53.72 6.72 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.328 -0.858 . . . . 0.0 109.023 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.715 HG21 HG13 ' A' ' 80' ' ' VAL . 11.4 m -67.4 -41.0 85.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.098 -1.001 . . . . 0.0 108.84 179.483 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.41 ' N ' HG23 ' A' ' 56' ' ' VAL . 0.8 OUTLIER -66.86 -24.77 66.17 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.587 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.476 ' HG3' ' O ' ' A' ' 54' ' ' ASP . 0.3 OUTLIER -72.41 -55.18 7.46 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.415 -0.803 . . . . 0.0 109.214 179.623 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.63 -27.33 68.59 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.075 -1.016 . . . . 0.0 108.362 179.356 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.673 HD13 ' HG3' ' A' ' 33' ' ' LYS . 9.7 mt -65.77 -52.81 47.8 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.684 -0.635 . . . . 0.0 109.456 179.587 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.74 -14.87 61.2 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.538 -0.726 . . . . 0.0 110.001 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -66.1 -63.4 1.09 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.153 -0.967 . . . . 0.0 109.642 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.468 ' HB2' ' HE3' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -82.38 -68.91 0.66 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.348 -0.845 . . . . 0.0 109.623 -179.875 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 90.74 -39.88 3.05 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.531 -1.427 . . . . 0.0 109.531 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -124.36 49.45 1.8 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.232 -1.158 . . . . 0.0 109.335 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.487 ' HA3' ' HD2' ' A' ' 29' ' ' LYS . . . -108.94 -171.13 20.9 Favored Glycine 0 N--CA 1.486 1.991 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -124.78 142.18 51.59 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.252 -1.146 . . . . 0.0 109.586 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 56.1 m -113.42 162.68 15.82 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.257 -0.902 . . . . 0.0 109.372 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -92.68 172.29 8.45 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.218 -0.926 . . . . 0.0 109.455 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.615 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 24.8 p90 -70.13 -39.12 75.61 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.222 -0.924 . . . . 0.0 109.319 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.932 ' HA ' HG21 ' B' ' 82' ' ' THR . 0.0 OUTLIER -78.49 -29.31 46.63 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.274 -0.891 . . . . 0.0 109.381 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.87 -59.0 3.63 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.135 -0.978 . . . . 0.0 109.0 179.588 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.682 ' CD2' ' CE1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -51.23 -22.08 2.47 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.223 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.799 ' CE ' HD22 ' A' ' 10' ' ' LEU . 0.6 OUTLIER -74.56 -64.45 1.03 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.373 -0.829 . . . . 0.0 109.794 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.493 ' O ' ' HG2' ' A' ' 79' ' ' MET . . . -58.99 -15.28 12.29 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.426 -0.796 . . . . 0.0 109.571 -179.365 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.662 ' O ' HG22 ' A' ' 80' ' ' VAL . 0.1 OUTLIER -79.64 -46.85 16.42 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.496 -0.753 . . . . 0.0 109.345 179.673 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.593 HG11 HD21 ' A' ' 10' ' ' LEU . 76.6 t -63.97 -27.93 43.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.368 -0.832 . . . . 0.0 110.225 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.52 ' HA ' ' HE3' ' B' ' 7' ' ' MET . 16.4 m -80.2 -45.76 17.49 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.115 -0.991 . . . . 0.0 111.341 -178.745 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.518 ' SD ' ' CG1' ' A' ' 56' ' ' VAL . 5.3 ptm -56.77 -38.23 72.2 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.91 -1.119 . . . . 0.0 111.15 -178.373 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.825 ' HB ' HD23 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -77.73 -33.36 18.82 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.026 -1.046 . . . . 0.0 110.823 -179.12 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.673 HG21 ' SD ' ' B' ' 7' ' ' MET . 1.7 m -65.31 -13.87 59.47 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 120.726 -1.234 . . . . 0.0 109.628 -179.547 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.951 HG21 ' HA ' ' B' ' 71' ' ' GLN . 1.5 p -105.1 -14.68 15.31 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.221 -0.924 . . . . 0.0 109.426 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.579 ' HB2' HG11 ' A' ' 52' ' ' VAL . . . -101.23 4.48 41.89 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.329 -0.857 . . . . 0.0 109.453 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.502 ' HB3' ' HB2' ' A' ' 43' ' ' PHE . 36.1 m -94.13 -22.73 18.29 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.226 -0.921 . . . . 0.0 109.53 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.555 ' O ' ' CB ' ' A' ' 86' ' ' GLU . 0.2 OUTLIER 72.81 -153.13 0.07 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.347 -0.846 . . . . 0.0 109.266 -179.824 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.555 ' CB ' ' O ' ' A' ' 85' ' ' HIS . 0.5 OUTLIER 81.85 -68.29 0.09 Allowed 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 -179.633 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.681 ' CE2' HD12 ' B' ' 11' ' ' ILE . 0.0 OUTLIER -61.32 -37.46 83.34 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.278 -0.889 . . . . 0.0 108.818 179.547 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.468 ' CE1' ' CD2' ' A' ' 87' ' ' PHE . 87.2 m-85 -71.23 -16.38 62.49 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.386 -0.821 . . . . 0.0 109.748 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.523 ' O ' ' CB ' ' A' ' 90' ' ' HIS . 1.7 mm-40 -79.38 -5.61 54.99 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.234 -0.916 . . . . 0.0 109.584 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.523 ' CB ' ' O ' ' A' ' 89' ' ' GLU . 1.9 t-80 78.49 -4.45 2.16 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.34 -0.85 . . . . 0.0 110.186 179.593 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 57.6 tt0 . . . . . 0 N--CA 1.491 1.621 0 O-C-N 121.027 -1.046 . . . . 0.0 109.379 179.734 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 1.8 t -143.06 152.84 42.32 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.231 -0.918 . . . . 0.0 109.475 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.957 ' HB2' HG22 ' A' ' 13' ' ' VAL . 55.6 mm-40 -73.88 -42.93 59.99 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.233 -0.917 . . . . 0.0 109.532 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.773 HD22 ' CD1' ' A' ' 35' ' ' LEU . 3.3 tp -65.61 -38.99 91.02 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.346 -0.847 . . . . 0.0 110.108 -179.608 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.479 ' HA ' ' OE2' ' A' ' 39' ' ' GLU . 1.1 tm-20 -66.34 -56.25 12.01 Favored 'General case' 0 C--N 1.294 -1.826 0 O-C-N 120.973 -1.079 . . . . 0.0 110.31 -178.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.794 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 8.6 ptmt -62.09 -28.77 69.85 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 120.704 -1.248 . . . . 0.0 109.694 -179.498 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.816 ' CB ' ' HB3' ' A' ' 9' ' ' ALA . . . -81.3 -73.54 0.37 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.119 -0.988 . . . . 0.0 110.33 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' MET . . . . . 0.673 ' SD ' HG21 ' A' ' 81' ' ' THR . 9.5 tpp -49.62 -54.36 18.86 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.537 -0.727 . . . . 0.0 109.757 -179.417 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.773 HG23 ' OE2' ' A' ' 39' ' ' GLU . 6.7 t -62.52 -29.75 47.56 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.593 0 O-C-N 121.305 -0.872 . . . . 0.0 110.197 -179.028 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.825 ' HB3' ' CB ' ' A' ' 6' ' ' ALA . . . -64.85 -37.37 87.41 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.729 -1.232 . . . . 0.0 108.903 179.671 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.787 HD22 ' CE ' ' B' ' 74' ' ' MET . 0.2 OUTLIER -55.76 -50.58 70.01 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 179.263 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.681 HD12 ' CE2' ' A' ' 87' ' ' PHE . 28.1 mm -49.07 -34.38 6.52 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 178.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.456 ' HB3' ' O ' ' B' ' 9' ' ' ALA . 36.5 t0 -57.66 -53.62 56.1 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 179.262 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.955 HG22 ' HB2' ' A' ' 2' ' ' GLU . 67.4 t -48.34 -30.93 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.375 -0.828 . . . . 0.0 108.954 179.63 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.793 ' CE1' HD12 ' B' ' 27' ' ' LEU . 0.3 OUTLIER -61.25 -47.73 84.69 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.215 -0.928 . . . . 0.0 109.39 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 15' ' ' HIS . . . . . 0.419 ' O ' ' HA3' ' B' ' 19' ' ' GLY . 6.1 m-70 -64.85 -10.77 30.84 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.198 -0.939 . . . . 0.0 109.557 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -93.9 -71.26 0.67 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.314 -0.866 . . . . 0.0 109.661 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.455 ' O ' ' HG2' ' B' ' 20' ' ' ARG . 57.8 m-85 -67.81 -51.88 43.46 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.306 -0.871 . . . . 0.0 109.858 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.511 ' HB2' ' HG ' ' B' ' 27' ' ' LEU . 8.4 t -83.98 -3.43 57.99 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.225 -0.922 . . . . 0.0 109.83 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 19' ' ' GLY . . . . . 0.419 ' HA3' ' O ' ' B' ' 15' ' ' HIS . . . -108.83 39.27 2.96 Favored Glycine 0 N--CA 1.488 2.106 0 N-CA-C 109.702 -1.359 . . . . 0.0 109.702 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.455 ' HG2' ' O ' ' B' ' 17' ' ' TYR . 0.0 OUTLIER -132.92 0.25 3.48 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.182 -1.187 . . . . 0.0 109.801 -179.9 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.477 ' O ' ' O ' ' B' ' 22' ' ' GLY . 3.3 tt0 -170.12 -56.02 0.02 OUTLIER 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.066 -1.021 . . . . 0.0 109.706 -179.694 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 22' ' ' GLY . . . . . 0.477 ' O ' ' O ' ' B' ' 21' ' ' GLU . . . -55.65 -162.36 0.02 OUTLIER Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.661 -1.376 . . . . 0.0 109.661 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.58 24.63 1.64 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.245 -1.15 . . . . 0.0 109.711 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 11.6 mttm 60.92 18.74 9.11 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.159 -0.963 . . . . 0.0 109.485 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' HIS . . . . . 0.433 ' CD2' ' CD2' ' A' ' 88' ' ' PHE . 30.4 m80 -153.45 18.87 0.55 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.25 -0.906 . . . . 0.0 109.62 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -150.03 129.56 13.06 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.305 -0.872 . . . . 0.0 109.192 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.793 HD12 ' CE1' ' B' ' 14' ' ' PHE . 0.2 OUTLIER -105.05 -157.13 0.6 Allowed 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.272 -0.893 . . . . 0.0 109.352 -179.77 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.521 ' O ' ' CB ' ' B' ' 32' ' ' LEU . 0.1 OUTLIER -145.51 170.54 16.2 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.815 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.496 ' HD2' ' HA3' ' B' ' 66' ' ' GLY . 4.1 mtpm? -79.03 -28.38 43.29 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.179 -0.95 . . . . 0.0 109.1 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 5.5 t -79.36 -35.32 41.06 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.333 -0.855 . . . . 0.0 109.504 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.546 ' HB3' ' CD2' ' B' ' 27' ' ' LEU . 0.4 OUTLIER -86.95 -21.05 26.46 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 179.179 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.525 ' O ' HG13 ' B' ' 36' ' ' ILE . 23.2 tp -78.81 -35.13 44.69 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 178.365 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.659 ' HG3' HD13 ' B' ' 60' ' ' LEU . 7.4 ttpp -62.42 -44.25 96.87 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 178.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.536 ' HG3' ' N ' ' B' ' 35' ' ' LEU . 5.9 pt-20 -68.41 -40.23 81.33 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 179.197 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.806 ' CD1' HD22 ' A' ' 3' ' ' LEU . 0.1 OUTLIER -49.91 -51.1 43.37 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 179.145 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.848 HG23 HD22 ' B' ' 40' ' ' LEU . 0.7 OUTLIER -64.31 -56.89 13.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.413 -0.804 . . . . 0.0 109.252 179.654 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.507 ' O ' ' HB3' ' B' ' 41' ' ' SER . 23.6 t-20 -63.92 1.96 0.58 Allowed 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.472 -0.768 . . . . 0.0 110.726 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -86.96 -51.96 5.73 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.752 -1.218 . . . . 0.0 108.778 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.9 ' HG2' HD12 ' B' ' 40' ' ' LEU . 0.0 OUTLIER -106.16 -49.73 3.31 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.334 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.9 HD12 ' HG2' ' B' ' 39' ' ' GLU . 9.2 mp -58.31 -44.56 88.66 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.724 -0.61 . . . . 0.0 109.923 -178.716 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.507 ' HB3' ' O ' ' B' ' 37' ' ' ASN . 2.1 t -41.59 -28.16 0.12 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.495 -0.753 . . . . 0.0 109.688 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 42' ' ' HIS . . . . . 0.441 ' N ' ' O ' ' B' ' 40' ' ' LEU . 1.5 t-80 -58.53 -54.21 49.6 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.158 -0.963 . . . . 0.0 109.471 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 43' ' ' PHE . . . . . 0.544 ' CD1' ' N ' ' B' ' 43' ' ' PHE . 0.8 OUTLIER -75.51 0.67 16.44 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.227 -0.92 . . . . 0.0 109.722 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.445 ' HB2' ' HA ' ' B' ' 41' ' ' SER . 2.5 tt -75.03 106.04 6.34 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.206 -0.934 . . . . 0.0 109.597 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.46 -45.14 0.11 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.368 -0.832 . . . . 0.0 109.182 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -123.37 -41.01 2.32 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.375 -0.828 . . . . 0.0 109.116 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.419 HG23 ' O ' ' B' ' 83' ' ' ALA . 69.6 mt 60.11 85.82 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.284 -0.885 . . . . 0.0 109.864 179.666 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 6.7 tttm -61.53 -42.02 98.2 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.136 -0.978 . . . . 0.0 108.98 179.535 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.847 ' OE1' HG23 ' B' ' 52' ' ' VAL . 8.4 mm-40 -89.84 77.11 7.06 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.379 -0.825 . . . . 0.0 109.172 179.586 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 50' ' ' GLN . . . . . 0.457 ' O ' ' HB2' ' B' ' 54' ' ' ASP . 4.9 tt0 -62.82 -26.84 68.94 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.317 -0.865 . . . . 0.0 109.672 -179.694 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -76.21 -29.07 57.48 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.077 -1.014 . . . . 0.0 109.754 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.847 HG23 ' OE1' ' B' ' 49' ' ' GLU . 81.8 t -72.89 -51.18 28.15 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.263 -0.898 . . . . 0.0 109.668 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.449 HG22 HG12 ' B' ' 80' ' ' VAL . 78.1 t -72.62 -27.99 26.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.195 -0.941 . . . . 0.0 109.275 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 54' ' ' ASP . . . . . 0.475 ' O ' ' HG3' ' B' ' 58' ' ' GLU . 1.2 m-20 -77.32 -20.08 55.45 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.165 -0.959 . . . . 0.0 108.792 179.362 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.05 -53.63 6.82 Favored 'General case' 0 N--CA 1.486 1.331 0 O-C-N 121.248 -0.907 . . . . 0.0 109.066 179.684 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.716 HG21 HG13 ' B' ' 80' ' ' VAL . 11.5 m -67.48 -41.0 85.54 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.144 -0.973 . . . . 0.0 108.89 179.464 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.412 ' N ' HG23 ' B' ' 56' ' ' VAL . 0.8 OUTLIER -66.78 -24.73 66.23 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 179.583 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 58' ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' B' ' 54' ' ' ASP . 0.3 OUTLIER -72.46 -55.23 7.33 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.362 -0.836 . . . . 0.0 109.251 179.639 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.58 -27.36 68.58 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 179.395 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.659 HD13 ' HG3' ' B' ' 33' ' ' LYS . 9.7 mt -65.71 -52.92 47.5 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-O 121.5 0.667 . . . . 0.0 109.5 179.652 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.63 -14.94 61.26 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.456 -0.778 . . . . 0.0 109.941 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -66.07 -63.46 1.08 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.128 -0.983 . . . . 0.0 109.65 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.475 ' HB2' ' HE3' ' B' ' 29' ' ' LYS . 0.4 OUTLIER -82.45 -68.91 0.66 Allowed 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.323 -0.861 . . . . 0.0 109.564 -179.891 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 90.87 -39.93 3.04 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.431 -1.468 . . . . 0.0 109.431 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -124.41 49.51 1.79 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.356 -1.085 . . . . 0.0 109.376 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.496 ' HA3' ' HD2' ' B' ' 29' ' ' LYS . . . -109.03 -171.16 20.84 Favored Glycine 0 N--CA 1.487 2.1 0 N-CA-C 109.625 -1.39 . . . . 0.0 109.625 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -124.86 142.11 51.67 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.289 -1.124 . . . . 0.0 109.668 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 56.1 m -113.29 162.68 15.74 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.332 -0.855 . . . . 0.0 109.406 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -92.63 172.23 8.49 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.236 -0.915 . . . . 0.0 109.404 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.616 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 24.6 p90 -70.16 -39.14 75.49 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.213 -0.93 . . . . 0.0 109.276 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.951 ' HA ' HG21 ' A' ' 82' ' ' THR . 0.0 OUTLIER -78.46 -29.26 46.79 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.231 -0.918 . . . . 0.0 109.393 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.87 -59.13 3.53 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.136 -0.978 . . . . 0.0 108.978 179.58 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.681 ' CD2' ' CE1' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -51.09 -22.14 2.28 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 179.236 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.787 ' CE ' HD22 ' B' ' 10' ' ' LEU . 0.6 OUTLIER -74.6 -64.43 1.03 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.39 -0.819 . . . . 0.0 109.798 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.492 ' O ' ' HG2' ' B' ' 79' ' ' MET . . . -58.95 -15.26 12.05 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.508 -0.745 . . . . 0.0 109.51 -179.349 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.662 ' O ' HG22 ' B' ' 80' ' ' VAL . 0.1 OUTLIER -79.72 -46.91 16.18 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.431 -0.793 . . . . 0.0 109.332 179.726 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.593 HG11 HD21 ' B' ' 10' ' ' LEU . 76.4 t -64.01 -27.84 43.64 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 121.307 -0.87 . . . . 0.0 110.227 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 78' ' ' SER . . . . . 0.543 ' HA ' ' HE3' ' A' ' 7' ' ' MET . 16.3 m -80.19 -45.77 17.49 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.073 -1.017 . . . . 0.0 111.396 -178.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 79' ' ' MET . . . . . 0.52 ' SD ' ' CG1' ' B' ' 56' ' ' VAL . 5.3 ptm -56.72 -38.24 72.07 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.042 -1.037 . . . . 0.0 111.104 -178.401 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.851 ' HB ' HD23 ' B' ' 40' ' ' LEU . 0.0 OUTLIER -77.74 -33.45 18.91 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 120.942 -1.099 . . . . 0.0 110.793 -179.027 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.668 HG21 ' SD ' ' A' ' 7' ' ' MET . 1.7 m -65.22 -13.93 59.47 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.627 -1.295 . . . . 0.0 109.638 -179.527 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.932 HG21 ' HA ' ' A' ' 71' ' ' GLN . 1.5 p -105.01 -14.74 15.32 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.133 -0.98 . . . . 0.0 109.481 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.593 ' HB2' HG11 ' B' ' 52' ' ' VAL . . . -101.14 4.49 42.12 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.263 -0.898 . . . . 0.0 109.588 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 84' ' ' CYS . . . . . 0.489 ' HB3' ' HB2' ' B' ' 43' ' ' PHE . 37.1 m -94.02 -22.87 18.27 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.228 -0.92 . . . . 0.0 109.568 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 85' ' ' HIS . . . . . 0.56 ' O ' ' CB ' ' B' ' 86' ' ' GLU . 0.2 OUTLIER 72.81 -153.19 0.07 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.228 -0.92 . . . . 0.0 109.244 -179.778 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 86' ' ' GLU . . . . . 0.56 ' CB ' ' O ' ' B' ' 85' ' ' HIS . 0.5 OUTLIER 81.89 -68.12 0.09 Allowed 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.597 -0.689 . . . . 0.0 109.148 -179.653 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 87' ' ' PHE . . . . . 0.684 ' CE2' HD12 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -61.55 -37.37 83.54 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.334 -0.854 . . . . 0.0 108.876 179.546 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.484 ' HA ' ' CE1' ' A' ' 25' ' ' HIS . 87.2 m-85 -71.08 -16.55 62.59 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.296 -0.878 . . . . 0.0 109.734 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.526 ' O ' ' CB ' ' B' ' 90' ' ' HIS . 1.7 mm-40 -79.34 -5.55 54.77 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.254 -0.904 . . . . 0.0 109.626 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 90' ' ' HIS . . . . . 0.526 ' CB ' ' O ' ' B' ' 89' ' ' GLU . 1.9 t-80 78.37 -4.39 2.18 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.354 -0.841 . . . . 0.0 110.173 179.575 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 57.9 tt0 . . . . . 0 N--CA 1.492 1.648 0 O-C-N 120.966 -1.084 . . . . 0.0 109.368 179.703 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 12.7 ttp . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 121.185 0.517 . . . . 0.0 109.626 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.424 ' OG ' ' HB2' ' A' ' 4' ' ' GLU . 53.1 p -105.44 -172.54 2.11 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.222 -0.924 . . . . 0.0 109.452 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.731 ' HB2' HG22 ' B' ' 13' ' ' VAL . 36.5 mm-40 -80.39 -43.75 20.52 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.189 -0.944 . . . . 0.0 109.677 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.7 HD23 ' HG ' ' B' ' 40' ' ' LEU . 3.4 tp -70.14 -33.85 72.31 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.229 -0.919 . . . . 0.0 109.657 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.599 ' O ' HG23 ' A' ' 8' ' ' VAL . 1.6 mt-10 -69.79 -62.56 1.33 Allowed 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.415 -0.803 . . . . 0.0 110.165 -179.399 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.848 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.1 OUTLIER -58.73 -33.92 70.77 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.219 -0.926 . . . . 0.0 109.698 -179.218 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.533 ' N ' ' HD3' ' A' ' 5' ' ' LYS . . . -80.75 -71.1 0.48 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.034 -1.041 . . . . 0.0 110.135 -179.676 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.904 ' HG3' HG21 ' B' ' 81' ' ' THR . 6.7 tpt -47.64 -55.01 10.3 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.421 -0.799 . . . . 0.0 109.676 -179.634 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 4' ' ' GLU . 6.1 t -60.31 -34.4 57.36 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 O-C-N 121.47 -0.769 . . . . 0.0 109.367 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.848 ' HB2' ' O ' ' A' ' 5' ' ' LYS . . . -59.87 -34.51 73.23 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.136 -0.977 . . . . 0.0 108.643 179.272 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.974 HD22 ' HE3' ' A' ' 74' ' ' MET . 0.4 OUTLIER -57.43 -41.33 80.24 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.314 -0.866 . . . . 0.0 108.777 179.458 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.604 ' N ' HD12 ' A' ' 11' ' ' ILE . 1.4 mp -58.84 -35.06 54.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 179.422 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 13' ' ' VAL . 11.8 t0 -62.49 -52.18 64.53 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.418 -0.801 . . . . 0.0 109.429 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.736 HG22 ' HB2' ' B' ' 2' ' ' GLU . 54.5 t -43.68 -36.76 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.375 -0.828 . . . . 0.0 109.498 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.494 ' CE1' ' HG ' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -62.72 -47.21 84.57 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.214 -0.929 . . . . 0.0 109.623 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -73.05 -2.0 19.51 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.219 -0.926 . . . . 0.0 109.692 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.84 -44.85 8.27 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.083 -1.011 . . . . 0.0 109.584 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.507 ' HE1' HG13 ' A' ' 13' ' ' VAL . 95.8 m-85 -87.94 -57.38 2.96 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.197 -0.94 . . . . 0.0 109.617 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.9 t -64.03 -25.85 68.3 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.184 -0.948 . . . . 0.0 109.748 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.43 ' HA2' ' HD2' ' A' ' 24' ' ' LYS . . . -56.53 -26.63 52.75 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.655 -1.378 . . . . 0.0 109.655 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.412 ' O ' ' O ' ' A' ' 21' ' ' GLU . 49.6 mtp180 -47.75 -78.46 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.223 -1.163 . . . . 0.0 109.677 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.412 ' O ' ' O ' ' A' ' 20' ' ' ARG . 0.8 OUTLIER -55.65 -168.27 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.277 -0.89 . . . . 0.0 109.861 -179.798 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.479 ' O ' ' HG3' ' A' ' 24' ' ' LYS . . . -90.53 -33.27 8.67 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.844 -1.302 . . . . 0.0 109.844 -179.636 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.2 -62.74 1.37 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.287 -1.126 . . . . 0.0 109.661 -179.731 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.479 ' HG3' ' O ' ' A' ' 22' ' ' GLY . 25.4 mtmm 56.24 22.81 6.5 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.118 -0.989 . . . . 0.0 109.84 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 36.0 m80 -142.35 10.43 1.89 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.178 -0.951 . . . . 0.0 109.584 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.53 130.24 13.19 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.167 -0.958 . . . . 0.0 109.168 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.494 ' HG ' ' CE1' ' A' ' 14' ' ' PHE . 1.1 mt -102.0 -156.96 0.58 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.168 -0.958 . . . . 0.0 109.22 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -150.74 169.32 21.93 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.092 -1.005 . . . . 0.0 109.351 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.548 ' HG3' ' CA ' ' A' ' 64' ' ' GLY . 1.1 ptmt -78.01 -19.93 53.47 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.109 -0.994 . . . . 0.0 109.363 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.9 -44.32 20.61 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.241 -0.912 . . . . 0.0 109.029 179.566 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.507 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 7.7 tt0 -78.56 -16.87 56.94 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 179.009 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.506 ' O ' HG13 ' A' ' 36' ' ' ILE . 30.3 tp -80.31 -41.24 25.26 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 178.508 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.779 ' HB2' HD22 ' A' ' 60' ' ' LEU . 2.5 tttt -56.71 -44.24 81.35 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.793 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.521 ' HG3' ' N ' ' A' ' 35' ' ' LEU . 9.9 pt-20 -71.5 -39.49 70.78 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 179.233 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.599 HD11 HG11 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -48.67 -42.94 36.21 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 179.625 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -80.64 -58.32 3.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.254 -0.904 . . . . 0.0 110.114 -179.649 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.514 ' O ' ' CB ' ' A' ' 41' ' ' SER . 43.7 t-20 -68.61 -62.75 1.25 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.239 -0.913 . . . . 0.0 109.986 -179.239 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.486 ' HB3' ' O ' ' A' ' 34' ' ' GLU . 13.4 t-20 -43.41 -52.22 6.09 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.139 -0.975 . . . . 0.0 110.242 -179.589 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.471 ' HB2' ' O ' ' A' ' 35' ' ' LEU . 24.4 mm-40 -79.23 -79.58 0.13 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.107 -0.996 . . . . 0.0 110.361 -179.258 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.705 ' HG ' HD23 ' B' ' 3' ' ' LEU . 45.9 mt -58.5 -94.24 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.091 -1.005 . . . . 0.0 110.058 -179.03 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.514 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 4.3 t 52.49 20.27 1.41 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.07 -1.019 . . . . 0.0 109.536 -179.711 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -96.42 -26.13 15.44 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.151 -0.968 . . . . 0.0 109.425 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -117.2 56.14 0.83 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.322 -0.861 . . . . 0.0 109.432 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.09 54.53 1.95 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.176 -0.952 . . . . 0.0 109.591 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -99.17 -72.82 0.65 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.249 -0.907 . . . . 0.0 109.365 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.433 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 48.3 mt-10 -97.74 -24.59 15.41 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.266 -0.896 . . . . 0.0 109.397 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.433 ' HB ' ' O ' ' A' ' 46' ' ' GLU . 23.0 mt 61.04 111.51 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.252 -0.905 . . . . 0.0 109.73 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.412 ' HB2' ' HA ' ' A' ' 85' ' ' HIS . 0.1 OUTLIER -91.18 -43.96 9.54 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.274 -0.891 . . . . 0.0 109.326 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.862 ' OE1' HG23 ' A' ' 52' ' ' VAL . 7.4 mm-40 -85.2 64.61 8.77 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.251 -0.905 . . . . 0.0 109.077 179.67 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.552 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 0.9 OUTLIER -46.88 -24.82 0.65 Allowed 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.19 -0.944 . . . . 0.0 110.08 -179.609 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -80.58 -41.3 24.26 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.002 -1.061 . . . . 0.0 110.424 -179.326 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.862 HG23 ' OE1' ' A' ' 49' ' ' GLU . 98.2 t -69.12 -46.29 78.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.025 -1.047 . . . . 0.0 109.9 -179.41 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.464 HG23 ' CB ' ' A' ' 83' ' ' ALA . 59.3 t -75.14 -29.99 22.53 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 O-C-N 121.178 -0.951 . . . . 0.0 109.747 -179.679 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.552 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 33.8 t70 -80.47 -20.42 43.75 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.02 -1.05 . . . . 0.0 109.096 179.685 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.417 ' C ' ' CD ' ' A' ' 55' ' ' LYS . 0.5 OUTLIER -77.27 -43.15 34.33 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 121.197 -0.94 . . . . 0.0 109.104 179.85 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.972 HG21 ' CG1' ' A' ' 80' ' ' VAL . 7.5 m -78.16 -37.12 22.12 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 O-C-N 121.096 -1.002 . . . . 0.0 108.884 179.382 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 36.3 tpp -71.36 -23.77 61.96 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 179.487 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.475 ' O ' ' HB2' ' A' ' 62' ' ' GLU . 3.9 mt-10 -75.46 -51.5 12.88 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.238 -0.914 . . . . 0.0 109.364 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.4 m -64.82 -33.1 75.19 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 179.3 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.779 HD22 ' HB2' ' A' ' 33' ' ' LYS . 9.7 mt -61.52 -53.11 60.71 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 179.384 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.37 -6.95 58.83 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.46 -0.775 . . . . 0.0 109.557 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.475 ' HB2' ' O ' ' A' ' 58' ' ' GLU . 3.8 tt0 -66.97 -40.86 87.56 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.106 -0.996 . . . . 0.0 109.691 -179.706 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.521 ' CB ' ' HE2' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -125.14 -55.72 1.56 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.268 -0.895 . . . . 0.0 109.802 -179.753 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.548 ' CA ' ' HG3' ' A' ' 29' ' ' LYS . . . 89.73 -52.41 3.64 Favored Glycine 0 N--CA 1.49 2.3 0 N-CA-C 109.365 -1.494 . . . . 0.0 109.365 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -105.26 89.32 3.09 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.28 -1.13 . . . . 0.0 109.361 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.54 ' N ' ' HD3' ' A' ' 29' ' ' LYS . . . -147.25 175.71 26.48 Favored Glycine 0 N--CA 1.488 2.134 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -110.45 125.09 52.91 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.289 -1.124 . . . . 0.0 109.702 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.2 m -106.96 173.83 6.15 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.354 -0.841 . . . . 0.0 109.104 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.402 ' H ' ' HB2' ' A' ' 72' ' ' GLU . 35.6 m-20 -115.18 -176.23 2.87 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.203 -0.935 . . . . 0.0 109.198 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.468 ' CE1' ' SD ' ' A' ' 74' ' ' MET . 10.2 t80 -74.39 -49.04 24.22 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.092 -1.005 . . . . 0.0 109.277 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.7 ' HA ' HG21 ' B' ' 82' ' ' THR . 0.0 OUTLIER -61.86 -23.04 66.02 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.243 -0.911 . . . . 0.0 109.333 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.45 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 0.5 OUTLIER -79.28 -54.32 6.07 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.215 -0.928 . . . . 0.0 109.086 179.721 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.754 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.1 OUTLIER -60.32 -21.44 62.03 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 179.261 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.974 ' HE3' HD22 ' A' ' 10' ' ' LEU . 0.7 OUTLIER -77.98 -60.1 2.51 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.376 -0.828 . . . . 0.0 109.334 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.517 ' O ' ' HG2' ' A' ' 79' ' ' MET . . . -62.49 -17.0 58.64 Favored 'General case' 0 C--N 1.302 -1.499 0 C-N-CA 119.676 -0.809 . . . . 0.0 109.48 -179.622 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.714 ' O ' HG22 ' A' ' 80' ' ' VAL . 0.3 OUTLIER -81.47 -43.44 18.84 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.313 -0.867 . . . . 0.0 109.789 179.867 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.761 HG12 ' SD ' ' B' ' 7' ' ' MET . 53.4 t -71.96 -25.33 23.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.339 -0.85 . . . . 0.0 110.341 -179.28 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.436 ' O ' ' OG1' ' A' ' 82' ' ' THR . 57.3 p -76.27 -52.63 9.6 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.144 -0.973 . . . . 0.0 110.758 -178.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.719 ' HB2' HG13 ' A' ' 52' ' ' VAL . 13.8 ptp -58.1 -42.45 85.68 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.945 -1.097 . . . . 0.0 110.281 -179.131 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.972 ' CG1' HG21 ' A' ' 56' ' ' VAL . 9.1 m -65.2 -41.45 91.67 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 O-C-N 121.004 -1.06 . . . . 0.0 110.037 -179.705 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.931 HG21 ' HG3' ' B' ' 7' ' ' MET . 5.3 m -70.42 -13.21 62.04 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.998 -1.064 . . . . 0.0 109.417 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.853 HG23 ' HG2' ' B' ' 74' ' ' MET . 0.1 OUTLIER -100.33 1.27 41.4 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.22 -0.925 . . . . 0.0 109.61 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.464 ' CB ' HG23 ' A' ' 53' ' ' VAL . . . -101.33 25.55 8.16 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.161 -0.962 . . . . 0.0 109.191 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 85' ' ' HIS . 21.8 p -60.37 134.38 57.01 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.271 -0.893 . . . . 0.0 109.417 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.506 ' H ' ' CD2' ' A' ' 85' ' ' HIS . 0.0 OUTLIER -39.76 -88.91 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.637 -0.664 . . . . 0.0 109.918 -179.589 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -67.07 -177.97 0.72 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.156 -0.965 . . . . 0.0 109.933 -179.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -113.82 105.64 13.51 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.431 -0.793 . . . . 0.0 109.025 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.422 ' CE2' HG23 ' B' ' 11' ' ' ILE . 18.1 m-85 53.84 69.09 0.75 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.144 -0.972 . . . . 0.0 109.134 -179.507 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.456 ' O ' ' HB3' ' A' ' 90' ' ' HIS . 0.4 OUTLIER -152.65 -57.9 0.14 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.054 -1.029 . . . . 0.0 109.923 -179.667 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.572 ' CG ' ' O ' ' A' ' 90' ' ' HIS . 20.7 t-80 61.77 13.88 5.75 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.324 -0.86 . . . . 0.0 109.527 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 . . . . . 0 N--CA 1.491 1.589 0 O-C-N 121.07 -1.018 . . . . 0.0 109.512 179.836 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 12.7 ttp . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' SER . . . . . 0.435 ' OG ' ' HB2' ' B' ' 4' ' ' GLU . 53.1 p -105.53 -172.5 2.1 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.225 -0.922 . . . . 0.0 109.41 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.736 ' HB2' HG22 ' A' ' 13' ' ' VAL . 36.4 mm-40 -80.46 -43.72 20.41 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.232 -0.917 . . . . 0.0 109.694 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.705 HD23 ' HG ' ' A' ' 40' ' ' LEU . 3.4 tp -70.08 -33.89 72.48 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.279 -0.888 . . . . 0.0 109.617 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.604 ' O ' HG23 ' B' ' 8' ' ' VAL . 1.6 mt-10 -69.85 -62.54 1.34 Allowed 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.312 -0.867 . . . . 0.0 110.122 -179.309 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.864 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 0.1 OUTLIER -58.81 -33.93 70.93 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.224 -0.923 . . . . 0.0 109.595 -179.14 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.548 ' N ' ' HD3' ' B' ' 5' ' ' LYS . . . -80.8 -71.06 0.48 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.992 -1.068 . . . . 0.0 110.141 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 7' ' ' MET . . . . . 0.931 ' HG3' HG21 ' A' ' 81' ' ' THR . 6.6 tpt -47.63 -54.94 10.48 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-O 121.721 0.772 . . . . 0.0 109.628 -179.627 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.604 HG23 ' O ' ' B' ' 4' ' ' GLU . 6.1 t -60.35 -34.36 57.34 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.579 0 C-N-CA 119.822 -0.751 . . . . 0.0 109.347 -179.697 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.864 ' HB2' ' O ' ' B' ' 5' ' ' LYS . . . -59.97 -34.55 73.44 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.13 -0.981 . . . . 0.0 108.615 179.288 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.945 HD22 ' HE3' ' B' ' 74' ' ' MET . 0.4 OUTLIER -57.29 -41.39 79.73 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.373 -0.83 . . . . 0.0 108.791 179.412 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.596 ' N ' HD12 ' B' ' 11' ' ' ILE . 1.4 mp -58.83 -35.15 54.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.344 -0.848 . . . . 0.0 108.778 179.417 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' B' ' 13' ' ' VAL . 11.7 t0 -62.42 -52.11 64.85 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.365 -0.835 . . . . 0.0 109.463 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.731 HG22 ' HB2' ' A' ' 2' ' ' GLU . 54.4 t -43.68 -36.82 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.348 -0.845 . . . . 0.0 109.529 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.483 ' CE1' ' HG ' ' B' ' 27' ' ' LEU . 0.6 OUTLIER -62.66 -47.34 84.13 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.241 -0.912 . . . . 0.0 109.574 -179.898 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -72.9 -2.06 19.34 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.112 -0.993 . . . . 0.0 109.694 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.9 -44.84 8.26 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.204 -0.935 . . . . 0.0 109.603 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.518 ' HE1' HG13 ' B' ' 13' ' ' VAL . 95.8 m-85 -87.91 -57.33 2.98 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.273 -0.892 . . . . 0.0 109.69 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 4.9 t -64.1 -25.75 68.24 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.343 -0.848 . . . . 0.0 109.796 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' GLY . . . . . 0.425 ' HA2' ' HD2' ' B' ' 24' ' ' LYS . . . -56.66 -26.56 53.46 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.651 -1.38 . . . . 0.0 109.651 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.418 ' O ' ' O ' ' B' ' 21' ' ' GLU . 49.8 mtp180 -47.71 -78.48 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.259 -1.141 . . . . 0.0 109.654 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.418 ' O ' ' O ' ' B' ' 20' ' ' ARG . 0.8 OUTLIER -55.61 -168.27 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.373 -0.83 . . . . 0.0 109.889 -179.735 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 22' ' ' GLY . . . . . 0.481 ' O ' ' HG3' ' B' ' 24' ' ' LYS . . . -90.45 -33.4 8.64 Favored Glycine 0 N--CA 1.49 2.235 0 N-CA-C 109.885 -1.286 . . . . 0.0 109.885 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.08 -62.82 1.32 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.265 -1.138 . . . . 0.0 109.707 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.481 ' HG3' ' O ' ' B' ' 22' ' ' GLY . 25.5 mtmm 56.3 22.87 6.65 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.117 -0.989 . . . . 0.0 109.871 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -142.4 10.4 1.88 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.045 -1.035 . . . . 0.0 109.591 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.53 130.23 13.17 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.217 -0.927 . . . . 0.0 109.206 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.5 HD23 ' HA ' ' B' ' 27' ' ' LEU . 1.1 mt -102.07 -156.98 0.58 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.283 -0.886 . . . . 0.0 109.182 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -150.72 169.34 21.85 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.09 -1.006 . . . . 0.0 109.373 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.538 ' HD3' ' N ' ' B' ' 66' ' ' GLY . 1.1 ptmt -78.05 -19.98 53.27 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.081 -1.012 . . . . 0.0 109.259 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.83 -44.3 20.79 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.236 -0.915 . . . . 0.0 109.051 179.568 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.502 ' O ' ' HG2' ' B' ' 34' ' ' GLU . 7.7 tt0 -78.63 -16.88 56.84 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 179.016 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.51 ' O ' HG13 ' B' ' 36' ' ' ILE . 30.3 tp -80.27 -41.3 25.27 Favored 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 178.493 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.774 ' HB2' HD22 ' B' ' 60' ' ' LEU . 2.5 tttt -56.81 -44.18 81.72 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 178.816 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.528 ' HG3' ' N ' ' B' ' 35' ' ' LEU . 9.9 pt-20 -71.49 -39.51 70.82 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.214 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.597 HD11 HG11 ' B' ' 13' ' ' VAL . 0.2 OUTLIER -48.66 -43.03 36.31 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 179.646 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.51 HG13 ' O ' ' B' ' 32' ' ' LEU . 0.4 OUTLIER -80.6 -58.32 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.248 -0.908 . . . . 0.0 110.149 -179.693 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.532 ' O ' ' CB ' ' B' ' 41' ' ' SER . 43.7 t-20 -68.69 -62.73 1.26 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.276 -0.89 . . . . 0.0 109.901 -179.183 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.481 ' HB3' ' O ' ' B' ' 34' ' ' GLU . 13.6 t-20 -43.45 -52.18 6.18 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.123 -0.985 . . . . 0.0 110.221 -179.573 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.465 ' HB2' ' O ' ' B' ' 35' ' ' LEU . 24.4 mm-40 -79.3 -79.57 0.13 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.15 -0.968 . . . . 0.0 110.372 -179.254 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.7 ' HG ' HD23 ' A' ' 3' ' ' LEU . 46.1 mt -58.46 -94.19 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.339 0 O-C-N 121.118 -0.989 . . . . 0.0 110.166 -179.114 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.532 ' CB ' ' O ' ' B' ' 37' ' ' ASN . 4.3 t 52.5 20.27 1.42 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.096 -1.003 . . . . 0.0 109.498 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -96.45 -26.24 15.38 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.248 -0.907 . . . . 0.0 109.43 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -117.05 56.09 0.82 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.251 -0.905 . . . . 0.0 109.477 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.11 54.53 1.95 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.281 -0.887 . . . . 0.0 109.557 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -99.2 -72.75 0.65 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.327 -0.858 . . . . 0.0 109.385 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.436 ' O ' ' HB ' ' B' ' 47' ' ' ILE . 48.5 mt-10 -97.85 -24.49 15.41 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.339 -0.851 . . . . 0.0 109.379 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.436 ' HB ' ' O ' ' B' ' 46' ' ' GLU . 23.1 mt 60.97 111.61 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.328 -0.857 . . . . 0.0 109.708 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.403 ' HB2' ' HA ' ' B' ' 85' ' ' HIS . 0.1 OUTLIER -91.26 -43.89 9.54 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.261 -0.899 . . . . 0.0 109.398 179.876 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.869 ' OE1' HG23 ' B' ' 52' ' ' VAL . 7.5 mm-40 -85.2 64.58 8.76 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.258 -0.901 . . . . 0.0 109.078 179.594 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 50' ' ' GLN . . . . . 0.554 ' O ' ' CB ' ' B' ' 54' ' ' ASP . 0.9 OUTLIER -47.0 -24.85 0.68 Allowed 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.266 -0.896 . . . . 0.0 110.022 -179.503 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -80.51 -41.18 24.7 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.988 -1.07 . . . . 0.0 110.466 -179.378 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.869 HG23 ' OE1' ' B' ' 49' ' ' GLU . 97.1 t -69.2 -46.39 77.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 120.984 -1.072 . . . . 0.0 109.907 -179.473 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.462 HG23 ' CB ' ' B' ' 83' ' ' ALA . 58.8 t -75.12 -29.89 22.47 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.259 -0.9 . . . . 0.0 109.773 -179.678 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 54' ' ' ASP . . . . . 0.554 ' CB ' ' O ' ' B' ' 50' ' ' GLN . 33.8 t70 -80.47 -20.46 43.67 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.025 -1.047 . . . . 0.0 109.014 179.656 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.415 ' C ' ' CD ' ' B' ' 55' ' ' LYS . 0.5 OUTLIER -77.26 -43.13 34.47 Favored 'General case' 0 C--N 1.306 -1.312 0 O-C-N 121.113 -0.992 . . . . 0.0 109.079 179.871 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.963 HG21 ' CG1' ' B' ' 80' ' ' VAL . 7.7 m -78.12 -37.11 22.21 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.353 0 O-C-N 121.116 -0.99 . . . . 0.0 108.954 179.373 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 36.4 tpp -71.42 -23.9 61.94 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' GLU . . . . . 0.482 ' HB2' ' O ' ' B' ' 54' ' ' ASP . 3.9 mt-10 -75.28 -51.62 12.81 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.308 -0.87 . . . . 0.0 109.326 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 1.4 m -64.77 -33.13 75.25 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 179.366 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.774 HD22 ' HB2' ' B' ' 33' ' ' LYS . 9.6 mt -61.65 -52.89 62.48 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 179.414 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.44 -6.88 58.78 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.433 -0.792 . . . . 0.0 109.597 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.474 ' HB2' ' O ' ' B' ' 58' ' ' GLU . 3.8 tt0 -67.01 -40.9 87.4 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.224 -0.923 . . . . 0.0 109.664 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.529 ' CB ' ' HE2' ' B' ' 29' ' ' LYS . 0.1 OUTLIER -125.12 -55.8 1.56 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.238 -0.914 . . . . 0.0 109.829 -179.745 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 64' ' ' GLY . . . . . 0.534 ' CA ' ' HG3' ' B' ' 29' ' ' LYS . . . 89.76 -52.34 3.62 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.427 -1.469 . . . . 0.0 109.427 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -105.21 89.36 3.1 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.294 -1.121 . . . . 0.0 109.321 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.538 ' N ' ' HD3' ' B' ' 29' ' ' LYS . . . -147.26 175.67 26.51 Favored Glycine 0 N--CA 1.488 2.106 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -110.5 125.08 52.94 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.301 -1.117 . . . . 0.0 109.666 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 3.1 m -107.02 173.83 6.15 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.33 -0.856 . . . . 0.0 109.031 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -115.1 -176.33 2.88 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.312 -0.867 . . . . 0.0 109.254 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.47 ' CE1' ' SD ' ' B' ' 74' ' ' MET . 10.3 t80 -74.34 -49.01 24.61 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.085 -1.009 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.68 ' HA ' HG21 ' A' ' 82' ' ' THR . 0.0 OUTLIER -61.86 -23.01 66.01 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.166 -0.959 . . . . 0.0 109.346 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.459 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 0.5 OUTLIER -79.44 -54.23 6.13 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.202 -0.936 . . . . 0.0 109.095 179.757 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.755 ' O ' HG23 ' B' ' 77' ' ' VAL . 0.1 OUTLIER -60.27 -21.5 62.0 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.168 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.945 ' HE3' HD22 ' B' ' 10' ' ' LEU . 0.7 OUTLIER -77.93 -60.16 2.48 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.412 -0.805 . . . . 0.0 109.4 179.862 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.518 ' O ' ' HG2' ' B' ' 79' ' ' MET . . . -62.39 -17.04 58.13 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.432 -0.793 . . . . 0.0 109.529 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.729 ' O ' HG22 ' B' ' 80' ' ' VAL . 0.3 OUTLIER -81.51 -43.41 18.82 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.433 -0.792 . . . . 0.0 109.806 179.875 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.763 HG12 ' SD ' ' A' ' 7' ' ' MET . 53.8 t -72.15 -25.11 23.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.301 -0.874 . . . . 0.0 110.235 -179.208 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 78' ' ' SER . . . . . 0.436 ' O ' ' OG1' ' B' ' 82' ' ' THR . 57.7 p -76.31 -52.74 9.34 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.126 -0.984 . . . . 0.0 110.737 -178.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 79' ' ' MET . . . . . 0.709 ' HB2' HG13 ' B' ' 52' ' ' VAL . 13.8 ptp -58.15 -42.39 85.83 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.868 -1.145 . . . . 0.0 110.269 -179.071 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.963 ' CG1' HG21 ' B' ' 56' ' ' VAL . 8.6 m -65.26 -41.45 91.53 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 O-C-N 120.97 -1.081 . . . . 0.0 109.964 -179.673 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.904 HG21 ' HG3' ' A' ' 7' ' ' MET . 5.2 m -70.42 -13.19 62.03 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.078 -1.014 . . . . 0.0 109.384 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.842 HG23 ' HG2' ' A' ' 74' ' ' MET . 0.1 OUTLIER -100.34 1.2 41.31 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.184 -0.948 . . . . 0.0 109.627 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.462 ' CB ' HG23 ' B' ' 53' ' ' VAL . . . -101.33 25.49 8.23 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.193 -0.942 . . . . 0.0 109.194 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 84' ' ' CYS . . . . . 0.451 ' O ' ' C ' ' B' ' 85' ' ' HIS . 21.6 p -60.28 134.42 57.04 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.306 -0.871 . . . . 0.0 109.405 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 85' ' ' HIS . . . . . 0.488 ' CD2' ' H ' ' B' ' 85' ' ' HIS . 0.0 OUTLIER -39.72 -88.91 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.633 -0.667 . . . . 0.0 109.919 -179.608 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -67.12 -177.96 0.73 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.161 -0.962 . . . . 0.0 109.918 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -113.79 105.74 13.64 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.459 -0.776 . . . . 0.0 109.086 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.419 ' CE2' HG23 ' A' ' 11' ' ' ILE . 18.4 m-85 53.8 69.16 0.74 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.048 -1.032 . . . . 0.0 109.058 -179.544 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.456 ' O ' ' HB3' ' B' ' 90' ' ' HIS . 0.4 OUTLIER -152.64 -58.09 0.14 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.259 -0.9 . . . . 0.0 109.901 -179.644 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 90' ' ' HIS . . . . . 0.584 ' CG ' ' O ' ' B' ' 90' ' ' HIS . 20.7 t-80 61.9 13.82 5.85 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.282 -0.886 . . . . 0.0 109.581 -179.663 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 . . . . . 0 N--CA 1.49 1.575 0 CA-C-O 117.964 -1.017 . . . . 0.0 109.48 179.945 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.474 ' O ' ' CG ' ' A' ' 5' ' ' LYS . 0.9 OUTLIER -123.66 173.26 8.21 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.286 -0.884 . . . . 0.0 109.649 -179.923 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.839 ' HB3' HG22 ' B' ' 13' ' ' VAL . 0.8 OUTLIER -80.34 -45.33 17.97 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.327 -0.858 . . . . 0.0 109.644 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.633 HD13 HG11 ' B' ' 13' ' ' VAL . 9.0 tp -79.78 -43.85 21.75 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.241 -0.912 . . . . 0.0 109.949 -179.617 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.551 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 7.9 tt0 -61.75 -44.6 96.59 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.011 -1.055 . . . . 0.0 110.034 -179.277 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.474 ' CG ' ' O ' ' A' ' 1' ' ' SER . 1.7 pttt -70.82 -35.93 72.7 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.645 -1.284 . . . . 0.0 110.118 -179.441 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.502 ' HB2' ' HB1' ' B' ' 9' ' ' ALA . . . -80.56 -70.11 0.55 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.1 -1.0 . . . . 0.0 110.248 -179.394 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.733 ' HE2' HG12 ' B' ' 77' ' ' VAL . 4.3 tpt -45.79 -51.45 12.74 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.467 -0.771 . . . . 0.0 110.194 -179.3 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.551 ' CG2' ' O ' ' A' ' 4' ' ' GLU . 23.1 t -61.36 -34.81 62.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.297 -0.877 . . . . 0.0 109.443 -179.324 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.484 ' HB1' ' HB2' ' B' ' 6' ' ' ALA . . . -55.71 -38.65 70.01 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.099 -1.0 . . . . 0.0 108.805 179.313 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.691 HD22 ' SD ' ' A' ' 74' ' ' MET . 0.5 OUTLIER -58.62 -52.39 65.88 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.28 -0.887 . . . . 0.0 108.724 179.432 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.953 HG23 ' CZ ' ' B' ' 88' ' ' PHE . 1.1 mp -48.98 -37.0 8.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.254 -0.904 . . . . 0.0 108.608 179.262 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -55.49 -50.85 68.83 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.287 -0.883 . . . . 0.0 109.512 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.81 HG22 ' HB3' ' B' ' 2' ' ' GLU . 46.4 t -49.51 -36.7 10.47 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.412 -0.805 . . . . 0.0 109.964 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.555 ' HB3' ' CE2' ' B' ' 88' ' ' PHE . 2.2 t80 -58.13 -44.43 87.79 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.213 -0.929 . . . . 0.0 109.657 -179.578 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -80.67 -7.51 59.34 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.144 -0.973 . . . . 0.0 109.564 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.477 ' HB2' ' HA ' ' A' ' 13' ' ' VAL . 0.6 OUTLIER -83.46 -26.45 30.28 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.236 -0.915 . . . . 0.0 109.456 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.459 ' CD1' HD21 ' A' ' 35' ' ' LEU . 43.3 m-85 -106.66 -53.11 2.67 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.293 -0.879 . . . . 0.0 109.462 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.435 ' O ' ' O ' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -48.3 -56.61 7.62 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.22 -0.925 . . . . 0.0 109.463 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 18' ' ' SER . . . -45.16 -57.78 5.39 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.346 -1.501 . . . . 0.0 109.346 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -50.9 -91.34 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.301 -1.117 . . . . 0.0 109.459 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.435 ' O ' ' O ' ' A' ' 18' ' ' SER . 0.6 OUTLIER -107.96 -162.21 0.82 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.277 -0.889 . . . . 0.0 109.409 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 73.12 -149.62 42.85 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.607 -1.397 . . . . 0.0 109.607 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.431 ' HB2' ' HB2' ' A' ' 26' ' ' LYS . 0.5 OUTLIER -91.46 -172.85 3.39 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.359 -1.083 . . . . 0.0 109.444 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.517 ' O ' ' ND1' ' A' ' 25' ' ' HIS . 1.2 mmtt -76.88 -35.22 57.59 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.166 -0.959 . . . . 0.0 109.303 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.583 ' O ' ' CE1' ' A' ' 70' ' ' PHE . 23.6 m-70 -147.08 35.41 0.91 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.302 -0.874 . . . . 0.0 109.433 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.453 ' HG2' ' C ' ' A' ' 25' ' ' HIS . 6.7 mttm -137.22 145.57 43.79 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.237 -0.915 . . . . 0.0 109.122 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.52 ' O ' ' CB ' ' A' ' 68' ' ' CYS . 0.1 OUTLIER -115.93 137.1 52.42 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.14 -0.975 . . . . 0.0 108.932 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.515 ' HG3' ' HA ' ' A' ' 67' ' ' GLU . 0.1 OUTLIER -88.58 174.22 8.19 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.002 -1.062 . . . . 0.0 110.014 -179.34 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.662 ' HB2' HD23 ' A' ' 60' ' ' LEU . 6.4 ptpt -76.31 -15.81 59.9 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.349 -0.844 . . . . 0.0 109.733 -179.602 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.53 -44.09 19.67 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.032 -1.042 . . . . 0.0 108.583 179.189 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.478 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 4.6 tt0 -80.46 -17.25 52.24 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 178.794 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.634 HD21 ' CD2' ' A' ' 76' ' ' PHE . 19.1 tp -80.21 -41.87 24.36 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 178.672 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.763 ' HB2' HD22 ' A' ' 60' ' ' LEU . 10.6 tttt -59.32 -43.7 92.65 Favored 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 178.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.544 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 13.5 pt-20 -71.94 -36.81 70.03 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 179.45 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.67 HD11 HG11 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -50.9 -42.45 59.23 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 121.738 -0.601 . . . . 0.0 109.503 179.866 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.738 HG21 HG21 ' A' ' 80' ' ' VAL . 0.3 OUTLIER -81.62 -57.21 4.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.202 -0.937 . . . . 0.0 110.336 -179.431 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -68.46 -0.72 5.32 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.278 -0.889 . . . . 0.0 111.174 -178.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.544 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 21.2 t-20 -110.99 -77.08 0.59 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.76 -1.212 . . . . 0.0 109.533 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.611 ' HG3' HD13 ' A' ' 35' ' ' LEU . 0.9 OUTLIER -49.82 -49.4 49.07 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.175 -0.953 . . . . 0.0 108.901 179.839 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.529 ' O ' ' CB ' ' A' ' 41' ' ' SER . 13.3 mt -88.72 -103.6 0.09 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.128 -0.983 . . . . 0.0 108.743 179.417 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.529 ' CB ' ' O ' ' A' ' 40' ' ' LEU . 0.4 OUTLIER 81.23 -42.0 0.16 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.249 -0.907 . . . . 0.0 110.666 179.254 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -67.42 -14.81 63.26 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.957 -1.089 . . . . 0.0 109.91 -179.575 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -108.22 45.73 1.0 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.11 -0.994 . . . . 0.0 109.972 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 1.001 HD13 ' O ' ' A' ' 44' ' ' LEU . 2.8 tm? -127.35 -6.29 5.91 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.172 -0.955 . . . . 0.0 109.524 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.45 ' HG2' ' OE1' ' A' ' 46' ' ' GLU . 25.4 pt-20 -104.08 17.54 23.89 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.975 -1.078 . . . . 0.0 109.764 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.589 ' C ' HD12 ' A' ' 47' ' ' ILE . 2.5 pm0 -150.12 83.47 1.38 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.122 -0.986 . . . . 0.0 109.39 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.589 HD12 ' C ' ' A' ' 46' ' ' GLU . 1.6 mp -151.48 138.57 13.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.372 -0.83 . . . . 0.0 109.387 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.527 ' N ' ' HB2' ' A' ' 85' ' ' HIS . 3.1 ttpt -99.28 -21.12 16.21 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.213 -0.929 . . . . 0.0 108.803 179.658 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.543 ' HB3' ' CG2' ' A' ' 52' ' ' VAL . 4.0 mm-40 -84.43 69.05 10.48 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.298 -0.876 . . . . 0.0 109.06 179.667 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.562 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 39.7 tt0 -53.38 -22.24 7.21 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.233 -0.917 . . . . 0.0 109.211 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.503 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 2.4 mt-10 -80.11 -34.91 37.53 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.09 -1.006 . . . . 0.0 110.045 -179.721 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.543 ' CG2' ' HB3' ' A' ' 49' ' ' GLU . 61.1 t -69.22 -48.03 70.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 120.979 -1.076 . . . . 0.0 109.702 -179.764 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.611 HG22 HG12 ' A' ' 80' ' ' VAL . 44.5 t -76.87 -34.08 22.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.126 -0.984 . . . . 0.0 109.513 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.562 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 15.4 t70 -80.18 -14.5 58.41 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.242 -0.911 . . . . 0.0 109.145 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.527 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 1.4 tmtm? -80.28 -38.24 31.22 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 120.971 -1.081 . . . . 0.0 108.564 179.507 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.668 HG21 HG13 ' A' ' 80' ' ' VAL . 2.5 m -81.45 -32.19 11.76 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 178.246 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.25 -23.69 47.22 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.625 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.539 ' HG3' ' N ' ' A' ' 59' ' ' THR . 23.1 pt-20 -80.37 -44.06 20.05 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.185 -0.947 . . . . 0.0 108.872 179.738 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.539 ' N ' ' HG3' ' A' ' 58' ' ' GLU . 0.2 OUTLIER -71.67 -28.57 63.83 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 178.94 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.763 HD22 ' HB2' ' A' ' 33' ' ' LYS . 11.4 mt -69.71 -54.15 15.18 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.585 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -80.55 -8.73 59.69 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.62 -0.675 . . . . 0.0 109.929 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.5 ' HB2' ' O ' ' A' ' 58' ' ' GLU . 4.2 tt0 -71.43 -66.05 0.67 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.121 -0.987 . . . . 0.0 109.522 -179.682 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -84.07 -58.34 2.81 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.331 -0.856 . . . . 0.0 109.779 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.412 ' H ' ' HD3' ' A' ' 29' ' ' LYS . . . 84.82 -16.22 38.07 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.726 -1.35 . . . . 0.0 109.726 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -133.12 74.8 1.58 Allowed 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.233 -1.157 . . . . 0.0 109.56 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.489 ' O ' ' HG2' ' A' ' 28' ' ' LYS . . . -139.84 161.25 26.28 Favored Glycine 0 N--CA 1.488 2.151 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.515 ' HA ' ' HG3' ' A' ' 28' ' ' LYS . 3.0 mp0 -97.84 148.61 23.23 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.228 -1.16 . . . . 0.0 109.935 -179.617 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.52 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 2.8 m -128.11 174.66 9.04 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.432 -0.792 . . . . 0.0 108.943 179.537 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -120.99 -151.99 0.5 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.136 -0.977 . . . . 0.0 110.118 -179.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.583 ' CE1' ' O ' ' A' ' 25' ' ' HIS . 69.8 m-85 -92.41 -50.56 5.57 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.425 -0.797 . . . . 0.0 110.051 -179.346 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.456 ' HG2' ' OG1' ' B' ' 82' ' ' THR . 39.3 mt-30 -67.83 -16.11 63.94 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.184 -0.947 . . . . 0.0 108.974 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.453 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 0.6 OUTLIER -81.77 -58.98 2.76 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.289 -0.882 . . . . 0.0 108.756 179.137 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -21.58 65.7 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 179.188 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.822 ' HG3' HG21 ' B' ' 82' ' ' THR . 20.9 mmm -80.75 -55.02 5.11 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.52 -0.738 . . . . 0.0 109.608 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.452 ' O ' ' HG3' ' A' ' 79' ' ' MET . . . -68.33 -12.94 61.87 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.286 -0.884 . . . . 0.0 108.717 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.634 ' CD2' HD21 ' A' ' 32' ' ' LEU . 0.7 OUTLIER -79.95 -44.68 19.86 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 179.311 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.697 HG12 ' CE ' ' B' ' 7' ' ' MET . 55.8 t -63.22 -27.05 42.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.425 -0.797 . . . . 0.0 109.392 179.603 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.554 ' HA ' ' CE ' ' B' ' 7' ' ' MET . 0.0 OUTLIER -77.05 -49.42 15.39 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.241 -0.912 . . . . 0.0 110.411 -179.566 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.493 ' HB3' ' CG1' ' A' ' 52' ' ' VAL . 0.7 OUTLIER -50.14 -41.8 49.53 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.056 -1.027 . . . . 0.0 110.515 -179.285 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.738 HG21 HG21 ' A' ' 36' ' ' ILE . 2.5 m -80.38 -42.73 21.51 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.066 -1.021 . . . . 0.0 111.073 -178.72 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.439 ' OG1' ' HE2' ' B' ' 7' ' ' MET . 2.0 m -73.08 -6.0 42.72 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.813 -1.179 . . . . 0.0 109.844 -179.393 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.804 HG21 ' HG3' ' B' ' 74' ' ' MET . 75.2 p -138.38 18.57 2.75 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.131 -0.981 . . . . 0.0 109.221 179.647 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.542 ' O ' ' CB ' ' A' ' 84' ' ' CYS . . . -49.71 -53.03 27.15 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.319 -0.863 . . . . 0.0 109.22 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.542 ' CB ' ' O ' ' A' ' 83' ' ' ALA . 0.7 OUTLIER 161.51 -173.14 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.194 -0.941 . . . . 0.0 110.32 179.608 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.527 ' HB2' ' N ' ' A' ' 48' ' ' LYS . 1.5 t-160 76.71 -158.39 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.56 -0.713 . . . . 0.0 109.667 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -84.11 85.36 7.36 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.296 -0.877 . . . . 0.0 108.894 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.468 ' CE2' ' CD1' ' A' ' 88' ' ' PHE . 22.6 p90 -112.88 19.31 17.44 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.255 -0.903 . . . . 0.0 109.331 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.983 ' CZ ' HG23 ' B' ' 11' ' ' ILE . 0.3 OUTLIER -130.34 -5.42 4.29 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.531 -0.731 . . . . 0.0 109.652 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 88' ' ' PHE . 37.2 tt0 41.98 53.24 4.22 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.284 -0.885 . . . . 0.0 109.72 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 31.6 p80 -76.11 -29.03 57.71 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.217 -0.927 . . . . 0.0 109.522 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 117.949 -1.024 . . . . 0.0 109.506 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 1' ' ' SER . . . . . 0.473 ' O ' ' CG ' ' B' ' 5' ' ' LYS . 0.9 OUTLIER -123.53 173.26 8.15 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.347 -0.845 . . . . 0.0 109.705 -179.88 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.81 ' HB3' HG22 ' A' ' 13' ' ' VAL . 0.8 OUTLIER -80.35 -45.24 18.11 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.353 -0.842 . . . . 0.0 109.638 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.613 HD13 HG11 ' A' ' 13' ' ' VAL . 9.0 tp -79.84 -43.85 21.61 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.146 -0.971 . . . . 0.0 109.988 -179.645 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.55 ' O ' ' CG2' ' B' ' 8' ' ' VAL . 7.9 tt0 -61.82 -44.46 96.8 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.002 -1.061 . . . . 0.0 110.126 -179.313 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.473 ' CG ' ' O ' ' B' ' 1' ' ' SER . 1.7 pttt -70.83 -35.99 72.71 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.711 -1.243 . . . . 0.0 110.091 -179.519 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.484 ' HB2' ' HB1' ' A' ' 9' ' ' ALA . . . -80.55 -69.97 0.56 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.123 -0.986 . . . . 0.0 110.274 -179.371 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 7' ' ' MET . . . . . 0.697 ' CE ' HG12 ' A' ' 77' ' ' VAL . 4.3 tpt -45.84 -51.54 12.78 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.447 -0.783 . . . . 0.0 110.197 -179.329 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.55 ' CG2' ' O ' ' B' ' 4' ' ' GLU . 23.1 t -61.26 -34.89 62.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.212 -0.93 . . . . 0.0 109.407 -179.29 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.502 ' HB1' ' HB2' ' A' ' 6' ' ' ALA . . . -55.62 -38.66 69.78 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.074 -1.016 . . . . 0.0 108.843 179.3 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.688 HD22 ' SD ' ' B' ' 74' ' ' MET . 0.5 OUTLIER -58.73 -52.3 66.3 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.279 -0.888 . . . . 0.0 108.712 179.427 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.983 HG23 ' CZ ' ' A' ' 88' ' ' PHE . 1.1 mp -49.06 -36.94 9.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 179.292 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -55.45 -50.99 68.4 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.401 -0.812 . . . . 0.0 109.507 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.839 HG22 ' HB3' ' A' ' 2' ' ' GLU . 46.5 t -49.49 -36.62 10.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.39 -0.819 . . . . 0.0 109.942 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.501 ' HB3' ' CE2' ' A' ' 88' ' ' PHE . 2.2 t80 -58.1 -44.47 87.69 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.145 -0.972 . . . . 0.0 109.697 -179.65 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -80.7 -7.52 59.36 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.197 -0.939 . . . . 0.0 109.546 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.465 ' HB2' ' HA ' ' B' ' 13' ' ' VAL . 0.6 OUTLIER -83.35 -26.5 30.47 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.303 -0.873 . . . . 0.0 109.409 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.467 ' CD1' HD21 ' B' ' 35' ' ' LEU . 43.1 m-85 -106.67 -53.04 2.68 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.294 -0.879 . . . . 0.0 109.537 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.441 ' O ' ' O ' ' B' ' 21' ' ' GLU . 0.2 OUTLIER -48.31 -56.7 7.39 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.21 -0.931 . . . . 0.0 109.365 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 19' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' B' ' 18' ' ' SER . . . -45.05 -57.91 5.25 Favored Glycine 0 N--CA 1.489 2.171 0 N-CA-C 109.407 -1.477 . . . . 0.0 109.407 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 42.8 mtp180 -50.77 -91.45 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.244 -1.15 . . . . 0.0 109.455 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.441 ' O ' ' O ' ' B' ' 18' ' ' SER . 0.6 OUTLIER -107.91 -162.24 0.82 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.269 -0.895 . . . . 0.0 109.428 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 73.2 -149.51 42.56 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.44 ' HB2' ' HB2' ' B' ' 26' ' ' LYS . 0.5 OUTLIER -91.59 -172.76 3.34 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.316 -1.108 . . . . 0.0 109.503 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.518 ' O ' ' ND1' ' B' ' 25' ' ' HIS . 1.2 mmtt -76.84 -35.27 57.63 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.21 -0.931 . . . . 0.0 109.41 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 25' ' ' HIS . . . . . 0.575 ' O ' ' CE1' ' B' ' 70' ' ' PHE . 23.4 m-70 -147.03 35.36 0.91 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.284 -0.885 . . . . 0.0 109.409 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.442 ' HG2' ' C ' ' B' ' 25' ' ' HIS . 6.7 mttm -137.16 145.45 43.78 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.265 -0.897 . . . . 0.0 109.165 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.512 ' O ' ' CB ' ' B' ' 68' ' ' CYS . 0.1 OUTLIER -115.75 137.09 52.43 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.156 -0.965 . . . . 0.0 109.007 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.53 ' HG3' ' HA ' ' B' ' 67' ' ' GLU . 0.1 OUTLIER -88.61 174.29 8.14 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.959 -1.088 . . . . 0.0 109.946 -179.311 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.651 ' HB2' HD23 ' B' ' 60' ' ' LEU . 6.4 ptpt -76.35 -15.82 59.88 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.334 -0.854 . . . . 0.0 109.788 -179.642 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.46 -44.13 19.74 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.044 -1.035 . . . . 0.0 108.607 179.196 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.484 ' O ' ' HG2' ' B' ' 34' ' ' GLU . 4.5 tt0 -80.45 -17.29 52.14 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 178.814 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.63 HD21 ' CD2' ' B' ' 76' ' ' PHE . 19.2 tp -80.14 -41.85 24.63 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 178.636 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.765 ' HB2' HD22 ' B' ' 60' ' ' LEU . 10.6 tttt -59.34 -43.69 92.72 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 178.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.541 ' O ' ' CB ' ' B' ' 38' ' ' ASN . 13.6 pt-20 -71.96 -36.73 69.95 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 179.423 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.663 HD11 HG11 ' B' ' 13' ' ' VAL . 0.1 OUTLIER -50.9 -42.44 59.31 Favored 'General case' 0 C--N 1.297 -1.679 0 O-C-N 121.78 -0.575 . . . . 0.0 109.578 179.87 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.749 HG21 HG21 ' B' ' 80' ' ' VAL . 0.3 OUTLIER -81.54 -57.23 4.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.268 -0.895 . . . . 0.0 110.324 -179.473 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -68.52 -0.7 5.37 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.196 -0.94 . . . . 0.0 111.161 -178.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.541 ' CB ' ' O ' ' B' ' 34' ' ' GLU . 21.2 t-20 -111.01 -77.01 0.59 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.797 -1.189 . . . . 0.0 109.591 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.609 ' HG3' HD13 ' B' ' 35' ' ' LEU . 0.9 OUTLIER -49.73 -49.47 47.84 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.162 -0.961 . . . . 0.0 109.015 179.698 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.543 ' O ' ' CB ' ' B' ' 41' ' ' SER . 13.4 mt -88.66 -103.56 0.08 Allowed 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.098 -1.001 . . . . 0.0 108.855 179.324 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.543 ' CB ' ' O ' ' B' ' 40' ' ' LEU . 0.4 OUTLIER 81.21 -42.0 0.16 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.227 -0.921 . . . . 0.0 110.653 179.169 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 80.9 m-70 -67.41 -14.7 63.16 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.882 -1.136 . . . . 0.0 109.934 -179.628 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -108.47 45.85 1.0 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.176 -0.952 . . . . 0.0 109.808 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 1.014 HD13 ' O ' ' B' ' 44' ' ' LEU . 2.8 tm? -127.46 -6.22 5.85 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.3 -0.875 . . . . 0.0 109.399 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.455 ' HG2' ' OE1' ' B' ' 46' ' ' GLU . 25.4 pt-20 -104.07 17.53 23.91 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.943 -1.098 . . . . 0.0 109.748 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.589 ' C ' HD12 ' B' ' 47' ' ' ILE . 2.4 pm0 -150.12 83.35 1.38 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.305 -0.872 . . . . 0.0 109.308 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.589 HD12 ' C ' ' B' ' 46' ' ' GLU . 1.6 mp -151.43 138.36 13.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.292 -0.88 . . . . 0.0 109.389 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.533 ' N ' ' HB2' ' B' ' 85' ' ' HIS . 3.1 ttpt -99.1 -21.12 16.33 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.226 -0.921 . . . . 0.0 108.893 179.581 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.544 ' HB3' ' CG2' ' B' ' 52' ' ' VAL . 4.0 mm-40 -84.45 69.03 10.48 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.285 -0.885 . . . . 0.0 109.074 179.684 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 50' ' ' GLN . . . . . 0.551 ' O ' ' CB ' ' B' ' 54' ' ' ASP . 39.4 tt0 -53.44 -22.1 7.2 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.262 -0.899 . . . . 0.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.499 ' O ' ' HB2' ' B' ' 55' ' ' LYS . 2.4 mt-10 -80.17 -34.9 37.18 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.161 -0.962 . . . . 0.0 110.02 -179.763 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.544 ' CG2' ' HB3' ' B' ' 49' ' ' GLU . 61.1 t -69.3 -47.86 71.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.019 -1.051 . . . . 0.0 109.66 -179.687 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.617 HG22 HG12 ' B' ' 80' ' ' VAL . 44.1 t -77.02 -34.03 21.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.136 -0.978 . . . . 0.0 109.415 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 54' ' ' ASP . . . . . 0.551 ' CB ' ' O ' ' B' ' 50' ' ' GLN . 15.4 t70 -80.1 -14.61 58.37 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.202 -0.936 . . . . 0.0 109.213 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.535 ' O ' ' HG2' ' B' ' 58' ' ' GLU . 1.4 tmtm? -80.19 -38.24 31.62 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.959 -1.088 . . . . 0.0 108.568 179.503 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.653 HG21 HG13 ' B' ' 80' ' ' VAL . 2.5 m -81.49 -32.23 11.71 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 178.343 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.19 -23.77 47.44 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 58' ' ' GLU . . . . . 0.538 ' HG3' ' N ' ' B' ' 59' ' ' THR . 23.0 pt-20 -80.28 -44.06 20.26 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.151 -0.968 . . . . 0.0 108.979 179.683 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 59' ' ' THR . . . . . 0.538 ' N ' ' HG3' ' B' ' 58' ' ' GLU . 0.2 OUTLIER -71.63 -28.62 63.9 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 178.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.765 HD22 ' HB2' ' B' ' 33' ' ' LYS . 11.4 mt -69.62 -54.15 15.36 Favored 'General case' 0 C--N 1.303 -1.419 0 CA-C-O 121.536 0.684 . . . . 0.0 109.33 179.598 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -80.52 -8.75 59.69 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.561 -0.712 . . . . 0.0 109.843 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.504 ' HB2' ' O ' ' B' ' 58' ' ' GLU . 4.2 tt0 -71.46 -66.05 0.67 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.131 -0.981 . . . . 0.0 109.611 -179.627 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -84.0 -58.34 2.82 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.264 -0.898 . . . . 0.0 109.664 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 64' ' ' GLY . . . . . 0.415 ' H ' ' HD3' ' B' ' 29' ' ' LYS . . . 84.78 -16.23 37.79 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 -179.784 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -133.07 74.81 1.59 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.197 -1.178 . . . . 0.0 109.579 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.493 ' O ' ' HG2' ' B' ' 28' ' ' LYS . . . -139.97 161.21 26.33 Favored Glycine 0 N--CA 1.489 2.192 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.53 ' HA ' ' HG3' ' B' ' 28' ' ' LYS . 2.9 mp0 -97.7 148.64 23.13 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.261 -1.141 . . . . 0.0 110.04 -179.606 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.512 ' CB ' ' O ' ' B' ' 27' ' ' LEU . 2.8 m -128.12 174.65 9.06 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.39 -0.819 . . . . 0.0 108.865 179.612 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -121.0 -151.98 0.5 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.153 -0.967 . . . . 0.0 110.103 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.575 ' CE1' ' O ' ' B' ' 25' ' ' HIS . 69.9 m-85 -92.38 -50.56 5.58 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.328 -0.858 . . . . 0.0 110.047 -179.348 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.443 ' HG2' ' OG1' ' A' ' 82' ' ' THR . 39.3 mt-30 -67.83 -16.14 63.96 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.105 -0.997 . . . . 0.0 108.854 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.451 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 0.6 OUTLIER -81.81 -58.97 2.76 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 179.201 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -62.54 -21.65 65.71 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 179.237 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.804 ' HG3' HG21 ' A' ' 82' ' ' THR . 20.9 mmm -80.71 -55.06 5.09 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.472 -0.767 . . . . 0.0 109.601 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.456 ' O ' ' HG3' ' B' ' 79' ' ' MET . . . -68.23 -12.93 61.8 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.63 ' CD2' HD21 ' B' ' 32' ' ' LEU . 0.7 OUTLIER -79.96 -44.65 19.89 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.426 -0.796 . . . . 0.0 108.958 179.287 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.733 HG12 ' HE2' ' A' ' 7' ' ' MET . 55.7 t -63.23 -27.07 42.38 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.287 -0.883 . . . . 0.0 109.453 179.533 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 78' ' ' SER . . . . . 0.543 ' HA ' ' CE ' ' A' ' 7' ' ' MET . 0.0 OUTLIER -76.96 -49.59 15.16 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.216 -0.928 . . . . 0.0 110.285 -179.549 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 79' ' ' MET . . . . . 0.493 ' HB3' ' CG1' ' B' ' 52' ' ' VAL . 0.7 OUTLIER -50.19 -41.68 49.92 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.139 -0.975 . . . . 0.0 110.543 -179.155 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.749 HG21 HG21 ' B' ' 36' ' ' ILE . 2.5 m -80.37 -42.76 21.55 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 120.984 -1.073 . . . . 0.0 111.117 -178.809 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 1.9 m -73.12 -6.09 43.38 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.755 -1.215 . . . . 0.0 109.909 -179.376 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.822 HG21 ' HG3' ' A' ' 74' ' ' MET . 75.0 p -138.24 18.57 2.77 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.226 -0.921 . . . . 0.0 109.278 179.56 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.549 ' O ' ' CB ' ' B' ' 84' ' ' CYS . . . -49.68 -52.95 27.39 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.274 -0.891 . . . . 0.0 109.193 179.762 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 84' ' ' CYS . . . . . 0.549 ' CB ' ' O ' ' B' ' 83' ' ' ALA . 0.7 OUTLIER 161.46 -173.16 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.227 -0.921 . . . . 0.0 110.346 179.646 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 85' ' ' HIS . . . . . 0.533 ' HB2' ' N ' ' B' ' 48' ' ' LYS . 1.5 t-160 76.62 -158.22 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.508 -0.745 . . . . 0.0 109.774 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -84.28 85.44 7.37 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.412 -0.805 . . . . 0.0 108.86 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 87' ' ' PHE . . . . . 0.465 ' CE2' ' CD1' ' B' ' 88' ' ' PHE . 22.4 p90 -112.88 19.22 17.52 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.228 -0.92 . . . . 0.0 109.358 -179.73 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.953 ' CZ ' HG23 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -130.34 -5.46 4.29 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.393 -0.817 . . . . 0.0 109.712 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' B' ' 88' ' ' PHE . 37.0 tt0 42.0 53.2 4.26 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.2 -0.938 . . . . 0.0 109.783 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 31.6 p80 -76.05 -29.01 57.88 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.245 -0.909 . . . . 0.0 109.545 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 117.933 -1.032 . . . . 0.0 109.414 -179.874 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 0' ' ' MET . . . . . 0.493 ' N ' ' OE1' ' A' ' 4' ' ' GLU . 2.2 ptt? . . . . . 0 N--CA 1.488 1.471 0 CA-C-O 121.258 0.552 . . . . 0.0 109.571 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.493 ' OG ' ' HB3' ' A' ' 4' ' ' GLU . 21.2 p -94.74 -172.27 2.69 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.268 -0.895 . . . . 0.0 109.551 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.838 ' HB2' HG22 ' B' ' 13' ' ' VAL . 30.0 mm-40 -80.09 -42.48 23.53 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.206 -0.934 . . . . 0.0 109.659 -179.745 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.67 HD11 HD21 ' B' ' 10' ' ' LEU . 5.8 tp -80.0 -48.05 13.97 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.193 -0.942 . . . . 0.0 110.15 -179.566 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.548 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 8.0 tt0 -63.39 -38.69 92.14 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.053 -1.029 . . . . 0.0 110.137 -179.187 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.492 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 25.1 tptt -80.34 -38.27 30.89 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.855 -1.153 . . . . 0.0 109.837 -179.647 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.674 ' CB ' ' HB3' ' B' ' 9' ' ' ALA . . . -80.26 -65.86 0.95 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.206 -0.934 . . . . 0.0 109.861 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.743 ' HE2' HG12 ' B' ' 77' ' ' VAL . 9.9 tpt -46.59 -52.81 12.74 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.468 -0.77 . . . . 0.0 110.033 -179.695 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.548 ' CG2' ' O ' ' A' ' 4' ' ' GLU . 22.3 t -62.74 -32.63 56.34 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.537 0 O-C-N 121.311 -0.868 . . . . 0.0 109.552 -179.53 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.672 ' HB3' ' CB ' ' B' ' 6' ' ' ALA . . . -58.76 -43.9 90.43 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.185 -0.947 . . . . 0.0 108.45 179.209 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.665 HD21 HD11 ' B' ' 3' ' ' LEU . 0.3 OUTLIER -50.64 -45.79 57.94 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 179.043 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.481 HG23 ' CE1' ' B' ' 88' ' ' PHE . 0.1 OUTLIER -52.51 -42.69 40.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 178.938 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -52.71 -50.17 63.9 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.413 -0.804 . . . . 0.0 109.259 179.455 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.819 HG22 ' HB2' ' B' ' 2' ' ' GLU . 94.4 t -47.93 -35.26 4.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.374 -0.828 . . . . 0.0 109.59 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.575 ' HB3' ' CZ ' ' B' ' 88' ' ' PHE . 1.1 t80 -59.99 -44.71 94.34 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.063 -1.023 . . . . 0.0 109.723 -179.787 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 20.1 t-80 -65.32 -14.89 61.83 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.185 -0.947 . . . . 0.0 109.811 -179.618 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.0 tp60 -89.84 -61.82 1.61 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.1 -1.0 . . . . 0.0 109.959 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.464 ' O ' ' HB2' ' A' ' 20' ' ' ARG . 44.9 m-85 -69.06 -57.62 5.18 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.25 -0.906 . . . . 0.0 110.22 -179.399 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.466 ' O ' ' O ' ' A' ' 23' ' ' ASP . 4.9 t -65.25 -36.07 83.0 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.029 -1.044 . . . . 0.0 109.869 -179.567 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.27 -5.52 49.25 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.982 -1.247 . . . . 0.0 109.982 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.464 ' HB2' ' O ' ' A' ' 17' ' ' TYR . 9.6 mtt-85 -48.88 -39.34 25.5 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.126 -1.22 . . . . 0.0 109.72 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -136.45 -160.38 1.05 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.247 -0.908 . . . . 0.0 109.955 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.513 ' O ' ' N ' ' A' ' 24' ' ' LYS . . . -54.95 -34.4 57.73 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.714 -1.354 . . . . 0.0 109.714 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.466 ' O ' ' O ' ' A' ' 18' ' ' SER . 28.5 m-20 -47.07 93.74 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.297 -1.119 . . . . 0.0 109.4 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.513 ' N ' ' O ' ' A' ' 22' ' ' GLY . 23.5 mttm -106.54 12.65 29.25 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.262 -0.899 . . . . 0.0 109.487 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.578 ' HE2' ' HE1' ' B' ' 87' ' ' PHE . 0.1 OUTLIER -160.2 23.87 0.16 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.345 -0.847 . . . . 0.0 109.551 179.929 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.401 ' O ' ' OG ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -149.24 162.03 40.84 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.273 -0.892 . . . . 0.0 109.332 -179.909 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.481 ' O ' ' HB2' ' A' ' 67' ' ' GLU . 0.6 OUTLIER -136.18 -154.57 0.57 Allowed 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.379 -0.826 . . . . 0.0 108.794 179.467 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.524 ' HA ' ' HA ' ' A' ' 67' ' ' GLU . 0.7 OUTLIER -149.43 148.79 29.87 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.227 -0.921 . . . . 0.0 108.94 179.649 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.752 ' O ' HD22 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -58.66 -27.32 64.67 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.092 -1.005 . . . . 0.0 109.582 -179.778 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.553 ' N ' ' HG2' ' A' ' 29' ' ' LYS . 41.2 t -77.32 -38.58 50.17 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.16 -0.962 . . . . 0.0 109.953 -179.497 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.504 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 9.9 tt0 -78.64 -17.94 55.24 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 120.967 -1.083 . . . . 0.0 108.754 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.694 HD13 ' HB2' ' A' ' 73' ' ' PHE . 50.9 tp -81.1 -46.72 14.53 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 178.664 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.45 ' CG ' HD13 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -54.85 -43.0 72.67 Favored 'General case' 0 N--CA 1.486 1.374 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 178.845 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.558 ' HG3' ' N ' ' A' ' 35' ' ' LEU . 8.5 pt-20 -71.1 -41.63 70.35 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 179.187 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.558 ' N ' ' HG3' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -46.41 -42.59 15.38 Favored 'General case' 0 C--N 1.299 -1.587 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 179.348 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.965 ' CG2' HG21 ' A' ' 80' ' ' VAL . 0.6 OUTLIER -79.8 -61.3 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.316 -0.865 . . . . 0.0 109.76 -179.756 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.46 ' O ' ' CB ' ' A' ' 41' ' ' SER . 34.1 t-20 -67.33 -64.02 0.94 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.321 -0.862 . . . . 0.0 109.994 -179.327 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.488 ' HB3' ' O ' ' A' ' 34' ' ' GLU . 10.8 t30 -41.58 -51.38 3.96 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.352 -0.842 . . . . 0.0 110.592 -179.379 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.521 ' HB3' ' HB3' ' B' ' 3' ' ' LEU . 4.0 mm-40 -81.25 -83.41 0.11 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.998 -1.064 . . . . 0.0 110.813 -178.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.615 ' HG ' HD23 ' B' ' 3' ' ' LEU . 20.8 mt -46.77 -87.74 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.408 0 O-C-N 120.96 -1.087 . . . . 0.0 110.096 -179.045 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.46 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 0.4 OUTLIER 44.28 58.6 3.67 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.135 -0.978 . . . . 0.0 109.653 -179.778 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 -140.97 -66.78 0.42 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.111 -0.993 . . . . 0.0 109.624 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -62.92 -12.74 27.36 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.162 -0.961 . . . . 0.0 109.399 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.705 HD13 HD12 ' A' ' 47' ' ' ILE . 0.5 OUTLIER -62.83 88.25 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.282 -0.886 . . . . 0.0 109.7 -179.785 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -134.15 -58.18 0.85 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.352 -0.842 . . . . 0.0 109.058 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.469 ' O ' ' O ' ' A' ' 47' ' ' ILE . 44.8 mt-10 -115.91 -36.96 4.0 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.483 -0.761 . . . . 0.0 108.969 179.646 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.705 HD12 HD13 ' A' ' 44' ' ' LEU . 0.0 OUTLIER 59.33 121.43 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.414 -0.804 . . . . 0.0 109.527 179.653 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.445 ' O ' ' HD2' ' A' ' 48' ' ' LYS . 2.8 tmmm? -103.48 -21.39 13.79 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.165 -0.959 . . . . 0.0 109.372 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.538 ' OE1' HG23 ' A' ' 52' ' ' VAL . 8.0 mm-40 -104.62 65.29 0.76 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.273 -0.892 . . . . 0.0 109.222 179.797 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.532 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -52.26 -22.04 4.04 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.333 -0.854 . . . . 0.0 109.509 -179.9 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.463 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -79.82 -37.34 35.31 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.245 -0.909 . . . . 0.0 109.651 -179.836 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.66 HG13 ' HB3' ' A' ' 79' ' ' MET . 88.1 t -67.87 -47.57 78.82 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 121.221 -0.924 . . . . 0.0 109.463 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.589 HG21 HD11 ' A' ' 47' ' ' ILE . 94.6 t -74.2 -35.03 39.42 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.177 -0.952 . . . . 0.0 109.144 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.532 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 34.5 t70 -75.1 -17.32 60.47 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.279 -0.888 . . . . 0.0 108.932 179.425 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.463 ' HB2' ' O ' ' A' ' 51' ' ' GLU . 4.1 mtpt -79.49 -48.74 13.39 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.212 -0.93 . . . . 0.0 109.482 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.78 HG12 ' CE2' ' A' ' 76' ' ' PHE . 3.0 m -72.94 -36.04 50.48 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 O-C-N 121.172 -0.955 . . . . 0.0 109.153 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 48.4 tpp -72.33 -26.3 61.88 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.466 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 3.5 mt-10 -74.8 -49.87 19.22 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.199 -0.938 . . . . 0.0 108.783 179.416 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.9 m -65.08 -25.93 68.01 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 179.158 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.752 HD22 ' O ' ' A' ' 29' ' ' LYS . 10.6 mt -68.06 -53.67 23.89 Favored 'General case' 0 C--N 1.303 -1.418 0 CA-C-O 121.551 0.691 . . . . 0.0 109.283 179.427 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.89 -7.43 58.73 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.532 -0.73 . . . . 0.0 109.8 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' A' ' 58' ' ' GLU . 30.9 tt0 -80.69 -44.71 18.32 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.106 -0.996 . . . . 0.0 109.606 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.45 -73.18 0.39 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.351 -0.843 . . . . 0.0 109.508 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.466 ' HA2' ' HG3' ' A' ' 29' ' ' LYS . . . 63.32 11.16 38.81 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.741 -1.343 . . . . 0.0 109.741 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.592 ' N ' ' HD2' ' A' ' 29' ' ' LYS . 10.4 t0 -144.56 -29.52 0.47 Allowed 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.183 -1.186 . . . . 0.0 110.652 -179.385 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.483 ' O ' ' HD3' ' A' ' 29' ' ' LYS . . . -89.19 168.57 35.38 Favored Glycine 0 N--CA 1.488 2.113 0 C-N-CA 119.861 -1.161 . . . . 0.0 110.614 -178.634 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.524 ' HA ' ' HA ' ' A' ' 28' ' ' LYS . 9.4 pt-20 -101.15 168.59 9.48 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.641 -0.917 . . . . 0.0 109.987 -179.487 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 34.4 m -113.47 164.79 13.16 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.389 -0.819 . . . . 0.0 109.308 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -97.63 179.32 4.88 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.196 -0.94 . . . . 0.0 109.249 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.409 ' O ' ' HB2' ' A' ' 74' ' ' MET . 0.1 OUTLIER -80.72 -33.84 34.96 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.168 -0.957 . . . . 0.0 108.598 179.445 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.465 ' HG2' ' HB ' ' B' ' 82' ' ' THR . 11.5 mt-30 -79.78 -27.17 40.43 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 179.106 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.28 -53.96 8.67 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.329 -0.857 . . . . 0.0 108.892 179.405 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.694 ' HB2' HD13 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -63.07 -24.34 67.86 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 179.349 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.623 ' HE3' HD22 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -72.05 -50.13 30.97 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.591 -0.693 . . . . 0.0 109.533 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.521 ' O ' ' CG ' ' A' ' 79' ' ' MET . . . -72.25 -16.85 61.93 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.225 -0.922 . . . . 0.0 108.97 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.78 ' CE2' HG12 ' A' ' 56' ' ' VAL . 1.0 OUTLIER -78.95 -34.23 44.6 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.406 -0.809 . . . . 0.0 109.356 179.738 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.746 HG12 ' HE2' ' B' ' 7' ' ' MET . 76.5 t -72.41 -26.17 24.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.229 -0.919 . . . . 0.0 109.463 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.495 ' HA ' ' CE ' ' B' ' 7' ' ' MET . 0.8 OUTLIER -77.38 -46.71 21.9 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.303 -0.873 . . . . 0.0 110.342 -179.321 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.66 ' HB3' HG13 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -54.5 -52.68 61.17 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.162 -0.962 . . . . 0.0 109.415 -179.416 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.965 HG21 ' CG2' ' A' ' 36' ' ' ILE . 16.9 m -65.22 -44.03 95.24 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 O-C-N 121.433 -0.792 . . . . 0.0 110.634 -179.1 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.536 HG21 ' HG3' ' B' ' 7' ' ' MET . 13.0 m -70.23 -4.27 20.98 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.97 -1.081 . . . . 0.0 110.039 -179.338 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.464 ' HB ' ' HG2' ' B' ' 71' ' ' GLN . 62.6 p -128.14 9.2 6.2 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.009 -1.057 . . . . 0.0 109.722 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.477 ' CB ' HG23 ' A' ' 53' ' ' VAL . . . -80.51 -15.89 55.61 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.225 -0.922 . . . . 0.0 109.225 179.662 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 84.6 m -89.16 -175.51 4.82 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.217 -0.927 . . . . 0.0 109.327 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -125.36 -4.83 7.24 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.166 -0.959 . . . . 0.0 109.541 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -105.4 66.34 0.74 Allowed 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.189 -0.944 . . . . 0.0 109.695 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.645 ' CE1' ' CD2' ' A' ' 88' ' ' PHE . 0.1 OUTLIER -116.07 -2.24 12.29 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.274 -0.891 . . . . 0.0 109.579 179.683 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.645 ' CD2' ' CE1' ' A' ' 87' ' ' PHE . 23.1 m-85 -126.47 40.99 3.61 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.203 -0.936 . . . . 0.0 109.484 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.432 ' O ' ' CB ' ' A' ' 90' ' ' HIS . 1.6 mp0 -138.61 -90.82 0.21 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.144 -0.972 . . . . 0.0 109.639 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.432 ' CB ' ' O ' ' A' ' 89' ' ' GLU . 3.2 p-80 168.11 88.08 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.263 -0.898 . . . . 0.0 109.262 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 90' ' ' HIS . 1.3 tt0 . . . . . 0 N--CA 1.489 1.51 0 CA-C-O 118.054 -0.974 . . . . 0.0 109.476 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 0' ' ' MET . . . . . 0.498 ' N ' ' OE1' ' B' ' 4' ' ' GLU . 2.2 ptt? . . . . . 0 N--CA 1.489 1.503 0 CA-C-O 121.244 0.545 . . . . 0.0 109.55 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 1' ' ' SER . . . . . 0.492 ' OG ' ' HB3' ' B' ' 4' ' ' GLU . 21.3 p -94.7 -172.24 2.68 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.206 -0.934 . . . . 0.0 109.496 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.819 ' HB2' HG22 ' A' ' 13' ' ' VAL . 29.8 mm-40 -80.05 -42.62 23.38 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.279 -0.888 . . . . 0.0 109.699 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.665 HD11 HD21 ' A' ' 10' ' ' LEU . 5.8 tp -80.03 -47.98 14.03 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.289 -0.882 . . . . 0.0 110.024 -179.518 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.549 ' O ' ' CG2' ' B' ' 8' ' ' VAL . 8.0 tt0 -63.41 -38.7 92.15 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 120.977 -1.077 . . . . 0.0 110.152 -179.111 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.49 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 25.2 tptt -80.4 -38.21 30.73 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.897 -1.127 . . . . 0.0 109.799 -179.587 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.672 ' CB ' ' HB3' ' A' ' 9' ' ' ALA . . . -80.14 -65.98 0.94 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.251 -0.906 . . . . 0.0 109.847 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 7' ' ' MET . . . . . 0.746 ' HE2' HG12 ' A' ' 77' ' ' VAL . 9.9 tpt -46.62 -52.78 12.89 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.562 -0.711 . . . . 0.0 109.862 -179.589 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.549 ' CG2' ' O ' ' B' ' 4' ' ' GLU . 22.5 t -62.86 -32.61 56.51 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.567 0 O-C-N 121.345 -0.847 . . . . 0.0 109.5 -179.438 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.674 ' HB3' ' CB ' ' A' ' 6' ' ' ALA . . . -58.76 -43.83 90.42 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.05 -1.031 . . . . 0.0 108.509 179.12 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.67 HD21 HD11 ' A' ' 3' ' ' LEU . 0.3 OUTLIER -50.79 -45.61 59.25 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 179.074 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.494 HG23 ' CE1' ' A' ' 88' ' ' PHE . 0.1 OUTLIER -52.58 -42.65 40.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 178.908 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -52.8 -50.12 64.28 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.338 -0.851 . . . . 0.0 109.178 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.838 HG22 ' HB2' ' A' ' 2' ' ' GLU . 94.8 t -47.95 -35.23 4.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.535 -0.728 . . . . 0.0 109.663 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.555 ' HB3' ' CZ ' ' A' ' 88' ' ' PHE . 1.1 t80 -59.99 -44.71 94.34 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.101 -1.0 . . . . 0.0 109.71 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 20.1 t-80 -65.27 -14.92 61.86 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.186 -0.946 . . . . 0.0 109.839 -179.645 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 15.0 tp60 -89.86 -61.82 1.61 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.237 -0.915 . . . . 0.0 109.989 -179.581 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.472 ' O ' ' HB2' ' B' ' 20' ' ' ARG . 44.5 m-85 -69.02 -57.6 5.22 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.315 -0.866 . . . . 0.0 110.18 -179.417 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.466 ' O ' ' O ' ' B' ' 23' ' ' ASP . 4.9 t -65.34 -36.06 82.89 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.14 -0.975 . . . . 0.0 109.879 -179.549 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.34 -5.31 48.63 Favored Glycine 0 N--CA 1.492 2.43 0 N-CA-C 109.991 -1.244 . . . . 0.0 109.991 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.472 ' HB2' ' O ' ' B' ' 17' ' ' TYR . 9.5 mtt-85 -48.97 -39.38 26.29 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.217 -1.167 . . . . 0.0 109.666 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -136.46 -160.3 1.04 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.31 -0.869 . . . . 0.0 109.81 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' GLY . . . . . 0.514 ' O ' ' N ' ' B' ' 24' ' ' LYS . . . -55.09 -34.34 58.3 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.656 -1.378 . . . . 0.0 109.656 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.466 ' O ' ' O ' ' B' ' 18' ' ' SER . 28.4 m-20 -47.05 93.75 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.273 -1.133 . . . . 0.0 109.433 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.514 ' N ' ' O ' ' B' ' 22' ' ' GLY . 23.5 mttm -106.55 12.74 29.15 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.378 -0.826 . . . . 0.0 109.37 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 25' ' ' HIS . . . . . 0.593 ' HE2' ' HE1' ' A' ' 87' ' ' PHE . 0.1 OUTLIER -160.27 23.75 0.16 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.246 -0.909 . . . . 0.0 109.535 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.4 ' HB3' ' OE2' ' B' ' 67' ' ' GLU . 0.0 OUTLIER -149.13 162.09 40.67 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.191 -0.943 . . . . 0.0 109.42 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.491 ' O ' ' HB2' ' B' ' 67' ' ' GLU . 0.6 OUTLIER -136.24 -154.62 0.57 Allowed 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.356 -0.84 . . . . 0.0 108.849 179.507 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.519 ' HA ' ' HA ' ' B' ' 67' ' ' GLU . 0.7 OUTLIER -149.36 148.78 29.9 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.22 -0.925 . . . . 0.0 109.003 179.617 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.766 ' O ' HD22 ' B' ' 60' ' ' LEU . 0.0 OUTLIER -58.56 -27.29 64.44 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.137 -0.977 . . . . 0.0 109.723 -179.845 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.557 ' N ' ' HG2' ' B' ' 29' ' ' LYS . 41.0 t -77.41 -38.61 49.34 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.164 -0.96 . . . . 0.0 109.936 -179.514 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.507 ' O ' ' HG2' ' B' ' 34' ' ' GLU . 9.9 tt0 -78.68 -17.92 55.17 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.021 -1.049 . . . . 0.0 108.684 179.763 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.691 HD13 ' HB2' ' B' ' 73' ' ' PHE . 50.8 tp -81.07 -46.8 14.44 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 107.724 -1.213 . . . . 0.0 107.724 178.615 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.454 ' CG ' HD13 ' B' ' 60' ' ' LEU . 0.1 OUTLIER -54.81 -42.94 72.46 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 178.828 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.557 ' HG3' ' N ' ' B' ' 35' ' ' LEU . 8.6 pt-20 -71.06 -41.81 70.26 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 179.127 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.557 ' N ' ' HG3' ' B' ' 34' ' ' GLU . 0.2 OUTLIER -46.4 -42.64 15.39 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 179.412 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.962 ' CG2' HG21 ' B' ' 80' ' ' VAL . 0.6 OUTLIER -79.74 -61.22 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.351 -0.843 . . . . 0.0 109.816 -179.845 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.47 ' O ' ' HB2' ' B' ' 41' ' ' SER . 34.0 t-20 -67.44 -63.97 0.95 Allowed 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.241 -0.912 . . . . 0.0 109.956 -179.336 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.494 ' HB3' ' O ' ' B' ' 34' ' ' GLU . 10.8 t30 -41.6 -51.35 4.0 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.238 -0.914 . . . . 0.0 110.56 -179.381 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.514 ' HB3' ' HB3' ' A' ' 3' ' ' LEU . 4.0 mm-40 -81.35 -83.38 0.12 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.996 -1.065 . . . . 0.0 110.794 -178.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.616 ' HG ' HD23 ' A' ' 3' ' ' LEU . 20.8 mt -46.67 -87.94 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.956 -1.09 . . . . 0.0 110.079 -179.145 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.47 ' HB2' ' O ' ' B' ' 37' ' ' ASN . 0.4 OUTLIER 44.41 58.66 3.69 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.061 -1.024 . . . . 0.0 109.565 -179.809 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -141.03 -66.83 0.42 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.222 -0.923 . . . . 0.0 109.531 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -62.92 -12.74 27.31 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.192 -0.943 . . . . 0.0 109.473 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.717 HD13 HD12 ' B' ' 47' ' ' ILE . 0.5 OUTLIER -62.72 88.27 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.336 -0.853 . . . . 0.0 109.794 -179.857 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -134.21 -58.19 0.85 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.337 -0.852 . . . . 0.0 109.109 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.474 ' O ' ' O ' ' B' ' 47' ' ' ILE . 44.7 mt-10 -115.91 -36.94 4.0 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.474 -0.766 . . . . 0.0 108.985 179.653 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.717 HD12 HD13 ' B' ' 44' ' ' LEU . 0.0 OUTLIER 59.29 121.43 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.484 -0.76 . . . . 0.0 109.454 179.587 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.457 ' O ' ' HD2' ' B' ' 48' ' ' LYS . 2.8 tmmm? -103.41 -21.49 13.79 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.178 -0.951 . . . . 0.0 109.411 179.787 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.536 ' OE1' HG23 ' B' ' 52' ' ' VAL . 8.0 mm-40 -104.57 65.27 0.76 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.357 -0.84 . . . . 0.0 109.152 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 50' ' ' GLN . . . . . 0.536 ' O ' ' CB ' ' B' ' 54' ' ' ASP . 0.1 OUTLIER -52.24 -22.02 3.99 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.213 -0.929 . . . . 0.0 109.456 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.461 ' O ' ' HB2' ' B' ' 55' ' ' LYS . 0.0 OUTLIER -79.85 -37.36 35.12 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.183 -0.948 . . . . 0.0 109.666 -179.822 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.666 HG13 ' HB3' ' B' ' 79' ' ' MET . 88.2 t -67.91 -47.55 78.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.109 -0.994 . . . . 0.0 109.528 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.585 HG21 HD11 ' B' ' 47' ' ' ILE . 94.9 t -74.17 -35.09 39.77 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 O-C-N 121.167 -0.958 . . . . 0.0 109.209 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 54' ' ' ASP . . . . . 0.536 ' CB ' ' O ' ' B' ' 50' ' ' GLN . 34.5 t70 -75.05 -17.27 60.52 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.266 -0.896 . . . . 0.0 108.911 179.374 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.461 ' HB2' ' O ' ' B' ' 51' ' ' GLU . 4.0 mtpt -79.63 -48.71 13.28 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.233 -0.917 . . . . 0.0 109.42 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.772 HG12 ' CE2' ' B' ' 76' ' ' PHE . 3.0 m -72.85 -36.03 50.97 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 121.095 -1.003 . . . . 0.0 109.127 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 48.4 tpp -72.47 -26.26 61.74 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 179.649 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' GLU . . . . . 0.464 ' HB2' ' O ' ' B' ' 54' ' ' ASP . 3.5 mt-10 -74.73 -49.92 19.34 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.241 -0.912 . . . . 0.0 108.773 179.389 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 3.9 m -65.08 -25.95 68.02 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.145 -1.058 . . . . 0.0 108.145 179.139 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.766 HD22 ' O ' ' B' ' 29' ' ' LYS . 10.6 mt -68.08 -53.62 24.2 Favored 'General case' 0 C--N 1.303 -1.43 0 CA-C-O 121.482 0.658 . . . . 0.0 109.289 179.439 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.92 -7.42 58.75 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.636 -0.665 . . . . 0.0 109.837 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' B' ' 58' ' ' GLU . 30.8 tt0 -80.67 -44.71 18.36 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.201 -0.937 . . . . 0.0 109.609 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.43 -73.23 0.39 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.4 -0.813 . . . . 0.0 109.564 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 64' ' ' GLY . . . . . 0.457 ' HA2' ' HG3' ' B' ' 29' ' ' LYS . . . 63.32 11.2 39.03 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.814 -1.314 . . . . 0.0 109.814 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.595 ' N ' ' HD2' ' B' ' 29' ' ' LYS . 10.4 t0 -144.55 -29.51 0.47 Allowed 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.181 -1.187 . . . . 0.0 110.618 -179.403 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.483 ' O ' ' HD3' ' B' ' 29' ' ' LYS . . . -89.1 168.56 35.5 Favored Glycine 0 N--CA 1.487 2.045 0 C-N-CA 119.769 -1.205 . . . . 0.0 110.732 -178.673 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.519 ' HA ' ' HA ' ' B' ' 28' ' ' LYS . 9.4 pt-20 -101.15 168.56 9.5 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.562 -0.964 . . . . 0.0 110.046 -179.56 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 34.3 m -113.49 164.83 13.12 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.394 -0.816 . . . . 0.0 109.23 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -97.66 179.34 4.86 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.257 -0.902 . . . . 0.0 109.244 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.61 -33.95 35.47 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.231 -0.918 . . . . 0.0 108.583 179.417 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.464 ' HG2' ' HB ' ' A' ' 82' ' ' THR . 11.4 mt-30 -79.73 -27.25 40.62 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.317 -0.865 . . . . 0.0 108.687 179.154 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.35 -53.79 8.95 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.333 -0.854 . . . . 0.0 108.849 179.49 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.691 ' HB2' HD13 ' B' ' 32' ' ' LEU . 0.0 OUTLIER -63.14 -24.34 67.85 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 179.363 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.54 ' HE3' HD22 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -71.97 -50.31 29.93 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.58 -0.7 . . . . 0.0 109.46 -179.896 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.527 ' O ' ' CG ' ' B' ' 79' ' ' MET . . . -72.2 -16.7 61.95 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.133 -0.98 . . . . 0.0 109.002 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.772 ' CE2' HG12 ' B' ' 56' ' ' VAL . 1.0 OUTLIER -79.23 -34.06 43.13 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.443 -0.786 . . . . 0.0 109.298 179.757 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.743 HG12 ' HE2' ' A' ' 7' ' ' MET . 76.6 t -72.45 -26.2 23.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.383 -0.823 . . . . 0.0 109.405 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 78' ' ' SER . . . . . 0.484 ' HB3' ' HB3' ' A' ' 74' ' ' MET . 0.8 OUTLIER -77.37 -46.71 21.95 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.317 -0.865 . . . . 0.0 110.389 -179.312 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 79' ' ' MET . . . . . 0.666 ' HB3' HG13 ' B' ' 52' ' ' VAL . 0.0 OUTLIER -54.47 -52.73 60.95 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.106 -0.996 . . . . 0.0 109.389 -179.411 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.962 HG21 ' CG2' ' B' ' 36' ' ' ILE . 17.0 m -65.23 -44.02 95.21 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 O-C-N 121.358 -0.839 . . . . 0.0 110.623 -179.099 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.531 HG21 ' HG3' ' A' ' 7' ' ' MET . 13.5 m -70.23 -4.25 20.84 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.93 -1.106 . . . . 0.0 109.98 -179.363 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.465 ' HB ' ' HG2' ' A' ' 71' ' ' GLN . 59.6 p -128.15 9.2 6.2 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.952 -1.093 . . . . 0.0 109.716 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.47 ' CB ' HG23 ' B' ' 53' ' ' VAL . . . -80.57 -15.87 55.58 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.167 -0.958 . . . . 0.0 109.151 179.683 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 84.2 m -89.27 -175.53 4.8 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.357 -0.839 . . . . 0.0 109.357 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -125.19 -4.91 7.33 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.19 -0.944 . . . . 0.0 109.558 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -105.46 66.33 0.74 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.31 -0.869 . . . . 0.0 109.799 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 87' ' ' PHE . . . . . 0.653 ' CE1' ' CD2' ' B' ' 88' ' ' PHE . 0.1 OUTLIER -116.05 -2.24 12.3 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.171 -0.955 . . . . 0.0 109.586 179.75 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.653 ' CD2' ' CE1' ' B' ' 87' ' ' PHE . 23.1 m-85 -126.49 40.93 3.63 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.175 -0.953 . . . . 0.0 109.486 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.433 ' O ' ' CB ' ' B' ' 90' ' ' HIS . 1.6 mp0 -138.56 -90.86 0.21 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.19 -0.944 . . . . 0.0 109.654 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 90' ' ' HIS . . . . . 0.433 ' CB ' ' O ' ' B' ' 89' ' ' GLU . 3.2 p-80 168.1 88.11 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.257 -0.902 . . . . 0.0 109.261 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' B' ' 90' ' ' HIS . 1.3 tt0 . . . . . 0 N--CA 1.488 1.469 0 CA-C-O 118.003 -0.998 . . . . 0.0 109.481 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 3.5 ttt . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.492 ' CB ' ' CD ' ' B' ' 39' ' ' GLU . 1.4 t -121.7 168.7 11.5 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.143 -0.973 . . . . 0.0 109.584 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.919 ' HB3' HG22 ' B' ' 13' ' ' VAL . 2.4 tp10 -80.15 -37.14 34.03 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.34 -0.85 . . . . 0.0 109.465 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 1.055 HD22 HD12 ' B' ' 35' ' ' LEU . 16.8 tp -77.93 -51.17 10.83 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.361 -0.837 . . . . 0.0 109.708 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.62 ' HG3' HG21 ' A' ' 8' ' ' VAL . 25.5 tt0 -53.18 -51.06 63.28 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.359 -0.838 . . . . 0.0 110.096 -179.412 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.856 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -57.45 -35.0 69.56 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.116 -0.99 . . . . 0.0 110.568 -178.951 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.73 -71.06 0.48 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.001 -1.062 . . . . 0.0 110.395 -179.066 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' MET . . . . . 1.103 ' HE3' HG12 ' B' ' 77' ' ' VAL . 31.9 tpp -49.8 -53.67 23.9 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.273 -0.892 . . . . 0.0 109.675 -179.402 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.62 HG21 ' HG3' ' A' ' 4' ' ' GLU . 4.5 t -61.96 -28.17 43.82 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.535 0 O-C-N 121.442 -0.786 . . . . 0.0 109.802 -179.448 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.856 ' HB2' ' O ' ' A' ' 5' ' ' LYS . . . -66.24 -43.62 86.05 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.018 -1.051 . . . . 0.0 109.128 179.601 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.991 HD22 ' CE ' ' A' ' 74' ' ' MET . 0.2 OUTLIER -51.55 -43.93 62.51 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.251 -0.906 . . . . 0.0 108.731 179.719 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.759 HG23 ' CE1' ' B' ' 88' ' ' PHE . 96.7 mt -53.07 -42.0 43.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.247 -0.908 . . . . 0.0 108.773 179.216 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 13' ' ' VAL . 11.9 t70 -54.52 -55.72 26.21 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.319 -0.863 . . . . 0.0 109.483 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.917 HG22 ' HB3' ' B' ' 2' ' ' GLU . 28.3 t -43.17 -32.45 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.435 -0.79 . . . . 0.0 109.484 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.503 ' CZ ' HD23 ' A' ' 27' ' ' LEU . 1.1 t80 -63.74 -69.41 0.28 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.18 -0.95 . . . . 0.0 109.896 -179.523 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 4.1 t-160 -45.87 -24.51 0.4 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.138 -0.976 . . . . 0.0 109.891 -179.526 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.32 -52.52 12.0 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.112 -0.992 . . . . 0.0 109.73 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.685 ' CG ' HD21 ' A' ' 35' ' ' LEU . 27.2 m-85 -91.14 19.88 5.46 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.254 -0.904 . . . . 0.0 109.835 -179.619 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.4 t -104.29 -31.23 9.67 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.06 -1.025 . . . . 0.0 109.355 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.86 -32.36 57.03 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.597 -1.401 . . . . 0.0 109.597 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.6 mtt85 -56.17 -69.32 0.15 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.255 -1.144 . . . . 0.0 109.435 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.454 ' O ' ' O ' ' A' ' 22' ' ' GLY . 2.4 mt-10 -122.64 -164.62 1.2 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.295 -0.878 . . . . 0.0 109.472 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.454 ' O ' ' O ' ' A' ' 21' ' ' GLU . . . 50.66 178.61 0.02 OUTLIER Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.569 -1.412 . . . . 0.0 109.569 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -69.1 -158.18 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.322 0 O-C-N 121.173 -1.192 . . . . 0.0 109.487 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.401 ' C ' ' CG ' ' A' ' 25' ' ' HIS . 4.6 mmtt -94.32 5.51 51.55 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.262 -0.899 . . . . 0.0 109.64 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.406 ' C ' ' HG2' ' A' ' 26' ' ' LYS . 47.4 m80 -152.08 28.07 0.6 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.121 -0.987 . . . . 0.0 109.395 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.406 ' HG2' ' C ' ' A' ' 25' ' ' HIS . 1.9 mmmm -142.81 138.25 30.23 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.308 -0.87 . . . . 0.0 109.171 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.525 ' CD1' ' HB3' ' A' ' 31' ' ' GLU . 0.3 OUTLIER -94.5 -157.14 0.54 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.25 -0.906 . . . . 0.0 109.427 -179.916 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.549 ' HA ' ' HA ' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -150.39 167.57 26.68 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.547 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.561 ' HB3' ' O ' ' A' ' 64' ' ' GLY . 0.0 OUTLIER -76.16 -31.45 58.56 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.911 -1.118 . . . . 0.0 108.487 179.394 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.534 ' N ' ' HD2' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -79.11 -27.69 42.93 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.485 -0.759 . . . . 0.0 109.604 179.916 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.525 ' HB3' ' CD1' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -89.82 -22.09 22.26 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 179.393 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.874 HD13 ' HD2' ' A' ' 73' ' ' PHE . 2.6 tp -81.7 -37.61 27.09 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 178.783 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.436 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 8.4 tttt -65.41 -32.84 74.69 Favored 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 179.423 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.556 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 7.6 pt-20 -80.55 -39.03 28.49 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 179.303 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 1.07 HD12 HD22 ' B' ' 3' ' ' LEU . 0.1 OUTLIER -49.77 -51.68 37.46 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 179.419 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 1.019 HG21 HG21 ' A' ' 80' ' ' VAL . 0.1 OUTLIER -80.07 -52.46 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 CA-C-O 121.921 0.867 . . . . 0.0 109.597 -179.892 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -65.55 -1.19 2.42 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.228 -0.92 . . . . 0.0 111.461 -179.051 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.556 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 18.1 t30 -100.09 -43.92 6.17 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.712 -1.242 . . . . 0.0 109.302 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.565 ' CG ' ' HB2' ' B' ' 4' ' ' GLU . 42.9 tp10 -117.21 -36.66 3.71 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.314 -0.866 . . . . 0.0 109.381 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.783 ' CD2' HD23 ' B' ' 3' ' ' LEU . 0.2 OUTLIER -74.15 -19.59 60.51 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.441 -0.787 . . . . 0.0 109.919 -179.785 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.581 ' O ' HD13 ' A' ' 44' ' ' LEU . 0.2 OUTLIER -70.47 -9.47 56.62 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.373 -0.83 . . . . 0.0 109.865 -179.558 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -86.65 17.01 4.17 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.089 -1.007 . . . . 0.0 109.556 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.828 ' C ' HD12 ' A' ' 44' ' ' LEU . 38.4 m-85 -131.92 67.05 1.53 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.214 -0.929 . . . . 0.0 109.344 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.828 HD12 ' C ' ' A' ' 43' ' ' PHE . 5.8 mp -142.86 -122.91 0.09 Allowed 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.273 -0.892 . . . . 0.0 109.443 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.54 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 4.9 mt-10 68.49 6.79 5.61 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.874 -1.141 . . . . 0.0 109.308 -179.637 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.54 ' CG ' ' O ' ' A' ' 45' ' ' GLU . 13.8 mt-10 -164.8 29.67 0.06 Allowed 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.509 ' HA ' ' HA ' ' A' ' 84' ' ' CYS . 62.3 mt -42.06 125.19 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.456 -0.778 . . . . 0.0 110.007 -179.51 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -117.47 -46.4 2.68 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.416 -0.802 . . . . 0.0 109.266 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.884 ' OE1' HG23 ' A' ' 52' ' ' VAL . 12.7 mm-40 -77.25 80.4 3.76 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.143 -0.973 . . . . 0.0 108.998 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.485 ' O ' ' HB2' ' A' ' 54' ' ' ASP . 29.1 tt0 -64.28 -28.19 69.55 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.386 -0.821 . . . . 0.0 109.843 -179.656 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.74 -34.41 52.57 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.067 -1.021 . . . . 0.0 110.297 -179.25 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.884 HG23 ' OE1' ' A' ' 49' ' ' GLU . 90.6 t -71.69 -46.08 63.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.099 -1.0 . . . . 0.0 110.053 -179.475 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.467 ' O ' ' CB ' ' A' ' 57' ' ' MET . 97.0 t -77.53 -30.21 16.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.475 0 O-C-N 121.12 -0.988 . . . . 0.0 109.705 -179.698 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.524 ' O ' ' HB2' ' A' ' 58' ' ' GLU . 2.0 m-20 -80.94 -18.12 48.16 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.093 -1.005 . . . . 0.0 109.018 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -79.7 -44.59 20.54 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.025 -1.047 . . . . 0.0 109.388 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.891 HG12 ' CE2' ' A' ' 76' ' ' PHE . 3.2 m -80.25 -33.44 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 O-C-N 121.017 -1.052 . . . . 0.0 108.709 179.311 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.467 ' CB ' ' O ' ' A' ' 53' ' ' VAL . 0.1 OUTLIER -75.16 -22.27 58.2 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.724 -0.61 . . . . 0.0 109.545 179.832 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.524 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 4.4 mt-10 -80.03 -45.37 18.47 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.933 -1.104 . . . . 0.0 109.429 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 93.4 m -68.05 -27.54 66.6 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 179.055 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.7 mt -70.55 -61.99 1.56 Allowed 'General case' 0 C--N 1.304 -1.412 0 CA-C-O 121.504 0.668 . . . . 0.0 109.484 179.585 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.98 -7.57 54.01 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.815 -0.553 . . . . 0.0 110.307 -179.42 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' A' ' 58' ' ' GLU . 0.2 OUTLIER -72.91 -58.77 3.09 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.068 -1.02 . . . . 0.0 108.788 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.477 ' HB2' ' O ' ' A' ' 62' ' ' GLU . 27.6 t70 175.61 64.99 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.498 0 C-N-CA 119.926 -0.71 . . . . 0.0 109.474 179.653 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.595 ' O ' ' N ' ' A' ' 66' ' ' GLY . . . -91.18 19.97 43.21 Favored Glycine 0 N--CA 1.488 2.121 0 N-CA-C 108.853 -1.699 . . . . 0.0 108.853 179.446 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.528 ' N ' ' HE2' ' A' ' 29' ' ' LYS . 12.0 t70 -34.91 -25.18 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.919 -0.754 . . . . 0.0 111.174 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.595 ' N ' ' O ' ' A' ' 64' ' ' GLY . . . -86.43 171.16 43.46 Favored Glycine 0 N--CA 1.484 1.877 0 N-CA-C 109.351 -1.5 . . . . 0.0 109.351 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.549 ' HA ' ' HA ' ' A' ' 28' ' ' LYS . 14.6 mt-10 -76.06 157.84 32.51 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.543 -0.975 . . . . 0.0 110.745 -178.604 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.449 ' HB3' ' CG ' ' A' ' 72' ' ' GLU . 39.9 m -111.26 168.49 9.48 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 179.651 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -99.83 175.88 5.63 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.896 -1.127 . . . . 0.0 109.369 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.603 ' CZ ' HG12 ' A' ' 11' ' ' ILE . 11.0 t80 -75.3 -28.42 59.72 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.215 -0.928 . . . . 0.0 109.569 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.1 -30.99 55.6 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.324 -0.86 . . . . 0.0 110.207 -179.543 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.553 ' HG3' ' N ' ' A' ' 73' ' ' PHE . 1.4 pt-20 -76.93 -44.71 30.51 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 120.851 -1.156 . . . . 0.0 108.589 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.874 ' HD2' HD13 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -68.87 -21.46 64.26 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 178.836 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.991 ' CE ' HD22 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -76.03 -53.71 7.94 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.569 -0.707 . . . . 0.0 109.28 -179.895 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.526 ' O ' ' HG3' ' A' ' 79' ' ' MET . . . -71.56 -19.02 62.21 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.366 -0.834 . . . . 0.0 108.983 179.749 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.891 ' CE2' HG12 ' A' ' 56' ' ' VAL . 2.9 m-85 -80.42 -33.4 36.99 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.348 -0.845 . . . . 0.0 109.983 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 1.058 HG12 ' HE3' ' B' ' 7' ' ' MET . 77.0 t -76.71 -28.93 17.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 120.955 -1.091 . . . . 0.0 109.773 -179.537 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.572 ' HA ' ' HE1' ' B' ' 7' ' ' MET . 56.7 m -79.03 -34.51 43.84 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.138 -0.976 . . . . 0.0 110.009 -179.665 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.607 ' HB3' HG13 ' A' ' 52' ' ' VAL . 2.4 mmm -64.17 -45.66 87.44 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.154 -0.966 . . . . 0.0 109.95 -179.645 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 1.019 HG21 HG21 ' A' ' 36' ' ' ILE . 16.3 m -72.19 -42.24 66.69 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 O-C-N 121.179 -0.951 . . . . 0.0 110.57 -179.142 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.921 HG21 ' CG ' ' B' ' 7' ' ' MET . 5.8 m -62.32 -12.48 21.15 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.954 -1.091 . . . . 0.0 109.985 -179.481 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 69.9 p -114.4 -8.52 12.83 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.075 -1.016 . . . . 0.0 109.493 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.606 ' HB1' ' HB2' ' A' ' 49' ' ' GLU . . . -100.56 60.44 0.99 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.31 -0.869 . . . . 0.0 109.601 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.509 ' HA ' ' HA ' ' A' ' 47' ' ' ILE . 1.8 p -160.09 27.65 0.17 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.11 -0.993 . . . . 0.0 109.76 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 67.9 t60 48.36 40.11 13.89 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.288 -0.882 . . . . 0.0 109.601 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -110.89 46.61 1.05 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.26 -0.9 . . . . 0.0 109.218 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.592 ' CZ ' ' HB3' ' B' ' 70' ' ' PHE . 0.2 OUTLIER -69.38 100.42 1.36 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.403 -0.81 . . . . 0.0 109.696 -179.899 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.724 ' CE1' HG23 ' B' ' 11' ' ' ILE . 39.2 m-85 46.89 95.74 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.214 -0.929 . . . . 0.0 109.548 179.677 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.468 ' HG3' ' O ' ' A' ' 89' ' ' GLU . 2.7 tp10 -91.43 -1.74 57.48 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.301 -0.874 . . . . 0.0 109.811 -179.59 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 11.9 p80 -44.76 -26.3 0.38 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.161 -0.962 . . . . 0.0 109.91 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 22.9 tp10 . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 118.0 -1.0 . . . . 0.0 109.5 -179.92 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 3.5 ttt . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' SER . . . . . 0.438 ' CB ' ' CD ' ' A' ' 39' ' ' GLU . 1.4 t -121.78 168.81 11.4 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.25 -0.906 . . . . 0.0 109.537 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.917 ' HB3' HG22 ' A' ' 13' ' ' VAL . 2.4 tp10 -80.2 -37.11 33.86 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.264 -0.897 . . . . 0.0 109.548 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 1.07 HD22 HD12 ' A' ' 35' ' ' LEU . 16.7 tp -77.97 -51.2 10.75 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.416 -0.802 . . . . 0.0 109.653 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.602 ' HG3' HG21 ' B' ' 8' ' ' VAL . 25.4 tt0 -53.1 -51.08 63.01 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.403 -0.811 . . . . 0.0 110.125 -179.487 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.856 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 0.0 OUTLIER -57.58 -34.96 69.76 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.124 -0.985 . . . . 0.0 110.561 -178.865 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.401 ' HB1' ' N ' ' A' ' 10' ' ' LEU . . . -80.69 -71.04 0.48 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.103 -0.998 . . . . 0.0 110.463 -179.228 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 7' ' ' MET . . . . . 1.058 ' HE3' HG12 ' A' ' 77' ' ' VAL . 31.9 tpp -49.76 -53.79 22.93 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.312 -0.867 . . . . 0.0 109.608 -179.399 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.602 HG21 ' HG3' ' B' ' 4' ' ' GLU . 4.5 t -61.94 -28.12 43.69 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.51 0 O-C-N 121.485 -0.76 . . . . 0.0 109.82 -179.372 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.856 ' HB2' ' O ' ' B' ' 5' ' ' LYS . . . -66.24 -43.58 86.18 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.034 -1.041 . . . . 0.0 109.12 179.579 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.994 HD22 ' CE ' ' B' ' 74' ' ' MET . 0.2 OUTLIER -51.6 -43.88 62.65 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.229 -0.919 . . . . 0.0 108.687 179.759 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.724 HG23 ' CE1' ' A' ' 88' ' ' PHE . 96.7 mt -53.13 -42.05 44.39 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.317 -0.864 . . . . 0.0 108.754 179.246 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' B' ' 13' ' ' VAL . 11.9 t70 -54.49 -55.58 27.58 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.432 -0.793 . . . . 0.0 109.483 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.919 HG22 ' HB3' ' A' ' 2' ' ' GLU . 28.1 t -43.29 -32.46 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 121.559 -0.713 . . . . 0.0 109.469 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.5 ' CZ ' HD23 ' B' ' 27' ' ' LEU . 1.1 t80 -63.71 -69.35 0.28 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.354 -0.841 . . . . 0.0 109.922 -179.558 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 4.1 t-160 -45.91 -24.42 0.4 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.144 -0.973 . . . . 0.0 109.914 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.53 -52.34 12.15 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.138 -0.976 . . . . 0.0 109.751 -179.74 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.685 ' CG ' HD21 ' B' ' 35' ' ' LEU . 26.9 m-85 -91.2 19.88 5.52 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.233 -0.917 . . . . 0.0 109.811 -179.678 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 5.3 t -104.25 -31.22 9.69 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.132 -0.98 . . . . 0.0 109.383 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.03 -32.31 56.71 Favored Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.516 -1.434 . . . . 0.0 109.516 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 7.5 mtt85 -56.1 -69.36 0.15 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.313 -1.11 . . . . 0.0 109.477 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.446 ' O ' ' O ' ' B' ' 22' ' ' GLY . 2.4 mt-10 -122.62 -164.54 1.19 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.395 -0.816 . . . . 0.0 109.489 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 22' ' ' GLY . . . . . 0.446 ' O ' ' O ' ' B' ' 21' ' ' GLU . . . 50.69 178.6 0.03 OUTLIER Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -69.18 -158.22 0.02 OUTLIER 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.274 -1.133 . . . . 0.0 109.485 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 4.6 mmtt -94.31 5.5 51.57 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.227 -0.921 . . . . 0.0 109.577 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' HIS . . . . . 0.416 ' C ' ' HG2' ' B' ' 26' ' ' LYS . 47.1 m80 -152.05 28.02 0.6 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.233 -0.917 . . . . 0.0 109.45 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.416 ' HG2' ' C ' ' B' ' 25' ' ' HIS . 1.9 mmmm -142.78 138.19 30.25 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.244 -0.91 . . . . 0.0 109.148 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.521 HD22 ' HA ' ' B' ' 27' ' ' LEU . 0.3 OUTLIER -94.55 -157.16 0.54 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.283 -0.885 . . . . 0.0 109.487 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.555 ' HA ' ' HA ' ' B' ' 67' ' ' GLU . 0.0 OUTLIER -150.3 167.69 26.24 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 179.545 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.562 ' HB3' ' O ' ' B' ' 64' ' ' GLY . 0.0 OUTLIER -76.17 -31.59 58.6 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.963 -1.086 . . . . 0.0 108.426 179.399 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.528 ' N ' ' HD2' ' B' ' 29' ' ' LYS . 0.3 OUTLIER -79.03 -27.77 43.23 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.39 -0.819 . . . . 0.0 109.573 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.521 ' HB3' ' CD1' ' B' ' 27' ' ' LEU . 0.8 OUTLIER -89.78 -22.09 22.32 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 179.396 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.869 HD13 ' HD2' ' B' ' 73' ' ' PHE . 2.6 tp -81.73 -37.68 26.93 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 178.736 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.444 ' HB2' ' O ' ' B' ' 29' ' ' LYS . 8.4 tttt -65.37 -32.84 74.69 Favored 'General case' 0 N--CA 1.486 1.353 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 179.395 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.553 ' O ' ' CB ' ' B' ' 38' ' ' ASN . 7.5 pt-20 -80.6 -39.02 28.29 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 179.299 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 1.055 HD12 HD22 ' A' ' 3' ' ' LEU . 0.1 OUTLIER -49.81 -51.7 37.7 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.457 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.989 HG21 HG21 ' B' ' 80' ' ' VAL . 0.1 OUTLIER -79.99 -52.49 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 CA-C-O 121.888 0.851 . . . . 0.0 109.578 -179.906 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -65.51 -1.35 2.51 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.246 -0.909 . . . . 0.0 111.431 -179.035 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.553 ' CB ' ' O ' ' B' ' 34' ' ' GLU . 18.2 t30 -99.96 -43.9 6.22 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.68 -1.263 . . . . 0.0 109.372 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.542 ' CG ' ' HB2' ' A' ' 4' ' ' GLU . 43.0 tp10 -117.26 -36.63 3.71 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.37 -0.831 . . . . 0.0 109.343 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.833 ' CD2' HD23 ' A' ' 3' ' ' LEU . 0.2 OUTLIER -74.22 -19.64 60.45 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.366 -0.834 . . . . 0.0 109.788 -179.672 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.58 ' O ' HD13 ' B' ' 44' ' ' LEU . 0.2 OUTLIER -70.44 -9.5 56.62 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.255 -0.903 . . . . 0.0 109.921 -179.566 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -86.55 16.82 4.27 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.052 -1.03 . . . . 0.0 109.532 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' PHE . . . . . 0.812 ' C ' HD12 ' B' ' 44' ' ' LEU . 38.5 m-85 -131.86 67.19 1.53 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.314 -0.866 . . . . 0.0 109.339 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.812 HD12 ' C ' ' B' ' 43' ' ' PHE . 5.8 mp -142.89 -122.99 0.09 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.347 -0.846 . . . . 0.0 109.458 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.538 ' O ' ' CG ' ' B' ' 46' ' ' GLU . 4.9 mt-10 68.51 6.73 5.58 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.783 -1.198 . . . . 0.0 109.322 -179.604 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.538 ' CG ' ' O ' ' B' ' 45' ' ' GLU . 13.7 mt-10 -164.68 29.56 0.07 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.38 -0.825 . . . . 0.0 108.801 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.505 ' HA ' ' HA ' ' B' ' 84' ' ' CYS . 61.9 mt -41.88 125.12 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.475 -0.765 . . . . 0.0 110.01 -179.566 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -117.47 -46.29 2.68 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.362 -0.836 . . . . 0.0 109.317 179.69 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.886 ' OE1' HG23 ' B' ' 52' ' ' VAL . 12.6 mm-40 -77.29 80.38 3.79 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.159 -0.963 . . . . 0.0 109.004 179.6 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 50' ' ' GLN . . . . . 0.495 ' O ' ' HB2' ' B' ' 54' ' ' ASP . 29.0 tt0 -64.38 -28.0 69.39 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.368 -0.833 . . . . 0.0 109.87 -179.616 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.74 -34.36 52.58 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.12 -0.988 . . . . 0.0 110.314 -179.361 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.886 HG23 ' OE1' ' B' ' 49' ' ' GLU . 91.0 t -71.8 -46.0 63.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.078 -1.014 . . . . 0.0 110.023 -179.446 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.476 ' O ' ' HB2' ' B' ' 57' ' ' MET . 96.4 t -77.66 -30.16 16.64 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.065 -1.022 . . . . 0.0 109.645 -179.638 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 54' ' ' ASP . . . . . 0.528 ' O ' ' HB2' ' B' ' 58' ' ' GLU . 2.0 m-20 -80.94 -18.07 48.35 Favored 'General case' 0 C--N 1.303 -1.446 0 C-N-CA 119.232 -0.987 . . . . 0.0 108.988 179.599 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -79.76 -44.6 20.39 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.065 -1.022 . . . . 0.0 109.337 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.888 HG12 ' CE2' ' B' ' 76' ' ' PHE . 3.2 m -80.28 -33.38 14.08 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.357 0 O-C-N 120.979 -1.076 . . . . 0.0 108.69 179.378 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.476 ' HB2' ' O ' ' B' ' 53' ' ' VAL . 0.1 OUTLIER -75.18 -22.21 58.18 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.81 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 58' ' ' GLU . . . . . 0.528 ' HB2' ' O ' ' B' ' 54' ' ' ASP . 4.4 mt-10 -80.06 -45.44 18.29 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.942 -1.098 . . . . 0.0 109.317 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 92.8 m -68.17 -27.37 66.35 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 179.136 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 12.6 mt -70.64 -61.96 1.57 Allowed 'General case' 0 C--N 1.302 -1.497 0 CA-C-O 121.492 0.663 . . . . 0.0 109.458 179.544 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.1 -7.47 53.83 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.869 -0.519 . . . . 0.0 110.253 -179.395 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.511 ' CB ' ' O ' ' B' ' 58' ' ' GLU . 0.2 OUTLIER -72.94 -58.78 3.08 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.004 -1.06 . . . . 0.0 108.681 179.931 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.478 ' HB2' ' O ' ' B' ' 62' ' ' GLU . 27.7 t70 175.62 65.01 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.519 0 C-N-CA 119.976 -0.69 . . . . 0.0 109.494 179.682 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 64' ' ' GLY . . . . . 0.584 ' O ' ' N ' ' B' ' 66' ' ' GLY . . . -91.13 20.0 42.88 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 108.903 -1.679 . . . . 0.0 108.903 179.372 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.519 ' N ' ' HE2' ' B' ' 29' ' ' LYS . 12.0 t70 -34.97 -25.09 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.95 -0.735 . . . . 0.0 111.258 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.584 ' N ' ' O ' ' B' ' 64' ' ' GLY . . . -86.47 171.2 43.42 Favored Glycine 0 N--CA 1.483 1.83 0 N-CA-C 109.403 -1.479 . . . . 0.0 109.403 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.555 ' HA ' ' HA ' ' B' ' 28' ' ' LYS . 14.7 mt-10 -76.03 157.75 32.65 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.598 -0.943 . . . . 0.0 110.733 -178.601 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.446 ' HB3' ' CG ' ' B' ' 72' ' ' GLU . 39.6 m -111.23 168.54 9.43 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.698 -0.852 . . . . 0.0 108.698 179.594 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -99.74 175.87 5.65 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.819 -1.176 . . . . 0.0 109.349 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.602 ' CZ ' HG12 ' B' ' 11' ' ' ILE . 11.0 t80 -75.26 -28.36 59.78 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.313 -0.867 . . . . 0.0 109.597 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.14 -31.04 55.35 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.228 -0.92 . . . . 0.0 110.21 -179.557 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.566 ' HG3' ' N ' ' B' ' 73' ' ' PHE . 1.4 pt-20 -77.04 -44.59 30.22 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 120.935 -1.103 . . . . 0.0 108.452 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.869 ' HD2' HD13 ' B' ' 32' ' ' LEU . 0.1 OUTLIER -69.05 -21.39 64.1 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 178.914 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.994 ' CE ' HD22 ' B' ' 10' ' ' LEU . 0.1 OUTLIER -76.01 -53.65 8.04 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.627 -0.671 . . . . 0.0 109.374 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.51 ' O ' ' HG3' ' B' ' 79' ' ' MET . . . -71.66 -18.94 62.15 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.286 -0.884 . . . . 0.0 108.976 179.721 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.888 ' CE2' HG12 ' B' ' 56' ' ' VAL . 2.9 m-85 -80.46 -33.37 36.77 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.435 -0.791 . . . . 0.0 110.026 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 1.103 HG12 ' HE3' ' A' ' 7' ' ' MET . 77.5 t -76.61 -29.19 18.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.1 -1.0 . . . . 0.0 109.765 -179.594 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 78' ' ' SER . . . . . 0.699 ' HA ' ' HE1' ' A' ' 7' ' ' MET . 55.1 m -78.87 -34.48 44.89 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.191 -0.943 . . . . 0.0 110.091 -179.626 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 79' ' ' MET . . . . . 0.598 ' HB3' HG13 ' B' ' 52' ' ' VAL . 2.4 mmm -64.17 -45.59 87.73 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 121.032 -1.043 . . . . 0.0 110.01 -179.737 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.989 HG21 HG21 ' B' ' 36' ' ' ILE . 16.2 m -72.37 -42.16 65.13 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 O-C-N 121.268 -0.895 . . . . 0.0 110.572 -179.199 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.934 HG21 ' CG ' ' A' ' 7' ' ' MET . 5.8 m -62.26 -12.48 20.77 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.934 -1.104 . . . . 0.0 109.962 -179.544 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 69.0 p -114.41 -8.48 12.83 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.074 -1.016 . . . . 0.0 109.55 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.619 ' HB1' ' HB2' ' B' ' 49' ' ' GLU . . . -100.71 60.58 0.98 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.312 -0.867 . . . . 0.0 109.537 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 84' ' ' CYS . . . . . 0.505 ' HA ' ' HA ' ' B' ' 47' ' ' ILE . 1.8 p -160.12 27.51 0.17 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.16 -0.963 . . . . 0.0 109.861 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 67.6 t60 48.48 40.05 14.23 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.229 -0.919 . . . . 0.0 109.564 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -110.82 46.54 1.05 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.196 -0.94 . . . . 0.0 109.209 179.779 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 87' ' ' PHE . . . . . 0.578 ' CZ ' ' HB3' ' A' ' 70' ' ' PHE . 0.2 OUTLIER -69.39 100.4 1.36 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.293 -0.879 . . . . 0.0 109.725 -179.904 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.759 ' CE1' HG23 ' A' ' 11' ' ' ILE . 39.4 m-85 46.89 95.66 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.345 -0.847 . . . . 0.0 109.558 179.721 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' B' ' 89' ' ' GLU . 2.7 tp10 -91.33 -1.86 57.52 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.29 -0.881 . . . . 0.0 109.86 -179.624 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 90' ' ' HIS . . . . . 0.405 ' C ' ' O ' ' B' ' 89' ' ' GLU . 11.9 p80 -44.7 -26.25 0.37 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.087 -1.008 . . . . 0.0 109.916 -179.742 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 . . . . . 0 N--CA 1.492 1.659 0 CA-C-O 118.004 -0.998 . . . . 0.0 109.445 -179.887 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 0' ' ' MET . . . . . 0.41 ' SD ' ' N ' ' A' ' 0' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.2 t -136.48 162.78 32.12 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.19 -0.944 . . . . 0.0 109.645 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.761 ' HB3' HG22 ' B' ' 13' ' ' VAL . 0.0 OUTLIER -73.42 -57.01 4.31 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.29 -0.881 . . . . 0.0 109.444 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.871 HD22 HD12 ' B' ' 35' ' ' LEU . 9.0 tp -61.8 -38.08 86.76 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.305 -0.872 . . . . 0.0 109.726 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.55 ' HA ' ' CD2' ' B' ' 40' ' ' LEU . 1.2 tt0 -62.46 -53.61 52.36 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.12 -0.988 . . . . 0.0 110.198 -179.333 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.433 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 5.9 mttm -62.01 -36.61 82.05 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.855 -1.153 . . . . 0.0 110.7 -179.113 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.52 ' HB1' ' HB3' ' B' ' 9' ' ' ALA . . . -80.32 -70.43 0.52 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.064 -1.022 . . . . 0.0 110.453 -179.181 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' MET . . . . . 1.045 ' HE2' HG12 ' B' ' 77' ' ' VAL . 0.2 OUTLIER -45.99 -53.81 9.42 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.381 -0.824 . . . . 0.0 109.874 -179.389 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 4' ' ' GLU . 33.0 t -56.9 -36.71 51.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 C-N-CA 119.527 -0.869 . . . . 0.0 109.088 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.528 ' HB3' ' HB1' ' B' ' 6' ' ' ALA . . . -52.05 -43.06 63.61 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 179.092 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.56 HD22 ' SD ' ' A' ' 74' ' ' MET . 0.2 OUTLIER -51.82 -51.84 53.59 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 179.122 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.859 HG23 ' CD2' ' B' ' 88' ' ' PHE . 1.6 mp -49.59 -39.94 14.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 179.137 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -50.57 -51.13 51.03 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.353 -0.842 . . . . 0.0 109.239 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.75 HG22 ' HB3' ' B' ' 2' ' ' GLU . 43.9 t -55.0 -35.08 33.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.531 -0.73 . . . . 0.0 109.447 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.679 ' CE1' HD23 ' A' ' 27' ' ' LEU . 19.2 t80 -63.42 -37.74 88.46 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.218 -0.926 . . . . 0.0 109.649 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.44 ' O ' ' HA3' ' A' ' 19' ' ' GLY . 20.6 t-80 -75.6 -12.42 60.21 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.149 -0.969 . . . . 0.0 109.583 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.48 ' O ' ' HG3' ' A' ' 20' ' ' ARG . 7.3 tp-100 -86.96 -53.46 4.87 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.274 -0.891 . . . . 0.0 109.411 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.725 ' CD1' HD21 ' A' ' 35' ' ' LEU . 78.9 m-85 -76.27 -25.45 54.93 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.218 -0.927 . . . . 0.0 109.907 -179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.65 -9.59 20.78 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.087 -1.008 . . . . 0.0 109.495 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.461 ' O ' ' O ' ' A' ' 20' ' ' ARG . . . -87.63 -26.74 28.99 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.967 -1.253 . . . . 0.0 109.967 -179.786 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.48 ' HG3' ' O ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -61.18 -144.02 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.014 -1.286 . . . . 0.0 109.3 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.471 ' O ' ' O ' ' A' ' 20' ' ' ARG . 4.0 pm0 -59.59 -116.26 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.015 -1.053 . . . . 0.0 109.248 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.462 ' C ' ' O ' ' A' ' 21' ' ' GLU . . . 40.86 -100.31 0.01 OUTLIER Glycine 0 N--CA 1.494 2.502 0 N-CA-C 109.324 -1.51 . . . . 0.0 109.324 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.573 ' O ' ' CB ' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -175.62 -78.29 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.469 -1.019 . . . . 0.0 109.184 179.49 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.573 ' CB ' ' O ' ' A' ' 23' ' ' ASP . 0.7 OUTLIER 154.49 161.75 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.589 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.551 ' CE1' ' HE1' ' A' ' 70' ' ' PHE . 56.5 t-80 65.25 9.86 5.97 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.181 -0.949 . . . . 0.0 109.588 179.738 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.786 ' O ' HD22 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -145.29 160.69 41.12 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.062 -1.024 . . . . 0.0 109.98 -179.904 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.786 HD22 ' O ' ' A' ' 26' ' ' LYS . 0.6 OUTLIER -140.94 -161.11 1.16 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.414 -0.804 . . . . 0.0 109.058 179.922 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.24 163.37 37.84 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.189 -0.944 . . . . 0.0 109.623 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.49 ' HG3' ' HB3' ' A' ' 63' ' ' ASP . 19.4 mmtp -73.92 -27.01 60.82 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.379 -0.826 . . . . 0.0 109.429 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.59 -43.38 20.68 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.303 -0.873 . . . . 0.0 109.459 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.507 ' O ' ' HB2' ' A' ' 35' ' ' LEU . 2.5 tt0 -73.72 -25.07 60.02 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.236 -0.915 . . . . 0.0 108.592 179.586 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.485 ' O ' HG13 ' A' ' 36' ' ' ILE . 34.1 tp -77.65 -47.6 18.86 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 179.431 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.56 ' HB2' HD22 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -57.97 -43.08 86.29 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 179.16 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.583 ' HG3' ' N ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -71.57 -31.69 67.25 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 179.599 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.882 HD12 HD22 ' B' ' 3' ' ' LEU . 0.1 OUTLIER -58.31 -37.12 74.44 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.586 -0.696 . . . . 0.0 109.282 179.447 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.599 HG21 HG21 ' A' ' 80' ' ' VAL . 0.8 OUTLIER -80.32 -57.1 5.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.354 -0.841 . . . . 0.0 110.489 -179.369 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.536 ' O ' ' CB ' ' A' ' 41' ' ' SER . 35.5 t-20 -66.22 -63.03 1.17 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.245 -0.91 . . . . 0.0 110.548 -178.681 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.537 ' CB ' ' OE1' ' A' ' 34' ' ' GLU . 41.8 t30 -49.48 -55.73 12.24 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.931 -1.106 . . . . 0.0 110.791 -178.581 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.629 ' HG3' HD13 ' A' ' 35' ' ' LEU . 6.4 mm-40 -70.64 -75.27 0.12 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.058 -1.026 . . . . 0.0 111.232 -178.54 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.696 ' HG ' HD23 ' B' ' 3' ' ' LEU . 10.3 mt -61.41 -98.23 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.313 0 O-C-N 120.944 -1.097 . . . . 0.0 110.288 -178.762 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.536 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 15.3 t 40.81 41.0 1.08 Allowed 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.142 -0.973 . . . . 0.0 109.79 -179.598 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -113.16 -21.68 10.89 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.157 -0.964 . . . . 0.0 109.658 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -129.31 30.82 4.93 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.212 -0.93 . . . . 0.0 109.452 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.665 HD21 HG12 ' A' ' 47' ' ' ILE . 0.7 OUTLIER -105.47 116.31 31.72 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.242 -0.912 . . . . 0.0 109.545 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.586 ' N ' HD13 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -143.5 -59.1 0.41 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.239 -0.913 . . . . 0.0 109.729 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.471 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 26.1 mt-10 -109.61 -23.1 11.64 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.256 -0.903 . . . . 0.0 109.539 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.665 HG12 HD21 ' A' ' 44' ' ' LEU . 72.3 mt 62.85 136.96 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.256 -0.903 . . . . 0.0 109.582 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.493 ' HB2' ' HA ' ' A' ' 85' ' ' HIS . 13.3 tttm -109.71 -66.56 1.05 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.318 -0.863 . . . . 0.0 109.049 179.541 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.74 ' OE1' HG23 ' A' ' 52' ' ' VAL . 11.0 mm-40 -67.56 86.19 0.19 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.34 -0.85 . . . . 0.0 109.044 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.535 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 14.9 tt0 -63.22 -25.24 68.24 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.237 -0.914 . . . . 0.0 109.487 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.46 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -80.47 -33.37 36.71 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.278 -0.889 . . . . 0.0 109.919 -179.849 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.75 ' O ' HG22 ' A' ' 56' ' ' VAL . 60.8 t -72.53 -47.37 51.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.249 -0.907 . . . . 0.0 109.807 -179.715 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.427 ' O ' ' CB ' ' A' ' 57' ' ' MET . 59.8 t -75.6 -26.26 18.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.162 -0.962 . . . . 0.0 109.236 -179.747 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.535 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 33.0 t70 -80.92 -24.97 37.84 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.403 -0.811 . . . . 0.0 109.371 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.569 ' HG3' ' N ' ' A' ' 56' ' ' VAL . 0.1 OUTLIER -77.55 -39.83 44.57 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 120.875 -1.14 . . . . 0.0 109.254 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.75 HG22 ' O ' ' A' ' 52' ' ' VAL . 2.9 m -81.04 -34.63 13.8 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 O-C-N 121.205 -0.935 . . . . 0.0 108.721 179.428 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.427 ' CB ' ' O ' ' A' ' 53' ' ' VAL . 2.3 ttm -75.3 -25.96 58.32 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 179.55 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.482 ' CG ' ' O ' ' A' ' 54' ' ' ASP . 72.2 mt-10 -80.08 -50.09 10.84 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.207 -0.933 . . . . 0.0 108.545 179.079 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.0 m -63.71 -29.55 70.76 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 178.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.56 HD22 ' HB2' ' A' ' 33' ' ' LYS . 9.8 mt -67.42 -56.29 10.24 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 179.439 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.49 -0.51 37.73 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.448 -0.783 . . . . 0.0 109.748 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.482 ' HB2' ' O ' ' A' ' 58' ' ' GLU . 74.4 tt0 -79.97 -37.4 34.45 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.163 -0.961 . . . . 0.0 109.674 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.49 ' HB3' ' HG3' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -106.42 -67.77 0.92 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.344 -0.848 . . . . 0.0 109.469 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.43 ' CA ' ' HB2' ' A' ' 29' ' ' LYS . . . 85.7 -54.74 4.82 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.679 -1.368 . . . . 0.0 109.679 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -100.26 23.21 10.38 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.164 -1.198 . . . . 0.0 109.625 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -95.69 161.7 23.0 Favored Glycine 0 N--CA 1.488 2.133 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -104.1 148.22 26.52 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.23 -1.159 . . . . 0.0 109.439 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.447 ' SG ' ' HD3' ' A' ' 29' ' ' LYS . 3.4 m -117.53 173.42 6.73 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.232 -0.918 . . . . 0.0 109.574 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -108.4 -177.91 3.45 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.261 -0.899 . . . . 0.0 109.129 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.615 ' CE2' ' HG3' ' A' ' 71' ' ' GLN . 36.5 p90 -79.96 -33.06 39.85 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.004 -1.06 . . . . 0.0 109.368 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.615 ' HG3' ' CE2' ' A' ' 70' ' ' PHE . 6.6 mt-30 -79.02 -23.85 44.07 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.073 -1.017 . . . . 0.0 108.603 179.073 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -77.1 -54.9 5.95 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.449 -0.782 . . . . 0.0 108.898 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.662 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -62.72 -25.9 68.41 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.211 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.56 ' SD ' HD22 ' A' ' 10' ' ' LEU . 6.2 mmm -71.42 -52.01 20.84 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.579 -0.7 . . . . 0.0 109.44 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.494 ' O ' ' HG3' ' A' ' 79' ' ' MET . . . -68.39 -20.82 64.71 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.188 -0.945 . . . . 0.0 109.072 179.74 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.728 ' O ' HG22 ' A' ' 80' ' ' VAL . 0.7 OUTLIER -74.92 -35.31 62.21 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.51 -0.744 . . . . 0.0 109.316 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.966 HG12 ' HE2' ' B' ' 7' ' ' MET . 87.6 t -73.1 -26.06 22.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.383 -0.823 . . . . 0.0 109.805 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.408 ' O ' ' OG1' ' A' ' 82' ' ' THR . 50.6 m -78.67 -41.47 31.13 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.183 -0.948 . . . . 0.0 110.572 -179.192 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.601 ' HB3' HG13 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -61.73 -42.25 98.71 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.088 -1.007 . . . . 0.0 110.247 -179.318 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.745 HG13 HG21 ' A' ' 56' ' ' VAL . 3.2 m -79.92 -38.52 18.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.093 -1.004 . . . . 0.0 110.932 -179.093 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.756 HG21 ' HG3' ' B' ' 7' ' ' MET . 45.3 m -66.88 -6.83 17.98 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.858 -1.151 . . . . 0.0 109.892 -179.555 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.448 ' HB ' ' HG2' ' B' ' 71' ' ' GLN . 2.4 p -111.1 -26.73 9.07 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.045 -1.035 . . . . 0.0 109.727 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.442 ' O ' ' O ' ' A' ' 84' ' ' CYS . . . -54.17 -91.41 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.273 -0.892 . . . . 0.0 109.518 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.479 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 3.8 m 44.81 -168.97 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.216 -0.927 . . . . 0.0 109.7 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.493 ' HA ' ' HB2' ' A' ' 48' ' ' LYS . 1.0 OUTLIER -129.3 -45.49 1.23 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.176 -0.953 . . . . 0.0 109.454 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.453 ' O ' ' CB ' ' A' ' 87' ' ' PHE . 55.2 mt-10 -90.3 34.47 0.87 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.307 -0.871 . . . . 0.0 109.187 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.511 ' CE1' ' CZ ' ' A' ' 88' ' ' PHE . 0.4 OUTLIER 72.69 -146.68 0.05 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.232 -0.917 . . . . 0.0 109.18 -179.834 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.868 ' CD2' HG23 ' B' ' 11' ' ' ILE . 18.0 m-85 -65.92 -77.92 0.06 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.257 -0.902 . . . . 0.0 109.614 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -108.58 -72.42 0.72 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.187 -0.946 . . . . 0.0 109.419 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.479 ' CG ' ' N ' ' A' ' 91' ' ' GLU . 17.7 p80 -152.87 -39.48 0.1 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.227 -0.921 . . . . 0.0 109.431 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.479 ' N ' ' CG ' ' A' ' 90' ' ' HIS . 2.9 tt0 . . . . . 0 N--CA 1.49 1.551 0 CA-C-O 118.024 -0.988 . . . . 0.0 109.465 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 0' ' ' MET . . . . . 0.506 ' SD ' ' N ' ' B' ' 0' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 1.2 t -136.42 162.75 32.19 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.079 -1.013 . . . . 0.0 109.726 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.75 ' HB3' HG22 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -73.45 -56.95 4.37 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.301 -0.874 . . . . 0.0 109.481 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.882 HD22 HD12 ' A' ' 35' ' ' LEU . 9.0 tp -61.76 -38.14 86.9 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.368 -0.832 . . . . 0.0 109.716 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.545 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 1.2 tt0 -62.37 -53.65 51.93 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.146 -0.971 . . . . 0.0 110.229 -179.287 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.43 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 5.9 mttm -62.07 -36.58 82.09 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.904 -1.123 . . . . 0.0 110.645 -179.132 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.528 ' HB1' ' HB3' ' A' ' 9' ' ' ALA . . . -80.26 -70.44 0.52 Allowed 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.984 -1.072 . . . . 0.0 110.43 -179.168 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 7' ' ' MET . . . . . 0.966 ' HE2' HG12 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -46.08 -53.77 9.69 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.373 -0.829 . . . . 0.0 109.875 -179.282 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.533 HG23 ' O ' ' B' ' 4' ' ' GLU . 32.3 t -56.88 -36.59 50.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 C-N-CA 119.568 -0.853 . . . . 0.0 109.151 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.52 ' HB3' ' HB1' ' A' ' 6' ' ' ALA . . . -52.22 -43.04 64.05 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 179.088 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.564 HD22 ' SD ' ' B' ' 74' ' ' MET . 0.2 OUTLIER -51.79 -51.75 54.1 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.069 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.868 HG23 ' CD2' ' A' ' 88' ' ' PHE . 1.6 mp -49.62 -40.05 14.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 179.124 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -50.56 -51.06 51.59 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.379 -0.825 . . . . 0.0 109.177 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.761 HG22 ' HB3' ' A' ' 2' ' ' GLU . 44.0 t -55.03 -35.06 33.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.405 -0.809 . . . . 0.0 109.463 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.669 ' CE1' HD23 ' B' ' 27' ' ' LEU . 19.0 t80 -63.34 -37.86 88.89 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.17 -0.956 . . . . 0.0 109.68 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 15' ' ' HIS . . . . . 0.442 ' O ' ' HA3' ' B' ' 19' ' ' GLY . 20.5 t-80 -75.62 -12.38 60.2 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.128 -0.982 . . . . 0.0 109.54 -179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.483 ' O ' ' HG3' ' B' ' 20' ' ' ARG . 7.2 tp-100 -86.98 -53.5 4.85 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.27 -0.894 . . . . 0.0 109.43 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.713 ' CD1' HD21 ' B' ' 35' ' ' LEU . 78.8 m-85 -76.36 -25.24 54.46 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.205 -0.934 . . . . 0.0 109.882 -179.746 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.79 -9.6 20.65 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.104 -0.997 . . . . 0.0 109.447 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 19' ' ' GLY . . . . . 0.449 ' O ' ' O ' ' B' ' 20' ' ' ARG . . . -87.53 -26.84 28.96 Favored Glycine 0 N--CA 1.489 2.216 0 N-CA-C 109.996 -1.241 . . . . 0.0 109.996 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.483 ' HG3' ' O ' ' B' ' 16' ' ' GLN . 0.0 OUTLIER -61.19 -144.0 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.071 -1.252 . . . . 0.0 109.298 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.475 ' O ' ' O ' ' B' ' 20' ' ' ARG . 3.9 pm0 -59.64 -116.29 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.977 -1.077 . . . . 0.0 109.267 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 22' ' ' GLY . . . . . 0.467 ' C ' ' O ' ' B' ' 21' ' ' GLU . . . 40.94 -100.29 0.01 OUTLIER Glycine 0 N--CA 1.492 2.415 0 N-CA-C 109.278 -1.529 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.553 ' O ' ' CB ' ' B' ' 24' ' ' LYS . 0.2 OUTLIER -175.7 -78.13 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.417 -1.049 . . . . 0.0 109.198 179.442 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.553 ' CB ' ' O ' ' B' ' 23' ' ' ASP . 0.7 OUTLIER 154.42 161.66 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 179.619 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 25' ' ' HIS . . . . . 0.553 ' CE1' ' HE1' ' B' ' 70' ' ' PHE . 56.4 t-80 65.28 9.9 6.03 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.152 -0.967 . . . . 0.0 109.623 179.723 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.785 ' O ' HD22 ' B' ' 27' ' ' LEU . 0.0 OUTLIER -145.31 160.66 41.18 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.029 -1.044 . . . . 0.0 109.945 -179.879 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.785 HD22 ' O ' ' B' ' 26' ' ' LYS . 0.6 OUTLIER -140.96 -161.05 1.15 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.468 -0.77 . . . . 0.0 109.07 179.887 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.34 163.3 38.12 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.165 -0.96 . . . . 0.0 109.582 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.495 ' HG3' ' HB3' ' B' ' 63' ' ' ASP . 19.4 mmtp -73.72 -27.16 61.05 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.24 -0.912 . . . . 0.0 109.453 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.65 -43.26 20.72 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.308 -0.87 . . . . 0.0 109.489 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.509 ' O ' ' HB2' ' B' ' 35' ' ' LEU . 2.5 tt0 -73.8 -24.97 59.89 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.205 -0.934 . . . . 0.0 108.548 179.552 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.487 ' O ' HG13 ' B' ' 36' ' ' ILE . 33.9 tp -77.74 -47.57 18.74 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 179.472 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.561 ' HB2' HD22 ' B' ' 60' ' ' LEU . 0.1 OUTLIER -58.05 -43.1 86.7 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 179.248 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.568 ' HG3' ' N ' ' B' ' 35' ' ' LEU . 0.1 OUTLIER -71.56 -31.72 67.31 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.672 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.871 HD12 HD22 ' A' ' 3' ' ' LEU . 0.1 OUTLIER -58.21 -37.12 74.2 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.552 -0.717 . . . . 0.0 109.333 179.377 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.599 HG21 HG21 ' B' ' 80' ' ' VAL . 0.8 OUTLIER -80.49 -56.99 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.33 -0.856 . . . . 0.0 110.455 -179.297 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.528 ' O ' ' CB ' ' B' ' 41' ' ' SER . 35.4 t-20 -66.24 -63.02 1.17 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.346 -0.846 . . . . 0.0 110.587 -178.743 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.526 ' CB ' ' OE1' ' B' ' 34' ' ' GLU . 41.9 t30 -49.44 -55.74 12.1 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.958 -1.088 . . . . 0.0 110.854 -178.671 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.613 ' HG3' HD13 ' B' ' 35' ' ' LEU . 6.4 mm-40 -70.69 -75.26 0.12 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.003 -1.061 . . . . 0.0 111.16 -178.501 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.709 ' HG ' HD23 ' A' ' 3' ' ' LEU . 10.4 mt -61.45 -98.29 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.353 0 O-C-N 120.991 -1.068 . . . . 0.0 110.232 -178.683 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.528 ' CB ' ' O ' ' B' ' 37' ' ' ASN . 15.3 t 40.88 41.05 1.12 Allowed 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.229 -0.919 . . . . 0.0 109.708 -179.633 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -113.23 -21.72 10.84 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.089 -1.007 . . . . 0.0 109.55 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -129.26 30.93 4.93 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.244 -0.91 . . . . 0.0 109.416 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.664 HD21 HG12 ' B' ' 47' ' ' ILE . 0.7 OUTLIER -105.54 116.44 31.95 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.216 -0.927 . . . . 0.0 109.537 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.599 ' N ' HD13 ' B' ' 44' ' ' LEU . 0.1 OUTLIER -143.59 -59.17 0.41 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.235 -0.916 . . . . 0.0 109.675 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.475 ' O ' ' HB ' ' B' ' 47' ' ' ILE . 25.9 mt-10 -109.58 -23.1 11.65 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.263 -0.898 . . . . 0.0 109.482 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.664 HG12 HD21 ' B' ' 44' ' ' LEU . 71.8 mt 62.91 137.04 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.284 -0.885 . . . . 0.0 109.585 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.505 ' HB2' ' HA ' ' B' ' 85' ' ' HIS . 13.2 tttm -109.78 -66.66 1.05 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.288 -0.882 . . . . 0.0 109.007 179.571 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.746 ' OE1' HG23 ' B' ' 52' ' ' VAL . 11.1 mm-40 -67.48 86.18 0.18 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.281 -0.887 . . . . 0.0 109.092 179.567 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 50' ' ' GLN . . . . . 0.527 ' O ' ' CB ' ' B' ' 54' ' ' ASP . 14.9 tt0 -63.3 -25.23 68.22 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.221 -0.924 . . . . 0.0 109.414 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.463 ' O ' ' HG2' ' B' ' 55' ' ' LYS . 0.6 OUTLIER -80.49 -33.44 36.55 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.225 -0.922 . . . . 0.0 109.858 -179.827 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.746 HG23 ' OE1' ' B' ' 49' ' ' GLU . 60.8 t -72.5 -47.37 51.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.223 -0.923 . . . . 0.0 109.841 -179.672 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.434 ' O ' ' CB ' ' B' ' 57' ' ' MET . 59.0 t -75.44 -26.43 18.45 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.143 -0.973 . . . . 0.0 109.273 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 54' ' ' ASP . . . . . 0.527 ' CB ' ' O ' ' B' ' 50' ' ' GLN . 32.9 t70 -80.88 -24.85 38.02 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.342 -0.849 . . . . 0.0 109.44 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.562 ' HG3' ' N ' ' B' ' 56' ' ' VAL . 0.1 OUTLIER -77.6 -39.81 44.23 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.896 -1.127 . . . . 0.0 109.306 179.853 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.769 HG21 HG13 ' B' ' 80' ' ' VAL . 2.9 m -81.02 -34.67 13.84 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.321 0 O-C-N 121.034 -1.041 . . . . 0.0 108.702 179.422 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.434 ' CB ' ' O ' ' B' ' 53' ' ' VAL . 2.3 ttm -75.22 -26.05 58.64 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 179.484 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 58' ' ' GLU . . . . . 0.485 ' O ' ' HB2' ' B' ' 62' ' ' GLU . 72.4 mt-10 -80.06 -49.99 10.98 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.2 -0.938 . . . . 0.0 108.549 179.111 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 3.1 m -63.8 -29.65 70.83 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 178.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.561 HD22 ' HB2' ' B' ' 33' ' ' LYS . 9.8 mt -67.29 -56.27 10.46 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 179.439 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.51 -0.47 37.65 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.564 -0.71 . . . . 0.0 109.825 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.485 ' HB2' ' O ' ' B' ' 58' ' ' GLU . 74.4 tt0 -80.0 -37.41 34.27 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.146 -0.972 . . . . 0.0 109.583 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.495 ' HB3' ' HG3' ' B' ' 29' ' ' LYS . 0.2 OUTLIER -106.46 -67.76 0.92 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.27 -0.894 . . . . 0.0 109.461 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 64' ' ' GLY . . . . . 0.422 ' CA ' ' HB2' ' B' ' 29' ' ' LYS . . . 85.65 -54.75 4.83 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.757 -1.337 . . . . 0.0 109.757 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -100.16 23.13 10.4 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.097 -1.237 . . . . 0.0 109.615 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -95.66 161.75 23.04 Favored Glycine 0 N--CA 1.487 2.049 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -104.14 148.25 26.49 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.329 -1.101 . . . . 0.0 109.468 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.453 ' SG ' ' HD3' ' B' ' 29' ' ' LYS . 3.3 m -117.5 173.47 6.69 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.163 -0.96 . . . . 0.0 109.583 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -108.43 -177.96 3.47 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.336 -0.853 . . . . 0.0 109.198 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.612 ' CE2' ' HG3' ' B' ' 71' ' ' GLN . 36.7 p90 -79.89 -33.0 40.3 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.026 -1.046 . . . . 0.0 109.479 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.612 ' HG3' ' CE2' ' B' ' 70' ' ' PHE . 6.5 mt-30 -79.03 -23.95 43.96 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.113 -0.992 . . . . 0.0 108.547 179.09 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -77.0 -54.82 6.07 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.401 -0.812 . . . . 0.0 108.881 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.659 ' O ' HG23 ' B' ' 77' ' ' VAL . 0.0 OUTLIER -62.81 -25.9 68.48 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.279 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.564 ' SD ' HD22 ' B' ' 10' ' ' LEU . 6.2 mmm -71.45 -51.95 21.08 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.58 -0.7 . . . . 0.0 109.435 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.495 ' O ' ' HG3' ' B' ' 79' ' ' MET . . . -68.42 -20.82 64.68 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.136 -0.977 . . . . 0.0 109.091 179.725 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.715 ' O ' HG22 ' B' ' 80' ' ' VAL . 0.7 OUTLIER -74.93 -35.3 62.18 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.383 -0.823 . . . . 0.0 109.352 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 1.045 HG12 ' HE2' ' A' ' 7' ' ' MET . 88.1 t -73.04 -26.14 22.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.38 -0.825 . . . . 0.0 109.832 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 78' ' ' SER . . . . . 0.402 ' O ' ' OG1' ' B' ' 82' ' ' THR . 50.8 m -78.51 -41.54 32.09 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.23 -0.919 . . . . 0.0 110.678 -179.252 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 79' ' ' MET . . . . . 0.609 ' HB3' HG13 ' B' ' 52' ' ' VAL . 0.0 OUTLIER -61.7 -42.3 98.76 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.02 -1.05 . . . . 0.0 110.249 -179.267 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.769 HG13 HG21 ' B' ' 56' ' ' VAL . 3.2 m -79.97 -38.47 18.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.086 -1.009 . . . . 0.0 110.876 -178.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.78 HG21 ' HG3' ' A' ' 7' ' ' MET . 46.0 m -66.98 -6.76 18.14 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.88 -1.138 . . . . 0.0 109.808 -179.524 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.435 ' HB ' ' HG2' ' A' ' 71' ' ' GLN . 2.4 p -111.14 -26.79 9.02 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.086 -1.009 . . . . 0.0 109.679 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.447 ' O ' ' O ' ' B' ' 84' ' ' CYS . . . -54.11 -91.34 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.189 -0.944 . . . . 0.0 109.563 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 84' ' ' CYS . . . . . 0.47 ' O ' ' HB2' ' B' ' 48' ' ' LYS . 3.8 m 44.81 -169.0 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.246 -0.909 . . . . 0.0 109.665 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 85' ' ' HIS . . . . . 0.505 ' HA ' ' HB2' ' B' ' 48' ' ' LYS . 1.0 OUTLIER -129.25 -45.56 1.23 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.264 -0.897 . . . . 0.0 109.36 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 86' ' ' GLU . . . . . 0.471 ' O ' ' CB ' ' B' ' 87' ' ' PHE . 55.1 mt-10 -90.24 34.35 0.87 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.271 -0.893 . . . . 0.0 109.163 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 87' ' ' PHE . . . . . 0.521 ' CE1' ' CZ ' ' B' ' 88' ' ' PHE . 0.4 OUTLIER 72.74 -146.73 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.194 -0.941 . . . . 0.0 109.202 -179.795 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.859 ' CD2' HG23 ' A' ' 11' ' ' ILE . 17.9 m-85 -65.8 -78.01 0.06 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.164 -0.96 . . . . 0.0 109.611 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -108.58 -72.47 0.72 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.199 -0.938 . . . . 0.0 109.432 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 90' ' ' HIS . . . . . 0.484 ' CG ' ' N ' ' B' ' 91' ' ' GLU . 17.7 p80 -152.75 -39.38 0.1 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.273 -0.892 . . . . 0.0 109.516 179.733 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.484 ' N ' ' CG ' ' B' ' 90' ' ' HIS . 2.9 tt0 . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 118.013 -0.994 . . . . 0.0 109.425 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.466 ' HB2' ' OE1' ' B' ' 39' ' ' GLU . 28.9 p -129.85 -177.27 4.21 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.326 -0.859 . . . . 0.0 109.618 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.909 ' HB2' HG22 ' B' ' 13' ' ' VAL . 30.3 mm-40 -80.42 -41.01 25.3 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.309 -0.869 . . . . 0.0 109.925 -179.74 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.85 HD22 HD12 ' B' ' 35' ' ' LEU . 7.3 tp -69.93 -39.81 75.88 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.295 -0.878 . . . . 0.0 110.71 -179.116 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.683 ' O ' HG23 ' A' ' 8' ' ' VAL . 37.4 mt-10 -73.26 -65.74 0.77 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.954 -1.091 . . . . 0.0 110.667 -178.629 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.4 -34.03 56.15 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 120.789 -1.194 . . . . 0.0 110.125 -179.065 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.618 ' CB ' ' HB3' ' B' ' 9' ' ' ALA . . . -81.34 -68.73 0.67 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.149 -0.97 . . . . 0.0 110.883 -179.366 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.815 ' HE2' HG12 ' B' ' 77' ' ' VAL . 1.6 tpt -52.19 -53.15 46.87 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.176 -0.952 . . . . 0.0 109.822 -178.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 4' ' ' GLU . 8.6 t -54.28 -31.09 21.76 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 O-C-N 121.49 -0.756 . . . . 0.0 109.313 -179.731 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.617 ' HB3' ' HB1' ' B' ' 6' ' ' ALA . . . -66.92 -42.94 84.53 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.078 -1.014 . . . . 0.0 109.192 179.533 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.668 HD21 HG11 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -50.81 -49.66 58.03 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.259 -0.901 . . . . 0.0 108.642 179.303 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.984 HG23 ' CE1' ' B' ' 88' ' ' PHE . 1.7 mt -49.39 -41.29 15.13 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.073 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -52.09 -52.91 48.33 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 179.447 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.92 HG22 ' HB2' ' B' ' 2' ' ' GLU . 96.9 t -45.84 -41.39 3.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.319 -0.863 . . . . 0.0 109.133 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.831 ' CD2' HD12 ' A' ' 27' ' ' LEU . 39.7 t80 -66.09 -41.8 90.18 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.277 -0.889 . . . . 0.0 109.244 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.433 ' O ' ' CG ' ' A' ' 15' ' ' HIS . 30.6 t-80 -86.91 10.72 15.34 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.327 -0.858 . . . . 0.0 109.181 179.764 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -107.12 -45.26 4.17 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.333 -0.855 . . . . 0.0 109.553 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.628 ' CG ' HD21 ' A' ' 35' ' ' LEU . 20.1 m-85 -82.57 -30.26 29.73 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.191 -0.943 . . . . 0.0 109.57 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.5 t -85.29 3.61 38.83 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.165 -0.959 . . . . 0.0 109.57 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -94.05 -60.02 1.15 Allowed Glycine 0 N--CA 1.488 2.146 0 N-CA-C 109.621 -1.392 . . . . 0.0 109.621 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.63 -19.78 17.93 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.252 -1.146 . . . . 0.0 109.491 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -71.33 -165.29 0.13 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.192 -0.943 . . . . 0.0 109.292 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.79 -38.21 8.89 Favored Glycine 0 N--CA 1.488 2.157 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.58 -173.75 3.93 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.384 -1.068 . . . . 0.0 109.383 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.432 ' HG2' ' O ' ' A' ' 24' ' ' LYS . 43.0 tttt -154.51 17.61 0.47 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.127 -0.983 . . . . 0.0 109.709 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.682 ' CD2' ' CD2' ' B' ' 87' ' ' PHE . 0.1 OUTLIER -155.66 15.19 0.37 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.068 -1.02 . . . . 0.0 110.227 -179.641 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.31 132.02 14.97 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.97 -1.081 . . . . 0.0 109.513 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.831 HD12 ' CD2' ' A' ' 14' ' ' PHE . 0.4 OUTLIER -91.37 -159.22 0.62 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.168 -0.958 . . . . 0.0 109.274 179.727 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.46 ' HA ' ' HA ' ' A' ' 67' ' ' GLU . 12.0 mtmt -145.75 157.93 43.9 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.113 -0.992 . . . . 0.0 109.5 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.483 ' HE2' ' HB2' ' A' ' 63' ' ' ASP . 1.9 mtpp -71.8 -26.99 62.63 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.218 -0.926 . . . . 0.0 109.377 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.0 t -80.14 -36.31 35.39 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.259 -0.901 . . . . 0.0 109.297 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.513 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 1.3 tt0 -82.06 -18.0 44.7 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 179.192 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.525 ' O ' HG13 ' A' ' 36' ' ' ILE . 14.2 tp -80.87 -43.91 19.18 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 178.45 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.685 ' HB2' HD22 ' A' ' 60' ' ' LEU . 16.5 ttpp -56.86 -38.54 72.86 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 179.044 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.557 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 7.3 pt-20 -77.74 -39.68 43.58 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 179.695 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.846 HD12 HD22 ' B' ' 3' ' ' LEU . 0.1 OUTLIER -48.8 -46.81 42.27 Favored 'General case' 0 C--N 1.296 -1.745 0 O-C-N 121.577 -0.702 . . . . 0.0 109.3 179.776 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.785 HG22 HD22 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -81.4 -54.55 9.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.389 -0.819 . . . . 0.0 110.837 -179.356 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -71.88 2.41 5.57 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.223 -0.923 . . . . 0.0 111.449 -178.104 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.557 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 19.1 t-20 -111.34 -50.38 2.94 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.805 -1.185 . . . . 0.0 109.496 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.508 ' O ' ' HB3' ' B' ' 3' ' ' LEU . 0.0 OUTLIER -140.94 41.41 1.82 Allowed 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.233 -0.917 . . . . 0.0 109.611 179.907 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.859 ' HA ' HD23 ' B' ' 3' ' ' LEU . 0.5 OUTLIER -61.1 -78.11 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.097 -1.002 . . . . 0.0 108.659 179.53 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.609 ' HB3' HG22 ' B' ' 8' ' ' VAL . 1.6 p -162.65 44.03 0.13 Allowed 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.305 -0.872 . . . . 0.0 108.76 179.61 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 49.12 23.74 0.81 Allowed 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.347 -0.846 . . . . 0.0 109.115 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.551 ' O ' HD12 ' A' ' 44' ' ' LEU . 11.2 m-85 -110.88 102.91 11.38 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.496 -0.753 . . . . 0.0 109.434 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.551 HD12 ' O ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -176.78 90.76 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.279 -0.888 . . . . 0.0 109.521 -179.807 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.506 ' HG3' ' N ' ' A' ' 46' ' ' GLU . 3.8 pt-20 -176.81 -32.99 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.202 -0.936 . . . . 0.0 109.553 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.506 ' N ' ' HG3' ' A' ' 45' ' ' GLU . 14.7 mt-10 -103.56 -59.83 1.66 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.28 -0.888 . . . . 0.0 109.554 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.457 ' HB ' ' O ' ' A' ' 46' ' ' GLU . 24.1 mt 67.26 109.93 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.376 -0.828 . . . . 0.0 109.522 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.27 -42.53 5.24 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.369 -0.832 . . . . 0.0 109.225 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.632 ' OE1' HG23 ' A' ' 52' ' ' VAL . 10.7 mm-40 -88.87 73.55 8.37 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.24 -0.913 . . . . 0.0 109.313 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.53 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 29.4 tt0 -55.99 -22.58 27.65 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.351 -0.843 . . . . 0.0 109.421 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -79.12 -42.8 25.42 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.173 -0.954 . . . . 0.0 109.599 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.632 HG23 ' OE1' ' A' ' 49' ' ' GLU . 51.1 t -61.23 -60.98 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.291 -0.881 . . . . 0.0 109.391 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.543 ' O ' ' CB ' ' A' ' 57' ' ' MET . 71.6 t -62.32 -28.07 43.88 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 O-C-N 121.35 -0.844 . . . . 0.0 109.64 -179.552 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.53 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 10.9 t0 -72.37 -24.96 61.34 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.921 -1.112 . . . . 0.0 108.952 179.549 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.668 ' CD ' ' HE3' ' A' ' 79' ' ' MET . 0.2 OUTLIER -80.82 -56.79 3.89 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.392 -0.818 . . . . 0.0 109.941 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.594 HG23 ' N ' ' A' ' 57' ' ' MET . 33.7 m -65.89 -48.19 82.85 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.36 0 O-C-N 120.961 -1.087 . . . . 0.0 108.838 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.594 ' N ' HG23 ' A' ' 56' ' ' VAL . 0.2 OUTLIER -60.01 -23.2 63.48 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.393 -0.817 . . . . 0.0 108.882 179.226 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.474 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 1.8 mt-10 -68.17 -54.33 18.66 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.272 -0.892 . . . . 0.0 109.253 179.662 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.68 -29.91 70.39 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.474 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.685 HD22 ' HB2' ' A' ' 33' ' ' LYS . 8.9 mt -62.44 -51.47 67.36 Favored 'General case' 0 C--N 1.302 -1.46 0 CA-C-O 121.514 0.673 . . . . 0.0 109.248 179.47 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.85 -4.51 52.53 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.465 -0.772 . . . . 0.0 109.562 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -71.33 -67.42 0.52 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.158 -0.964 . . . . 0.0 109.625 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.483 ' HB2' ' HE2' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -87.91 -48.21 7.98 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.347 -0.845 . . . . 0.0 109.562 -179.822 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.4 -52.61 4.51 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.581 -1.408 . . . . 0.0 109.581 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -123.05 78.69 1.58 Allowed 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.188 -1.183 . . . . 0.0 109.505 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.454 ' HA3' ' HD2' ' A' ' 29' ' ' LYS . . . -129.44 -161.33 10.51 Favored Glycine 0 N--CA 1.486 2.01 0 N-CA-C 109.486 -1.446 . . . . 0.0 109.486 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.46 ' HA ' ' HA ' ' A' ' 28' ' ' LYS . 24.0 mt-10 -120.99 132.68 55.06 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.25 -1.147 . . . . 0.0 109.458 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 97.6 m -104.64 179.32 4.3 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.256 -0.902 . . . . 0.0 108.93 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -134.08 154.7 51.01 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.061 -1.025 . . . . 0.0 109.53 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 1.132 ' CE2' HG23 ' B' ' 82' ' ' THR . 0.1 OUTLIER -47.84 -26.04 1.51 Allowed 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.316 -0.865 . . . . 0.0 110.441 -179.808 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 1.031 ' HG2' HG21 ' B' ' 82' ' ' THR . 0.8 OUTLIER -79.52 -52.38 8.1 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.094 -1.004 . . . . 0.0 109.452 179.566 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.57 ' OE2' ' CE1' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -57.85 -56.98 14.96 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.308 -0.87 . . . . 0.0 109.836 -179.683 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.547 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -56.06 -18.15 8.87 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.122 -0.986 . . . . 0.0 108.967 179.773 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.634 ' HA ' ' HE3' ' A' ' 74' ' ' MET . 0.7 OUTLIER -79.35 -60.05 2.52 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.126 -0.984 . . . . 0.0 109.917 -179.779 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.487 ' O ' ' HG3' ' A' ' 79' ' ' MET . . . -66.0 -17.19 64.52 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.606 -0.684 . . . . 0.0 109.326 -179.575 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.656 ' O ' HG22 ' A' ' 80' ' ' VAL . 2.2 m-85 -81.17 -33.57 32.96 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.472 -0.767 . . . . 0.0 109.842 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.894 HG12 ' HE2' ' B' ' 7' ' ' MET . 53.7 t -75.11 -29.37 21.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.182 -0.949 . . . . 0.0 109.952 -179.658 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.562 ' HA ' ' CE ' ' B' ' 7' ' ' MET . 2.4 p -78.69 -34.47 46.09 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.187 -0.946 . . . . 0.0 110.043 -179.495 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.668 ' HE3' ' CD ' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -65.23 -42.95 92.89 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.182 -0.949 . . . . 0.0 110.24 -179.54 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.737 HG21 HG21 ' A' ' 36' ' ' ILE . 6.3 m -80.91 -38.76 17.23 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.128 -0.982 . . . . 0.0 111.254 -178.773 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.76 HG21 ' HG3' ' B' ' 7' ' ' MET . 30.4 m -62.92 -11.74 20.55 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.869 -1.145 . . . . 0.0 109.738 -179.364 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . 1.132 HG23 ' CE2' ' B' ' 70' ' ' PHE . 1.3 m -111.3 -26.74 8.99 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.254 -0.904 . . . . 0.0 109.306 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.5 ' CB ' HG23 ' A' ' 53' ' ' VAL . . . -68.61 -49.61 57.91 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.061 -1.024 . . . . 0.0 110.748 -179.309 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.475 ' SG ' ' HB3' ' A' ' 43' ' ' PHE . 4.6 t -40.37 -72.81 0.06 Allowed 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.178 -0.951 . . . . 0.0 110.802 -178.742 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.421 ' HB2' ' HG2' ' A' ' 89' ' ' GLU . 0.0 OUTLIER -92.1 165.03 13.37 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.027 -1.046 . . . . 0.0 110.186 -179.038 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.7 tm-20 -77.57 -32.49 53.8 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.327 -0.858 . . . . 0.0 109.257 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.673 ' CD2' ' CD2' ' B' ' 25' ' ' HIS . 0.1 OUTLIER -153.74 -81.27 0.09 Allowed 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.162 -0.961 . . . . 0.0 110.022 179.888 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.985 ' CE1' HG23 ' B' ' 11' ' ' ILE . 35.1 m-85 -146.81 89.22 1.8 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.042 -1.036 . . . . 0.0 109.169 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.421 ' HG2' ' HB2' ' A' ' 85' ' ' HIS . 5.9 mm-40 -77.29 3.39 13.08 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.233 -0.917 . . . . 0.0 109.579 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -59.32 -25.81 64.48 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.264 -0.897 . . . . 0.0 109.44 179.65 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 N--CA 1.491 1.576 0 CA-C-O 117.972 -1.013 . . . . 0.0 109.433 -179.934 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 1' ' ' SER . . . . . 0.452 ' HB2' ' OE1' ' A' ' 39' ' ' GLU . 28.7 p -129.87 -177.36 4.25 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.174 -0.954 . . . . 0.0 109.572 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.92 ' HB2' HG22 ' A' ' 13' ' ' VAL . 30.2 mm-40 -80.39 -41.02 25.38 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.306 -0.871 . . . . 0.0 109.901 -179.696 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.859 HD23 ' HA ' ' A' ' 40' ' ' LEU . 7.3 tp -69.98 -39.73 75.76 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.339 -0.85 . . . . 0.0 110.701 -179.07 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.678 ' O ' HG23 ' B' ' 8' ' ' VAL . 37.1 mt-10 -73.24 -65.74 0.77 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.911 -1.118 . . . . 0.0 110.736 -178.713 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.4 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 0.0 OUTLIER -53.43 -34.04 56.32 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 120.705 -1.247 . . . . 0.0 109.993 -179.039 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.617 ' HB1' ' HB3' ' A' ' 9' ' ' ALA . . . -81.36 -68.83 0.66 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.081 -1.012 . . . . 0.0 110.828 -179.297 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 7' ' ' MET . . . . . 0.894 ' HE2' HG12 ' A' ' 77' ' ' VAL . 1.6 tpt -52.11 -53.28 44.46 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.224 -0.923 . . . . 0.0 109.74 -178.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.678 HG23 ' O ' ' B' ' 4' ' ' GLU . 8.5 t -54.21 -31.05 21.43 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.622 0 O-C-N 121.45 -0.781 . . . . 0.0 109.389 -179.702 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.618 ' HB3' ' CB ' ' A' ' 6' ' ' ALA . . . -66.95 -42.98 84.31 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.031 -1.043 . . . . 0.0 109.147 179.523 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.662 HD21 HG11 ' B' ' 77' ' ' VAL . 0.2 OUTLIER -50.8 -49.57 58.2 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.248 -0.907 . . . . 0.0 108.567 179.336 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.985 HG23 ' CE1' ' A' ' 88' ' ' PHE . 1.7 mt -49.43 -41.33 15.33 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 179.104 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -52.05 -52.86 48.28 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.473 -0.767 . . . . 0.0 108.962 179.416 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.909 HG22 ' HB2' ' A' ' 2' ' ' GLU . 95.3 t -45.81 -41.48 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.357 -0.84 . . . . 0.0 109.128 179.633 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.833 ' CD2' HD12 ' B' ' 27' ' ' LEU . 39.4 t80 -65.98 -41.9 90.52 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.243 -0.911 . . . . 0.0 109.302 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 15' ' ' HIS . . . . . 0.424 ' O ' ' CG ' ' B' ' 15' ' ' HIS . 30.6 t-80 -86.81 10.6 15.5 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.195 -0.941 . . . . 0.0 109.285 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -107.01 -45.27 4.2 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.388 -0.82 . . . . 0.0 109.637 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.62 ' CG ' HD21 ' B' ' 35' ' ' LEU . 19.9 m-85 -82.58 -30.35 29.65 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.248 -0.907 . . . . 0.0 109.515 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 5.4 t -85.16 3.55 38.6 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.185 -0.947 . . . . 0.0 109.582 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -94.11 -59.94 1.15 Allowed Glycine 0 N--CA 1.488 2.146 0 N-CA-C 109.641 -1.384 . . . . 0.0 109.641 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.61 -19.73 17.59 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.138 -1.213 . . . . 0.0 109.588 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -71.32 -165.3 0.13 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.255 -0.903 . . . . 0.0 109.339 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.8 -38.21 8.88 Favored Glycine 0 N--CA 1.489 2.189 0 N-CA-C 109.396 -1.482 . . . . 0.0 109.396 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.59 -173.73 3.92 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.404 -1.056 . . . . 0.0 109.39 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.43 ' O ' ' HG2' ' B' ' 24' ' ' LYS . 42.8 tttt -154.55 17.68 0.46 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.242 -0.911 . . . . 0.0 109.694 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 25' ' ' HIS . . . . . 0.673 ' CD2' ' CD2' ' A' ' 87' ' ' PHE . 0.1 OUTLIER -155.77 15.31 0.36 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.188 -0.945 . . . . 0.0 110.257 -179.632 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.4 132.09 14.94 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.012 -1.055 . . . . 0.0 109.513 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.833 HD12 ' CD2' ' B' ' 14' ' ' PHE . 0.4 OUTLIER -91.41 -159.09 0.61 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.292 -0.88 . . . . 0.0 109.257 179.72 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.468 ' HA ' ' HA ' ' B' ' 67' ' ' GLU . 12.2 mtmt -145.8 157.97 43.89 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.088 -1.007 . . . . 0.0 109.601 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.475 ' HE2' ' HB2' ' B' ' 63' ' ' ASP . 1.9 mtpp -71.71 -27.09 62.79 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.262 -0.899 . . . . 0.0 109.387 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 8.0 t -80.12 -36.22 35.61 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.296 -0.878 . . . . 0.0 109.373 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.519 ' O ' ' HG2' ' B' ' 34' ' ' GLU . 1.3 tp10 -82.16 -18.02 44.25 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 179.22 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.521 ' O ' HG13 ' B' ' 36' ' ' ILE . 14.2 tp -80.9 -43.91 19.12 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 178.439 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.691 ' HB2' HD22 ' B' ' 60' ' ' LEU . 16.6 ttpp -56.93 -38.62 73.16 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 179.098 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.556 ' O ' ' CB ' ' B' ' 38' ' ' ASN . 7.4 pt-20 -77.63 -39.72 44.3 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 179.69 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.85 HD12 HD22 ' A' ' 3' ' ' LEU . 0.1 OUTLIER -48.86 -46.7 42.71 Favored 'General case' 0 C--N 1.296 -1.744 0 O-C-N 121.642 -0.661 . . . . 0.0 109.314 179.763 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.799 HG22 HD22 ' B' ' 40' ' ' LEU . 0.2 OUTLIER -81.48 -54.48 9.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.419 -0.8 . . . . 0.0 110.823 -179.294 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -72.05 2.42 5.76 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.209 -0.932 . . . . 0.0 111.476 -178.148 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.556 ' CB ' ' O ' ' B' ' 34' ' ' GLU . 19.0 t-20 -111.3 -50.42 2.94 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.827 -1.171 . . . . 0.0 109.537 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.508 ' O ' ' HG3' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -140.91 41.5 1.82 Allowed 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.217 -0.927 . . . . 0.0 109.652 179.857 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.831 ' HA ' HD23 ' A' ' 3' ' ' LEU . 0.5 OUTLIER -61.16 -78.23 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.138 -0.976 . . . . 0.0 108.625 179.494 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.63 ' HB3' HG22 ' A' ' 8' ' ' VAL . 1.6 p -162.57 43.97 0.13 Allowed 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.337 -0.852 . . . . 0.0 108.832 179.608 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 49.14 23.76 0.83 Allowed 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.483 -0.761 . . . . 0.0 109.075 -179.677 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 43' ' ' PHE . . . . . 0.544 ' O ' HD12 ' B' ' 44' ' ' LEU . 11.4 m-85 -110.79 102.86 11.36 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.397 -0.815 . . . . 0.0 109.457 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.544 HD12 ' O ' ' B' ' 43' ' ' PHE . 0.1 OUTLIER -176.8 90.68 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.339 -0.85 . . . . 0.0 109.533 -179.842 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.508 ' HG3' ' N ' ' B' ' 46' ' ' GLU . 3.8 pt-20 -176.76 -32.79 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.154 -0.966 . . . . 0.0 109.637 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.508 ' N ' ' HG3' ' B' ' 45' ' ' GLU . 14.7 mt-10 -103.76 -59.75 1.68 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.182 -0.949 . . . . 0.0 109.486 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.452 ' HB ' ' O ' ' B' ' 46' ' ' GLU . 24.3 mt 67.24 110.06 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.365 -0.834 . . . . 0.0 109.501 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.42 -42.43 5.24 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.235 -0.915 . . . . 0.0 109.231 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.636 ' OE1' HG23 ' B' ' 52' ' ' VAL . 10.6 mm-40 -88.94 73.68 8.3 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.34 -0.85 . . . . 0.0 109.252 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 50' ' ' GLN . . . . . 0.524 ' O ' ' CB ' ' B' ' 54' ' ' ASP . 29.4 tt0 -56.01 -22.63 28.12 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.34 -0.85 . . . . 0.0 109.381 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -79.16 -42.73 25.47 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.167 -0.958 . . . . 0.0 109.587 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.636 HG23 ' OE1' ' B' ' 49' ' ' GLU . 50.8 t -61.35 -60.94 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.17 -0.956 . . . . 0.0 109.418 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.54 ' O ' ' CB ' ' B' ' 57' ' ' MET . 72.7 t -62.21 -28.08 43.82 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 O-C-N 121.246 -0.909 . . . . 0.0 109.695 -179.655 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 54' ' ' ASP . . . . . 0.524 ' CB ' ' O ' ' B' ' 50' ' ' GLN . 10.8 t0 -72.42 -24.92 61.3 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 120.937 -1.102 . . . . 0.0 108.88 179.613 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.665 ' CD ' ' HE3' ' B' ' 79' ' ' MET . 0.2 OUTLIER -80.93 -56.79 3.88 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.39 -0.819 . . . . 0.0 109.899 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.592 HG23 ' N ' ' B' ' 57' ' ' MET . 33.6 m -66.0 -48.04 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.363 0 O-C-N 120.951 -1.093 . . . . 0.0 108.829 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.592 ' N ' HG23 ' B' ' 56' ' ' VAL . 0.2 OUTLIER -60.21 -23.05 63.71 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.403 -0.811 . . . . 0.0 108.88 179.289 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 58' ' ' GLU . . . . . 0.465 ' HB2' ' O ' ' B' ' 54' ' ' ASP . 1.8 mt-10 -68.22 -54.26 19.02 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.287 -0.883 . . . . 0.0 109.252 179.653 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.84 -29.84 70.44 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.461 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.691 HD22 ' HB2' ' B' ' 33' ' ' LYS . 9.0 mt -62.35 -51.51 67.32 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-O 121.584 0.707 . . . . 0.0 109.289 179.397 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.89 -4.48 52.51 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.527 -0.733 . . . . 0.0 109.538 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -71.33 -67.4 0.52 Allowed 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.259 -0.901 . . . . 0.0 109.653 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.475 ' HB2' ' HE2' ' B' ' 29' ' ' LYS . 0.2 OUTLIER -87.95 -48.12 8.03 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.415 -0.803 . . . . 0.0 109.666 -179.873 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.34 -52.65 4.52 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -123.08 78.61 1.58 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.255 -1.144 . . . . 0.0 109.519 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.444 ' HA3' ' HD2' ' B' ' 29' ' ' LYS . . . -129.33 -161.28 10.51 Favored Glycine 0 N--CA 1.487 2.064 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.468 ' HA ' ' HA ' ' B' ' 28' ' ' LYS . 24.0 mt-10 -121.02 132.75 55.09 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.2 -1.176 . . . . 0.0 109.504 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 98.4 m -104.75 179.31 4.31 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.262 -0.899 . . . . 0.0 108.78 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -134.09 154.6 51.08 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.016 -1.052 . . . . 0.0 109.613 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 1.132 ' CE2' HG23 ' A' ' 82' ' ' THR . 0.1 OUTLIER -47.62 -26.15 1.39 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.382 -0.824 . . . . 0.0 110.447 -179.874 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 1.062 ' HG2' HG21 ' A' ' 82' ' ' THR . 0.8 OUTLIER -79.58 -52.44 8.0 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.083 -1.011 . . . . 0.0 109.457 179.636 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.571 ' OE2' ' CE1' ' B' ' 76' ' ' PHE . 0.2 OUTLIER -57.83 -56.99 14.89 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.286 -0.884 . . . . 0.0 109.766 -179.661 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.544 ' O ' HG23 ' B' ' 77' ' ' VAL . 0.2 OUTLIER -56.05 -18.09 8.68 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.106 -0.996 . . . . 0.0 108.933 179.798 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.698 ' HA ' ' HE3' ' B' ' 74' ' ' MET . 0.7 OUTLIER -79.43 -60.18 2.46 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.203 -0.935 . . . . 0.0 109.883 -179.808 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.486 ' O ' ' HG3' ' B' ' 79' ' ' MET . . . -65.92 -17.0 64.37 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.505 -0.747 . . . . 0.0 109.294 -179.499 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.656 ' O ' HG22 ' B' ' 80' ' ' VAL . 2.2 m-85 -81.38 -33.53 32.26 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.488 -0.758 . . . . 0.0 109.808 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.815 HG12 ' HE2' ' A' ' 7' ' ' MET . 53.2 t -75.24 -29.34 21.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.165 -0.959 . . . . 0.0 109.831 -179.605 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 78' ' ' SER . . . . . 0.555 ' HA ' ' CE ' ' A' ' 7' ' ' MET . 2.4 p -78.64 -34.39 46.52 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.144 -0.973 . . . . 0.0 110.155 -179.614 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 79' ' ' MET . . . . . 0.665 ' HE3' ' CD ' ' B' ' 55' ' ' LYS . 0.2 OUTLIER -65.44 -42.86 91.97 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.077 -1.014 . . . . 0.0 110.27 -179.525 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.739 HG21 HG21 ' B' ' 36' ' ' ILE . 6.3 m -80.89 -38.69 17.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.109 -0.994 . . . . 0.0 111.295 -178.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.759 HG21 ' HG3' ' A' ' 7' ' ' MET . 29.9 m -62.91 -11.65 19.94 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.852 -1.155 . . . . 0.0 109.751 -179.464 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 82' ' ' THR . . . . . 1.132 HG23 ' CE2' ' A' ' 70' ' ' PHE . 1.3 m -111.35 -26.85 8.91 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.223 -0.923 . . . . 0.0 109.324 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.494 ' CB ' HG23 ' B' ' 53' ' ' VAL . . . -68.49 -49.6 58.56 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.176 -0.952 . . . . 0.0 110.779 -179.314 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 84' ' ' CYS . . . . . 0.476 ' SG ' ' HB3' ' B' ' 43' ' ' PHE . 4.6 t -40.41 -72.71 0.06 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.191 -0.943 . . . . 0.0 110.901 -178.702 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 85' ' ' HIS . . . . . 0.425 ' HB2' ' HG2' ' B' ' 89' ' ' GLU . 0.0 OUTLIER -92.15 165.0 13.37 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.135 -0.978 . . . . 0.0 110.155 -179.035 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 13.6 tm-20 -77.45 -32.54 54.57 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.189 -0.944 . . . . 0.0 109.285 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 87' ' ' PHE . . . . . 0.682 ' CD2' ' CD2' ' A' ' 25' ' ' HIS . 0.1 OUTLIER -153.81 -81.21 0.09 Allowed 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.221 -0.925 . . . . 0.0 109.999 179.928 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.984 ' CE1' HG23 ' A' ' 11' ' ' ILE . 35.2 m-85 -146.84 89.12 1.79 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.027 -1.046 . . . . 0.0 109.152 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.425 ' HG2' ' HB2' ' B' ' 85' ' ' HIS . 6.0 mm-40 -77.24 3.41 12.94 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.279 -0.888 . . . . 0.0 109.628 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -59.34 -25.74 64.45 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.143 -0.973 . . . . 0.0 109.382 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 118.071 -0.966 . . . . 0.0 109.46 -179.912 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 1.1 mtm . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.443 ' OG ' ' HB3' ' A' ' 4' ' ' GLU . 78.1 p -157.24 -174.15 4.77 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.31 -0.869 . . . . 0.0 109.541 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.926 ' HB3' HG22 ' B' ' 13' ' ' VAL . 2.7 tp10 -79.81 -38.82 32.15 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.307 -0.871 . . . . 0.0 109.667 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.879 HD22 ' CD1' ' B' ' 35' ' ' LEU . 11.2 tp -79.54 -50.57 10.52 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.284 -0.885 . . . . 0.0 109.788 -179.65 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.872 ' HA ' HD23 ' B' ' 40' ' ' LEU . 6.0 tm-20 -54.56 -30.99 55.78 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.246 -0.909 . . . . 0.0 110.226 -179.347 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.582 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 3.2 mttt -81.0 -49.48 10.88 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.734 -1.229 . . . . 0.0 110.204 -179.471 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.619 ' HB2' ' HB3' ' B' ' 9' ' ' ALA . . . -71.8 -63.3 1.16 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.183 -0.948 . . . . 0.0 110.27 -179.185 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' MET . . . . . 1.005 ' HG3' HG21 ' B' ' 81' ' ' THR . 7.3 tpt -47.97 -53.75 15.06 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.283 -0.886 . . . . 0.0 109.943 -179.427 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.549 ' CG2' ' O ' ' A' ' 4' ' ' GLU . 18.2 t -64.78 -28.69 45.38 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.518 0 O-C-N 121.471 -0.768 . . . . 0.0 109.583 -179.421 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.633 ' HB3' ' HB2' ' B' ' 6' ' ' ALA . . . -66.43 -33.0 74.72 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.191 -0.943 . . . . 0.0 108.983 179.42 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 1.011 HD13 ' CE ' ' A' ' 74' ' ' MET . 0.4 OUTLIER -60.66 -50.37 73.79 Favored 'General case' 0 N--CA 1.486 1.375 0 O-C-N 121.245 -0.909 . . . . 0.0 108.614 179.446 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 1.01 HG23 ' CE1' ' B' ' 88' ' ' PHE . 10.3 mt -49.97 -27.79 3.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 179.026 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -66.96 -48.09 69.62 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.641 -0.662 . . . . 0.0 109.358 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.945 HG22 ' HB3' ' B' ' 2' ' ' GLU . 47.9 t -47.13 -45.19 8.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.319 -0.863 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.407 ' CE1' ' HD1' ' A' ' 70' ' ' PHE . 1.2 t80 -55.33 -54.4 44.07 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.211 -0.931 . . . . 0.0 109.554 -179.758 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -59.61 -21.08 59.89 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.165 -0.959 . . . . 0.0 108.977 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -79.68 -30.01 40.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.51 -0.744 . . . . 0.0 109.402 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.545 ' CE2' HD21 ' A' ' 35' ' ' LEU . 73.5 m-85 -106.56 -80.23 0.56 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.288 -0.883 . . . . 0.0 109.675 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 17' ' ' TYR . 0.2 OUTLIER -43.83 -32.81 1.15 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.252 -0.905 . . . . 0.0 109.698 -179.849 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.41 46.44 3.2 Favored Glycine 0 N--CA 1.488 2.147 0 N-CA-C 109.973 -1.251 . . . . 0.0 109.973 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.448 ' CD ' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -153.93 19.82 0.51 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.098 -1.236 . . . . 0.0 109.601 179.703 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -137.6 -69.36 0.45 Allowed 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.222 -0.924 . . . . 0.0 109.549 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -157.83 -91.03 0.08 OUTLIER Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.6 -1.4 . . . . 0.0 109.6 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -53.58 168.97 0.15 Allowed 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.274 -1.133 . . . . 0.0 109.484 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.02 40.18 3.24 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.2 -0.938 . . . . 0.0 109.598 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 -165.52 23.43 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.211 -0.93 . . . . 0.0 109.718 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.411 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 14.1 ptpt -150.59 151.53 32.72 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.14 -0.975 . . . . 0.0 109.623 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.75 -154.24 0.51 Allowed 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.239 -0.913 . . . . 0.0 109.202 179.554 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' A' ' 66' ' ' GLY . 3.9 mtmt -143.29 131.1 21.47 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.354 -0.841 . . . . 0.0 109.176 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.538 ' O ' ' CD2' ' A' ' 60' ' ' LEU . 0.6 OUTLIER -49.77 -27.27 4.71 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.182 -0.948 . . . . 0.0 109.472 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.401 ' OG ' ' O ' ' A' ' 64' ' ' GLY . 0.3 OUTLIER -68.1 -42.84 79.7 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.226 -0.921 . . . . 0.0 109.7 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.405 ' O ' ' HG3' ' A' ' 34' ' ' GLU . 30.8 tt0 -74.01 -23.08 59.38 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 179.517 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.833 HD13 ' HD2' ' A' ' 73' ' ' PHE . 8.2 tp -74.57 -34.46 62.9 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 178.785 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.91 ' HG3' HD13 ' A' ' 60' ' ' LEU . 54.9 tttt -60.51 -46.39 90.32 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 178.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.553 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 0.0 OUTLIER -71.74 -30.33 65.5 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.165 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.918 ' CD1' HD22 ' B' ' 3' ' ' LEU . 0.2 OUTLIER -56.83 -40.54 76.21 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 108.739 -0.838 . . . . 0.0 108.739 179.316 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.74 HD13 HG21 ' A' ' 80' ' ' VAL . 0.3 OUTLIER -81.75 -61.21 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.325 -0.859 . . . . 0.0 110.256 179.889 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -66.26 -3.22 5.39 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.449 -0.782 . . . . 0.0 111.522 -178.099 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.553 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 4.6 t30 -118.14 -75.68 0.58 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.698 -1.251 . . . . 0.0 109.622 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.532 ' HB3' ' HB3' ' B' ' 3' ' ' LEU . 6.5 mm-40 -47.95 -59.67 3.18 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.979 -1.075 . . . . 0.0 108.861 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.959 HD11 ' HG2' ' B' ' 7' ' ' MET . 10.0 mt -70.07 -98.94 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.2 -0.938 . . . . 0.0 108.604 179.287 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.4 t 68.11 2.34 3.16 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.986 -1.071 . . . . 0.0 110.552 179.276 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.503 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 2.6 t-80 -62.26 -18.13 60.36 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.858 -1.151 . . . . 0.0 108.733 179.751 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.532 ' O ' ' CB ' ' A' ' 44' ' ' LEU . 1.3 m-85 -128.18 -141.55 0.26 Allowed 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.532 ' CB ' ' O ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER 77.55 49.59 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.047 -1.033 . . . . 0.0 109.821 179.55 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.549 ' N ' ' OE1' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -106.98 -60.6 1.65 Allowed 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 178.685 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.485 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 2.4 mt-10 -113.28 27.72 9.36 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 106.736 -1.579 . . . . 0.0 106.736 177.376 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.485 ' HB ' ' O ' ' A' ' 46' ' ' GLU . 1.0 OUTLIER 66.69 143.65 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 -179.028 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.761 ' HB2' ' HB3' ' A' ' 83' ' ' ALA . 4.1 mttt -77.51 -74.16 0.27 Allowed 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.344 -0.848 . . . . 0.0 109.308 -179.207 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.93 ' HB2' ' HB1' ' A' ' 83' ' ' ALA . 0.0 OUTLIER -122.54 106.97 11.48 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.048 -1.032 . . . . 0.0 108.823 179.276 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.522 ' O ' ' HB2' ' A' ' 54' ' ' ASP . 4.3 tm0? -46.64 -32.72 3.69 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.04 -1.037 . . . . 0.0 109.075 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.473 ' HB2' ' OE2' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -82.25 -63.82 1.3 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.412 -0.805 . . . . 0.0 110.782 -179.689 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.457 HG23 ' HG3' ' A' ' 49' ' ' GLU . 5.6 t -53.83 -60.37 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 120.959 -1.088 . . . . 0.0 108.881 -179.542 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 49.8 t -54.45 -25.47 14.28 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.599 0 O-C-N 121.615 -0.678 . . . . 0.0 109.908 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.522 ' HB2' ' O ' ' A' ' 50' ' ' GLN . 1.6 m-20 -69.17 -38.88 78.93 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.93 -1.106 . . . . 0.0 109.894 -179.682 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.86 -49.01 61.94 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.17 -0.956 . . . . 0.0 111.277 -178.419 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.652 HG21 ' CG1' ' A' ' 80' ' ' VAL . 34.3 m -72.05 -45.82 61.74 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 O-C-N 120.763 -1.211 . . . . 0.0 109.257 -179.322 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.593 ' N ' HG23 ' A' ' 56' ' ' VAL . 39.7 tpp -65.06 -24.83 67.58 Favored 'General case' 0 C--N 1.295 -1.783 0 O-C-N 121.606 -0.684 . . . . 0.0 109.236 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.512 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 9.8 mt-10 -75.76 -55.81 5.28 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.072 -1.017 . . . . 0.0 109.275 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.02 -28.02 67.38 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.043 -1.036 . . . . 0.0 108.372 179.733 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.91 HD13 ' HG3' ' A' ' 33' ' ' LYS . 12.0 mt -66.7 -55.58 14.46 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 179.631 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.14 -0.62 36.75 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.492 -0.755 . . . . 0.0 109.59 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.491 ' HB2' ' O ' ' A' ' 58' ' ' GLU . 5.5 tt0 -77.43 -39.84 45.49 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.133 -0.979 . . . . 0.0 109.69 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.38 -47.19 0.51 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.199 -0.938 . . . . 0.0 109.777 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.401 ' O ' ' OG ' ' A' ' 30' ' ' SER . . . 58.84 14.18 22.03 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.695 -1.362 . . . . 0.0 109.695 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -134.31 10.3 3.79 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.063 -1.257 . . . . 0.0 109.422 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.474 ' O ' ' HG2' ' A' ' 28' ' ' LYS . . . -89.74 157.46 26.42 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.756 -1.337 . . . . 0.0 109.756 -179.702 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -89.9 134.39 34.23 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.319 -1.107 . . . . 0.0 109.484 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.8 178.92 4.27 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.223 -0.923 . . . . 0.0 109.395 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -118.15 176.68 5.11 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.251 -0.906 . . . . 0.0 109.233 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.474 ' O ' ' HB2' ' A' ' 74' ' ' MET . 6.7 t80 -70.68 -40.69 72.78 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.135 -0.978 . . . . 0.0 109.204 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.534 HE21 HG23 ' B' ' 82' ' ' THR . 0.1 OUTLIER -71.59 -27.5 63.18 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.376 -0.828 . . . . 0.0 109.712 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.65 -61.24 1.94 Allowed 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.117 -0.989 . . . . 0.0 108.803 179.695 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.833 ' HD2' HD13 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -53.19 -25.0 12.25 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.387 -0.821 . . . . 0.0 109.158 179.467 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 74' ' ' MET . . . . . 1.011 ' CE ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -76.46 -57.02 4.1 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.967 -1.083 . . . . 0.0 109.566 -179.77 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.488 ' O ' ' HG2' ' A' ' 79' ' ' MET . . . -63.97 -13.02 42.93 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.391 -0.818 . . . . 0.0 108.971 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.619 ' HB3' HD21 ' A' ' 32' ' ' LEU . 0.9 OUTLIER -81.37 -48.86 11.39 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.428 -0.795 . . . . 0.0 109.612 179.549 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.782 HG12 ' SD ' ' B' ' 7' ' ' MET . 78.7 t -64.93 -26.89 41.13 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.343 -0.848 . . . . 0.0 109.994 -179.567 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . 1.002 ' O ' HG22 ' A' ' 82' ' ' THR . 1.4 m -73.36 -54.45 8.3 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.18 -0.95 . . . . 0.0 110.447 -179.318 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.537 ' SD ' ' CG1' ' A' ' 56' ' ' VAL . 7.8 ptp -52.04 -40.38 61.0 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.151 -0.968 . . . . 0.0 110.737 -178.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.74 HG21 HD13 ' A' ' 36' ' ' ILE . 3.3 m -73.56 -40.61 55.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 120.68 -1.262 . . . . 0.0 110.005 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.966 HG21 ' HG3' ' B' ' 7' ' ' MET . 11.0 m -67.24 -16.35 64.24 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.989 -1.069 . . . . 0.0 109.247 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . 1.002 HG22 ' O ' ' A' ' 78' ' ' SER . 2.2 t -132.07 26.53 4.57 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.305 -0.872 . . . . 0.0 109.134 179.716 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.93 ' HB1' ' HB2' ' A' ' 49' ' ' GLU . . . -52.33 -20.98 3.08 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.399 -0.813 . . . . 0.0 109.282 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.533 ' O ' ' CB ' ' A' ' 85' ' ' HIS . 10.5 m 81.99 -167.64 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.111 0 CA-C-O 121.71 0.767 . . . . 0.0 111.024 179.151 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.549 ' HB3' ' O ' ' A' ' 48' ' ' LYS . 1.1 t-80 81.02 79.72 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.691 -0.631 . . . . 0.0 109.445 -179.616 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 60.15 102.99 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.332 -0.855 . . . . 0.0 109.461 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.64 ' CE2' ' CD1' ' A' ' 88' ' ' PHE . 0.5 OUTLIER -161.5 -159.93 0.67 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.301 -0.874 . . . . 0.0 109.249 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.985 ' CE1' HG23 ' B' ' 11' ' ' ILE . 4.2 m-30 48.4 32.56 3.34 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.208 -0.932 . . . . 0.0 109.98 179.576 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.447 ' O ' ' CD2' ' A' ' 90' ' ' HIS . 0.3 OUTLIER -126.36 -37.62 2.19 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.062 -1.024 . . . . 0.0 109.244 179.613 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.575 ' CG ' ' O ' ' A' ' 90' ' ' HIS . 0.0 OUTLIER 57.65 14.75 2.53 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.345 -0.847 . . . . 0.0 109.835 179.623 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 . . . . . 0 C--N 1.303 -1.442 0 CA-C-O 117.923 -1.037 . . . . 0.0 109.521 -179.975 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 1.1 mtm . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' SER . . . . . 0.444 ' OG ' ' HB3' ' B' ' 4' ' ' GLU . 78.0 p -157.29 -174.16 4.77 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.235 -0.916 . . . . 0.0 109.602 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.945 ' HB3' HG22 ' A' ' 13' ' ' VAL . 2.6 tp10 -79.84 -38.8 32.04 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.319 -0.863 . . . . 0.0 109.668 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.918 HD22 ' CD1' ' A' ' 35' ' ' LEU . 11.1 tp -79.53 -50.65 10.41 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.345 -0.847 . . . . 0.0 109.754 -179.702 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.837 ' HA ' HD23 ' A' ' 40' ' ' LEU . 6.0 tm-20 -54.48 -30.97 54.84 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.19 -0.944 . . . . 0.0 110.188 -179.325 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.582 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 3.2 mttt -81.0 -49.54 10.8 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.762 -1.212 . . . . 0.0 110.26 -179.53 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.633 ' HB2' ' HB3' ' A' ' 9' ' ' ALA . . . -71.72 -63.26 1.16 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.135 -0.978 . . . . 0.0 110.342 -179.235 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 7' ' ' MET . . . . . 0.966 ' HG3' HG21 ' A' ' 81' ' ' THR . 7.3 tpt -48.13 -53.76 15.58 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.378 -0.826 . . . . 0.0 109.88 -179.427 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.543 ' CG2' ' O ' ' B' ' 4' ' ' GLU . 18.1 t -64.68 -28.74 45.53 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.567 0 O-C-N 121.322 -0.861 . . . . 0.0 109.563 -179.405 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.619 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . . . -66.45 -33.07 74.88 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.137 -0.977 . . . . 0.0 108.927 179.445 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 1.006 HD13 ' HE1' ' B' ' 74' ' ' MET . 0.4 OUTLIER -60.69 -50.22 74.36 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 179.502 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.985 HG23 ' CE1' ' A' ' 88' ' ' PHE . 10.3 mt -50.15 -27.76 4.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.055 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -66.94 -48.08 69.69 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.658 -0.651 . . . . 0.0 109.362 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.926 HG22 ' HB3' ' A' ' 2' ' ' GLU . 47.7 t -47.2 -45.17 8.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.397 -0.814 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.402 ' CE1' ' HD1' ' B' ' 70' ' ' PHE . 1.2 t80 -55.3 -54.46 43.25 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.203 -0.936 . . . . 0.0 109.499 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -59.48 -21.14 59.69 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.151 -0.968 . . . . 0.0 108.997 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -79.77 -29.88 40.56 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.476 -0.765 . . . . 0.0 109.436 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.538 ' CE2' HD21 ' B' ' 35' ' ' LEU . 73.2 m-85 -106.63 -80.23 0.56 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.313 -0.867 . . . . 0.0 109.584 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.408 ' C ' ' O ' ' B' ' 17' ' ' TYR . 0.2 OUTLIER -43.84 -32.73 1.14 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.376 -0.827 . . . . 0.0 109.684 -179.864 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.53 46.45 3.18 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.96 -1.256 . . . . 0.0 109.96 -179.605 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.453 ' CD ' ' O ' ' B' ' 20' ' ' ARG . 0.0 OUTLIER -154.01 19.99 0.51 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.162 -1.199 . . . . 0.0 109.589 179.67 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -137.58 -69.48 0.45 Allowed 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.275 -0.89 . . . . 0.0 109.526 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -157.65 -90.95 0.08 OUTLIER Glycine 0 N--CA 1.489 2.177 0 N-CA-C 109.678 -1.369 . . . . 0.0 109.678 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -53.68 169.04 0.15 Allowed 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.204 -1.174 . . . . 0.0 109.377 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.06 40.21 3.23 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.248 -0.907 . . . . 0.0 109.582 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 -165.52 23.39 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.238 -0.914 . . . . 0.0 109.735 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.418 ' O ' ' HG3' ' B' ' 26' ' ' LYS . 14.1 ptpt -150.57 151.53 32.73 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.093 -1.004 . . . . 0.0 109.662 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.71 -154.24 0.51 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.33 -0.856 . . . . 0.0 109.262 179.598 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.47 ' HG2' ' O ' ' B' ' 66' ' ' GLY . 3.9 mtmt -143.29 131.08 21.44 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.317 -0.864 . . . . 0.0 109.132 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.531 ' O ' ' CD2' ' B' ' 60' ' ' LEU . 0.6 OUTLIER -49.71 -27.19 4.47 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.157 -0.964 . . . . 0.0 109.499 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.459 ' OG ' ' O ' ' B' ' 64' ' ' GLY . 0.3 OUTLIER -68.31 -42.74 78.98 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.2 -0.937 . . . . 0.0 109.588 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.417 ' O ' ' HG3' ' B' ' 34' ' ' GLU . 30.8 tt0 -74.09 -23.12 59.29 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 179.532 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.833 HD13 ' HD2' ' B' ' 73' ' ' PHE . 8.2 tp -74.57 -34.44 62.9 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 178.723 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.895 ' HG3' HD13 ' B' ' 60' ' ' LEU . 54.8 tttt -60.57 -46.35 90.53 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 178.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.556 ' O ' ' CB ' ' B' ' 38' ' ' ASN . 0.0 OUTLIER -71.79 -30.31 65.4 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.181 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.879 ' CD1' HD22 ' A' ' 3' ' ' LEU . 0.2 OUTLIER -56.8 -40.62 76.28 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 179.27 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.741 HD13 HG21 ' B' ' 80' ' ' VAL . 0.4 OUTLIER -81.72 -61.22 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.314 -0.867 . . . . 0.0 110.372 179.877 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -66.14 -3.33 5.38 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.472 -0.767 . . . . 0.0 111.516 -178.233 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.556 ' CB ' ' O ' ' B' ' 34' ' ' GLU . 4.6 t30 -118.21 -75.66 0.58 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.713 -1.242 . . . . 0.0 109.623 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.505 ' HB3' ' HB3' ' A' ' 3' ' ' LEU . 6.5 mm-40 -47.91 -59.66 3.18 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.874 -1.141 . . . . 0.0 108.768 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.948 HD11 ' HG2' ' A' ' 7' ' ' MET . 10.0 mt -70.13 -99.02 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.194 -0.941 . . . . 0.0 108.621 179.336 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 2.4 t 68.05 2.43 3.17 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.077 -1.014 . . . . 0.0 110.534 179.342 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' HIS . . . . . 0.516 ' HB3' ' CE1' ' B' ' 43' ' ' PHE . 2.6 t-80 -62.23 -18.13 60.27 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.781 -1.199 . . . . 0.0 108.723 179.675 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 43' ' ' PHE . . . . . 0.527 ' O ' ' CB ' ' B' ' 44' ' ' LEU . 1.3 m-85 -128.2 -141.49 0.26 Allowed 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.527 ' CB ' ' O ' ' B' ' 43' ' ' PHE . 0.1 OUTLIER 77.39 49.66 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.047 -1.033 . . . . 0.0 109.937 179.589 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.538 ' N ' ' OE1' ' B' ' 45' ' ' GLU . 0.0 OUTLIER -107.03 -60.68 1.65 Allowed 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 106.961 -1.496 . . . . 0.0 106.961 178.716 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.483 ' O ' ' HB ' ' B' ' 47' ' ' ILE . 2.3 mt-10 -113.14 27.62 9.46 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 177.399 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.483 ' HB ' ' O ' ' B' ' 46' ' ' GLU . 1.0 OUTLIER 66.75 143.69 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 -179.037 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.758 ' HB2' ' HB3' ' B' ' 83' ' ' ALA . 4.1 mttt -77.46 -74.16 0.27 Allowed 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.358 -0.839 . . . . 0.0 109.309 -179.159 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.9 ' HB2' ' HB1' ' B' ' 83' ' ' ALA . 0.0 OUTLIER -122.49 106.9 11.44 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.906 -1.121 . . . . 0.0 108.861 179.252 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 50' ' ' GLN . . . . . 0.526 ' O ' ' HB2' ' B' ' 54' ' ' ASP . 4.3 tm0? -46.64 -32.78 3.73 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 120.953 -1.092 . . . . 0.0 109.019 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.48 ' HB2' ' OE2' ' B' ' 49' ' ' GLU . 0.1 OUTLIER -82.13 -63.86 1.3 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.353 -0.842 . . . . 0.0 110.847 -179.72 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.452 HG23 ' HG3' ' B' ' 49' ' ' GLU . 5.7 t -53.93 -60.31 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 O-C-N 120.792 -1.192 . . . . 0.0 108.825 -179.526 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 49.7 t -54.46 -25.4 14.18 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.603 0 O-C-N 121.681 -0.637 . . . . 0.0 109.99 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' ASP . . . . . 0.526 ' HB2' ' O ' ' B' ' 50' ' ' GLN . 1.7 m-20 -69.21 -38.83 78.78 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.986 -1.071 . . . . 0.0 109.945 -179.741 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.88 -49.1 61.11 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.134 -0.979 . . . . 0.0 111.275 -178.517 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.647 HG21 ' CG1' ' B' ' 80' ' ' VAL . 34.2 m -71.82 -45.96 63.09 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.406 0 O-C-N 120.603 -1.311 . . . . 0.0 109.29 -179.372 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.608 ' N ' HG23 ' B' ' 56' ' ' VAL . 39.7 tpp -65.16 -24.72 67.47 Favored 'General case' 0 C--N 1.296 -1.759 0 O-C-N 121.52 -0.738 . . . . 0.0 109.292 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 58' ' ' GLU . . . . . 0.506 ' HB2' ' O ' ' B' ' 54' ' ' ASP . 9.8 mt-10 -75.66 -55.95 5.16 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.093 -1.004 . . . . 0.0 109.274 179.581 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.92 -28.14 67.35 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.121 -0.987 . . . . 0.0 108.383 179.748 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.895 HD13 ' HG3' ' B' ' 33' ' ' LYS . 12.0 mt -66.65 -55.69 14.08 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 179.697 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.0 -0.54 35.83 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.492 -0.755 . . . . 0.0 109.72 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.492 ' HB2' ' O ' ' B' ' 58' ' ' GLU . 5.5 tt0 -77.46 -39.89 45.06 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.106 -0.996 . . . . 0.0 109.64 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.32 -47.26 0.52 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.277 -0.89 . . . . 0.0 109.786 -179.751 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 64' ' ' GLY . . . . . 0.459 ' O ' ' OG ' ' B' ' 30' ' ' SER . . . 58.88 14.26 22.62 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.679 -1.369 . . . . 0.0 109.679 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -134.36 10.25 3.77 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.084 -1.245 . . . . 0.0 109.424 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.47 ' O ' ' HG2' ' B' ' 28' ' ' LYS . . . -89.64 157.41 26.48 Favored Glycine 0 N--CA 1.489 2.224 0 N-CA-C 109.801 -1.32 . . . . 0.0 109.801 -179.697 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -89.92 134.41 34.23 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.292 -1.122 . . . . 0.0 109.426 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.83 178.93 4.27 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.277 -0.889 . . . . 0.0 109.406 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.407 ' H ' ' HB2' ' B' ' 72' ' ' GLU . 3.4 m-20 -118.2 176.6 5.15 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.273 -0.892 . . . . 0.0 109.305 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.48 ' O ' ' HB2' ' B' ' 74' ' ' MET . 6.8 t80 -70.51 -40.69 73.36 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.293 -0.88 . . . . 0.0 109.221 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.501 ' HG3' ' SG ' ' A' ' 84' ' ' CYS . 0.0 OUTLIER -71.65 -27.5 63.11 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.272 -0.893 . . . . 0.0 109.728 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.407 ' HB2' ' H ' ' B' ' 69' ' ' ASP . 0.4 OUTLIER -74.67 -61.3 1.92 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.171 -0.956 . . . . 0.0 108.716 179.704 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.833 ' HD2' HD13 ' B' ' 32' ' ' LEU . 0.0 OUTLIER -53.18 -25.02 12.21 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.403 -0.811 . . . . 0.0 109.126 179.531 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 74' ' ' MET . . . . . 1.006 ' HE1' HD13 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -76.38 -57.07 4.08 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.938 -1.101 . . . . 0.0 109.586 -179.819 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.489 ' O ' ' HG2' ' B' ' 79' ' ' MET . . . -64.0 -13.03 43.44 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.284 -0.885 . . . . 0.0 108.949 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.634 ' HB3' HD21 ' B' ' 32' ' ' LEU . 0.9 OUTLIER -81.42 -48.84 11.38 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.397 -0.814 . . . . 0.0 109.571 179.553 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.772 HG12 ' SD ' ' A' ' 7' ' ' MET . 79.2 t -64.8 -26.96 41.37 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.345 -0.847 . . . . 0.0 109.991 -179.612 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 78' ' ' SER . . . . . 1.018 ' O ' HG22 ' B' ' 82' ' ' THR . 1.4 m -73.35 -54.58 7.99 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.108 -0.995 . . . . 0.0 110.34 -179.276 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 79' ' ' MET . . . . . 0.536 ' SD ' ' CG1' ' B' ' 56' ' ' VAL . 7.8 ptp -52.07 -40.35 61.07 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.042 -1.036 . . . . 0.0 110.66 -178.731 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.741 HG21 HD13 ' B' ' 36' ' ' ILE . 3.3 m -73.63 -40.48 54.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 120.609 -1.307 . . . . 0.0 109.981 -179.742 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 81' ' ' THR . . . . . 1.005 HG21 ' HG3' ' A' ' 7' ' ' MET . 11.2 m -67.25 -16.28 64.19 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.947 -1.096 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 82' ' ' THR . . . . . 1.018 HG22 ' O ' ' B' ' 78' ' ' SER . 2.2 t -132.02 26.34 4.59 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.272 -0.892 . . . . 0.0 109.133 179.754 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.9 ' HB1' ' HB2' ' B' ' 49' ' ' GLU . . . -52.33 -20.83 2.98 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.323 -0.861 . . . . 0.0 109.344 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 84' ' ' CYS . . . . . 0.539 ' CB ' ' O ' ' B' ' 83' ' ' ALA . 10.3 m 81.95 -167.53 0.02 OUTLIER 'General case' 0 N--CA 1.499 2.002 0 CA-C-O 121.625 0.726 . . . . 0.0 111.03 179.023 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 85' ' ' HIS . . . . . 0.532 ' HB3' ' O ' ' B' ' 48' ' ' LYS . 1.1 t-80 80.85 79.68 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.737 -0.602 . . . . 0.0 109.432 -179.615 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 60.21 103.04 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.235 -0.916 . . . . 0.0 109.409 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 87' ' ' PHE . . . . . 0.646 ' CE2' ' CD1' ' B' ' 88' ' ' PHE . 0.5 OUTLIER -161.52 -159.96 0.67 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.238 -0.914 . . . . 0.0 109.206 179.899 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 1.01 ' CE1' HG23 ' A' ' 11' ' ' ILE . 4.2 m-30 48.42 32.54 3.35 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.209 -0.932 . . . . 0.0 109.979 179.595 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.452 ' O ' ' CD2' ' B' ' 90' ' ' HIS . 0.3 OUTLIER -126.21 -37.74 2.2 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.149 -0.969 . . . . 0.0 109.219 179.621 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 90' ' ' HIS . . . . . 0.579 ' CG ' ' O ' ' B' ' 90' ' ' HIS . 0.0 OUTLIER 57.71 14.89 2.63 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.373 -0.83 . . . . 0.0 109.718 179.682 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 . . . . . 0 C--N 1.305 -1.369 0 O-C-N 121.04 -1.038 . . . . 0.0 109.586 -179.941 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 0' ' ' MET . . . . . 0.452 ' H2 ' ' HD2' ' A' ' 5' ' ' LYS . 10.8 ttm . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.539 ' CB ' ' HG2' ' B' ' 39' ' ' GLU . 1.3 p -114.78 174.03 6.17 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.287 -0.883 . . . . 0.0 109.593 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.971 ' HB3' HG22 ' B' ' 13' ' ' VAL . 0.3 OUTLIER -80.13 -30.77 39.07 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.179 -0.951 . . . . 0.0 110.312 -179.404 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 1.012 HD22 HD12 ' B' ' 35' ' ' LEU . 15.9 tp -80.35 -53.23 6.81 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.126 -0.984 . . . . 0.0 110.301 -179.199 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.563 ' O ' HG23 ' A' ' 8' ' ' VAL . 2.0 tt0 -53.82 -51.36 63.8 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 120.987 -1.07 . . . . 0.0 109.991 -179.019 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.656 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 5.6 mmpt? -64.27 -34.34 77.89 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.987 -1.07 . . . . 0.0 110.446 -179.254 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.605 ' CB ' ' HB3' ' B' ' 9' ' ' ALA . . . -80.02 -72.75 0.39 Allowed 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.028 -1.045 . . . . 0.0 110.21 -179.263 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' MET . . . . . 1.024 ' HE2' HG12 ' B' ' 77' ' ' VAL . 12.3 tpp -43.61 -49.59 7.58 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.411 -0.805 . . . . 0.0 109.868 -179.551 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 4' ' ' GLU . 13.5 t -67.05 -34.58 70.71 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.641 0 O-C-N 121.449 -0.782 . . . . 0.0 109.911 -179.051 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.656 ' HB2' ' O ' ' A' ' 5' ' ' LYS . . . -57.86 -41.07 81.67 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.013 -1.054 . . . . 0.0 108.871 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.505 ' CD1' ' HA ' ' B' ' 7' ' ' MET . 0.1 OUTLIER -56.74 -53.27 59.68 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.279 -0.888 . . . . 0.0 108.779 179.317 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.662 ' H ' HD12 ' A' ' 11' ' ' ILE . 2.6 mp -50.01 -28.94 4.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.339 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -63.7 -49.66 72.23 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.506 -0.746 . . . . 0.0 109.054 179.519 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.946 HG22 ' HB3' ' B' ' 2' ' ' GLU . 71.3 t -49.87 -37.47 12.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.368 -0.832 . . . . 0.0 109.102 179.747 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.466 ' CD1' ' HB3' ' A' ' 18' ' ' SER . 2.4 t80 -60.39 -41.64 94.26 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.386 -0.822 . . . . 0.0 109.707 -179.803 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -70.05 -19.07 63.31 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.128 -0.982 . . . . 0.0 109.411 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -79.19 -54.38 6.04 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.344 -0.847 . . . . 0.0 109.609 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.558 ' CD1' HD21 ' A' ' 35' ' ' LEU . 57.7 m-85 -79.52 -54.96 5.39 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.256 -0.902 . . . . 0.0 109.419 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 24' ' ' LYS . 0.8 OUTLIER -84.87 63.75 8.23 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.362 -0.836 . . . . 0.0 109.439 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -167.89 -41.7 0.03 OUTLIER Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.39 -1.484 . . . . 0.0 109.39 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.2 ptt180 -94.38 -14.47 25.28 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.266 -1.138 . . . . 0.0 109.371 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -93.04 -159.7 0.7 Allowed 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.306 -0.871 . . . . 0.0 109.452 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.51 -61.43 4.45 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.766 -1.334 . . . . 0.0 109.766 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -57.7 -168.55 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.392 -1.064 . . . . 0.0 109.621 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.495 ' O ' ' CB ' ' A' ' 18' ' ' SER . 24.5 tttp -162.41 -74.71 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.25 -0.906 . . . . 0.0 109.283 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.546 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -88.02 6.87 33.92 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.086 -1.009 . . . . 0.0 109.213 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt -132.16 131.91 42.69 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.246 -0.909 . . . . 0.0 109.217 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.705 HD13 ' CD1' ' A' ' 73' ' ' PHE . 0.4 OUTLIER -94.98 -155.7 0.48 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.199 -0.938 . . . . 0.0 109.484 -179.882 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.409 ' HG2' ' O ' ' A' ' 66' ' ' GLY . 11.2 mtpt -149.64 164.09 36.13 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.292 -0.88 . . . . 0.0 109.208 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.518 ' O ' ' CD2' ' A' ' 60' ' ' LEU . 6.6 mtpp -75.66 -26.5 57.72 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.109 -0.995 . . . . 0.0 109.393 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.475 ' HB2' ' O ' ' A' ' 64' ' ' GLY . 44.6 t -80.04 -35.46 37.17 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.281 -0.887 . . . . 0.0 109.332 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.504 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 7.2 tt0 -85.48 -19.02 31.87 Favored 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.061 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.92 HD13 ' CD1' ' A' ' 73' ' ' PHE . 13.3 tp -80.38 -38.92 29.42 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 178.295 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.65 ' HB2' HD22 ' A' ' 60' ' ' LEU . 1.7 tttt -59.44 -38.25 80.21 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 179.017 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.524 ' HG3' ' N ' ' A' ' 35' ' ' LEU . 9.8 pt-20 -77.91 -40.5 39.55 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 179.714 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.99 HD12 HD22 ' B' ' 3' ' ' LEU . 0.1 OUTLIER -50.67 -45.78 58.28 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-O 121.299 0.571 . . . . 0.0 109.487 179.696 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.829 ' CG2' HD22 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -80.65 -53.14 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.233 -0.917 . . . . 0.0 110.161 -179.767 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -65.75 -2.05 3.35 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.384 -0.822 . . . . 0.0 111.29 -178.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.447 ' HB2' ' O ' ' A' ' 34' ' ' GLU . 32.3 t30 -109.0 -56.79 2.23 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.749 -1.22 . . . . 0.0 109.924 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.551 ' CB ' ' HB3' ' B' ' 3' ' ' LEU . 1.8 mt-10 -105.06 27.29 8.33 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.279 -0.888 . . . . 0.0 110.012 -179.683 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.829 HD22 ' CG2' ' A' ' 36' ' ' ILE . 0.4 OUTLIER -148.11 -30.97 0.29 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.142 -0.974 . . . . 0.0 110.379 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.19 -10.05 2.57 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.014 -1.054 . . . . 0.0 110.382 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 8.9 t-80 -60.1 -22.7 63.09 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.833 -1.167 . . . . 0.0 109.228 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.563 ' CG ' ' CD2' ' A' ' 85' ' ' HIS . 92.7 m-85 -95.73 -13.96 23.75 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.281 -0.887 . . . . 0.0 109.68 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.939 HD13 ' SG ' ' A' ' 84' ' ' CYS . 2.3 mm? -64.67 131.46 46.99 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.184 -0.948 . . . . 0.0 109.515 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' A' ' 43' ' ' PHE . 0.4 OUTLIER -179.68 -36.05 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.258 -0.901 . . . . 0.0 109.59 179.921 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.445 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 0.9 OUTLIER -121.1 -46.09 2.33 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.239 -0.913 . . . . 0.0 109.758 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.513 ' CG1' ' SG ' ' A' ' 84' ' ' CYS . 8.7 mt 68.4 124.28 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.185 -0.947 . . . . 0.0 109.817 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -108.7 -41.12 4.87 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.304 -0.873 . . . . 0.0 109.177 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.494 ' HB3' ' HB ' ' A' ' 52' ' ' VAL . 2.2 mm-40 -99.86 87.49 3.53 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.339 -0.85 . . . . 0.0 109.149 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.534 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 5.8 tp60 -59.97 -24.02 64.07 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.259 -0.9 . . . . 0.0 109.791 -179.626 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.442 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 25.5 mt-10 -80.22 -35.29 36.39 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.107 -0.996 . . . . 0.0 109.954 -179.782 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.639 HG11 ' O ' ' A' ' 79' ' ' MET . 69.8 t -68.39 -53.61 27.23 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.164 -0.96 . . . . 0.0 109.521 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 48.5 t -69.7 -30.71 45.87 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.249 -0.907 . . . . 0.0 109.564 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.534 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 16.2 t0 -76.74 -22.04 54.39 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.198 -0.939 . . . . 0.0 108.964 179.659 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.442 ' HB2' ' O ' ' A' ' 51' ' ' GLU . 5.2 mtpt -80.75 -49.97 10.47 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.242 -0.911 . . . . 0.0 109.618 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.708 HG21 ' CG1' ' A' ' 80' ' ' VAL . 33.7 m -69.62 -46.46 75.24 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.307 0 O-C-N 121.064 -1.022 . . . . 0.0 108.942 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.579 ' N ' HG23 ' A' ' 56' ' ' VAL . 23.3 tpp -63.3 -24.13 67.73 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.19 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.522 ' CG ' ' O ' ' A' ' 54' ' ' ASP . 7.9 mt-10 -74.38 -57.24 4.07 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.423 -0.798 . . . . 0.0 109.299 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.458 ' O ' ' HE2' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -60.79 -24.01 65.47 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 179.512 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.65 HD22 ' HB2' ' A' ' 33' ' ' LYS . 11.3 mt -70.29 -53.62 16.08 Favored 'General case' 0 C--N 1.302 -1.468 0 CA-C-O 121.427 0.632 . . . . 0.0 109.555 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -75.61 -10.3 59.32 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.504 -0.747 . . . . 0.0 109.87 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.04 -52.85 12.8 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.12 -0.987 . . . . 0.0 109.852 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.502 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 3.4 t70 -139.61 54.58 1.68 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.304 -0.873 . . . . 0.0 109.562 -179.676 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.475 ' O ' ' HB2' ' A' ' 30' ' ' SER . . . -40.34 -28.06 0.17 Allowed Glycine 0 N--CA 1.493 2.444 0 N-CA-C 110.017 -1.233 . . . . 0.0 110.017 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 63' ' ' ASP . 20.6 t70 -89.56 39.88 0.97 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.135 -1.215 . . . . 0.0 109.454 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.409 ' O ' ' HG2' ' A' ' 28' ' ' LYS . . . -109.37 -171.04 20.56 Favored Glycine 0 N--CA 1.488 2.109 0 N-CA-C 109.741 -1.344 . . . . 0.0 109.741 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 67' ' ' GLU . 7.6 pt-20 -124.45 137.19 54.46 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.316 -1.108 . . . . 0.0 109.59 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 95.4 m -107.92 172.45 6.82 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.33 -0.856 . . . . 0.0 109.143 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -111.16 -175.41 2.7 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.188 -0.945 . . . . 0.0 109.505 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.505 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 9.1 p90 -77.03 -39.99 48.09 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.342 -0.849 . . . . 0.0 109.565 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.675 ' HA ' HG21 ' B' ' 82' ' ' THR . 0.7 OUTLIER -79.91 -26.5 40.15 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.127 -0.983 . . . . 0.0 109.515 -179.895 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.498 ' N ' ' HG3' ' A' ' 71' ' ' GLN . 1.6 mt-10 -76.66 -54.79 6.18 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.259 -0.901 . . . . 0.0 109.163 179.608 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.92 ' CD1' HD13 ' A' ' 32' ' ' LEU . 15.8 t80 -58.3 -17.87 22.93 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 179.234 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.632 ' HA ' ' CE ' ' A' ' 74' ' ' MET . 0.2 OUTLIER -79.95 -63.82 1.33 Allowed 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.507 -0.746 . . . . 0.0 109.337 179.62 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.478 ' O ' ' HG3' ' A' ' 79' ' ' MET . . . -62.28 -13.01 23.92 Favored 'General case' 0 C--N 1.295 -1.767 0 C-N-CA 119.431 -0.908 . . . . 0.0 109.409 -179.559 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.616 ' CD1' HG12 ' A' ' 56' ' ' VAL . 0.3 OUTLIER -79.17 -44.73 21.33 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.289 -0.882 . . . . 0.0 108.875 179.574 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.968 HG12 ' HE2' ' B' ' 7' ' ' MET . 74.5 t -70.2 -27.58 32.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.542 -0.724 . . . . 0.0 109.357 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.918 ' HA ' ' HE3' ' B' ' 7' ' ' MET . 45.3 m -78.74 -51.64 9.51 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.4 -0.813 . . . . 0.0 109.965 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.639 ' O ' HG11 ' A' ' 52' ' ' VAL . 1.1 mmm -46.05 -39.32 9.05 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.193 -0.942 . . . . 0.0 110.073 -179.705 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.708 ' CG1' HG21 ' A' ' 56' ' ' VAL . 35.5 m -76.86 -48.45 25.68 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.181 -0.95 . . . . 0.0 110.347 -179.251 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.714 HG21 ' HG3' ' B' ' 7' ' ' MET . 0.4 OUTLIER -64.28 -10.78 26.07 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.026 -1.046 . . . . 0.0 109.619 -179.75 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.65 HG21 ' HA ' ' B' ' 71' ' ' GLN . 0.9 OUTLIER -99.54 -37.14 9.29 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.206 -0.934 . . . . 0.0 109.0 179.709 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.407 ' HB2' HG11 ' A' ' 52' ' ' VAL . . . -74.92 -76.14 0.15 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.439 -0.788 . . . . 0.0 109.394 179.789 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.939 ' SG ' HD13 ' A' ' 44' ' ' LEU . 33.9 t -96.41 88.01 4.61 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.228 -0.92 . . . . 0.0 109.306 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.563 ' CD2' ' CG ' ' A' ' 43' ' ' PHE . 37.6 t-80 -156.18 163.13 39.97 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.155 -0.966 . . . . 0.0 109.711 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.549 ' HG3' ' CB ' ' A' ' 89' ' ' GLU . 1.0 OUTLIER -85.63 46.38 1.3 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.326 -0.859 . . . . 0.0 109.059 179.721 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.693 ' CD1' ' CZ ' ' A' ' 88' ' ' PHE . 0.3 OUTLIER -54.4 -40.92 68.69 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.349 -0.844 . . . . 0.0 109.975 -179.609 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.693 ' CZ ' ' CD1' ' A' ' 87' ' ' PHE . 4.7 m-85 -143.91 43.08 1.45 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.001 -1.062 . . . . 0.0 110.125 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.549 ' CB ' ' HG3' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -112.54 -39.33 4.38 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.03 -1.044 . . . . 0.0 109.302 179.553 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.452 ' O ' ' CB ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -171.9 39.88 0.02 OUTLIER 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.409 -0.807 . . . . 0.0 109.37 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.452 ' CB ' ' O ' ' A' ' 90' ' ' HIS . 1.9 tt0 . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 117.953 -1.022 . . . . 0.0 109.494 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 10.8 ttm . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' SER . . . . . 0.547 ' CB ' ' HG2' ' A' ' 39' ' ' GLU . 1.3 p -114.83 174.05 6.17 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.221 -0.924 . . . . 0.0 109.656 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.946 ' HB3' HG22 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -80.11 -30.83 39.16 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.141 -0.974 . . . . 0.0 110.407 -179.432 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.99 HD22 HD12 ' A' ' 35' ' ' LEU . 15.8 tp -80.33 -53.2 6.85 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.173 -0.955 . . . . 0.0 110.336 -179.268 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.577 ' O ' HG23 ' B' ' 8' ' ' VAL . 2.0 tt0 -53.85 -51.37 63.8 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 121.033 -1.042 . . . . 0.0 109.988 -179.038 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.659 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 5.6 mmpt? -64.2 -34.33 77.84 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.017 -1.052 . . . . 0.0 110.448 -179.249 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.588 ' CB ' ' HB3' ' A' ' 9' ' ' ALA . . . -80.12 -72.65 0.4 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.071 -1.018 . . . . 0.0 110.253 -179.217 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 7' ' ' MET . . . . . 0.968 ' HE2' HG12 ' A' ' 77' ' ' VAL . 12.6 tpp -43.63 -49.54 7.64 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.428 -0.795 . . . . 0.0 109.927 -179.605 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.577 HG23 ' O ' ' B' ' 4' ' ' GLU . 13.5 t -67.08 -34.51 70.18 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 O-C-N 121.383 -0.823 . . . . 0.0 109.955 -179.064 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.659 ' HB2' ' O ' ' B' ' 5' ' ' LYS . . . -57.9 -41.01 81.69 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.097 -1.002 . . . . 0.0 108.905 179.499 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.526 ' CD1' ' HA ' ' A' ' 7' ' ' MET . 0.1 OUTLIER -56.8 -53.24 60.16 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.284 -0.885 . . . . 0.0 108.748 179.34 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.664 ' H ' HD12 ' B' ' 11' ' ' ILE . 2.6 mp -49.97 -29.02 4.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.154 -0.966 . . . . 0.0 108.409 179.284 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -63.63 -49.68 72.35 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.456 -0.778 . . . . 0.0 109.096 179.523 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.971 HG22 ' HB3' ' A' ' 2' ' ' GLU . 71.0 t -49.71 -37.57 12.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.351 -0.843 . . . . 0.0 109.167 179.69 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.46 ' CD1' ' HB3' ' B' ' 18' ' ' SER . 2.4 t80 -60.49 -41.55 94.49 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.384 -0.823 . . . . 0.0 109.724 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -70.0 -19.05 63.35 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.175 -0.953 . . . . 0.0 109.462 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -79.2 -54.45 5.97 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.37 -0.831 . . . . 0.0 109.583 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.553 ' CD1' HD21 ' B' ' 35' ' ' LEU . 58.0 m-85 -79.43 -54.99 5.39 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.193 -0.942 . . . . 0.0 109.422 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' B' ' 24' ' ' LYS . 0.8 OUTLIER -84.84 63.71 8.19 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.41 -0.806 . . . . 0.0 109.384 -179.914 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -167.87 -41.7 0.03 OUTLIER Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.395 -1.482 . . . . 0.0 109.395 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 24.2 ptt180 -94.4 -14.48 25.22 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.319 -1.106 . . . . 0.0 109.285 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -93.04 -159.63 0.69 Allowed 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.356 -0.84 . . . . 0.0 109.404 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.55 -61.48 4.41 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.711 -1.355 . . . . 0.0 109.711 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -57.68 -168.53 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.505 -0.997 . . . . 0.0 109.662 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.5 ' O ' ' CB ' ' B' ' 18' ' ' SER . 24.6 tttp -162.39 -74.7 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.257 -0.902 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 25' ' ' HIS . . . . . 0.545 ' CG ' ' O ' ' B' ' 25' ' ' HIS . 0.0 OUTLIER -88.05 6.88 34.04 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.132 -0.98 . . . . 0.0 109.217 179.857 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt -132.07 131.91 42.85 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.184 -0.948 . . . . 0.0 109.249 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.707 HD13 ' CD1' ' B' ' 73' ' ' PHE . 0.4 OUTLIER -95.05 -155.65 0.48 Allowed 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.086 -1.009 . . . . 0.0 109.481 -179.911 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 11.2 mtpt -149.7 164.05 36.26 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.298 -0.876 . . . . 0.0 109.218 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.52 ' O ' ' CD2' ' B' ' 60' ' ' LEU . 6.6 mtpp -75.66 -26.52 57.76 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.154 -0.966 . . . . 0.0 109.348 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.484 ' HB2' ' O ' ' B' ' 64' ' ' GLY . 44.5 t -80.0 -35.55 37.23 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.368 -0.832 . . . . 0.0 109.294 179.728 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.513 ' O ' ' HG2' ' B' ' 34' ' ' GLU . 7.3 tt0 -85.45 -19.08 31.83 Favored 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 179.144 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.918 HD13 ' CD1' ' B' ' 73' ' ' PHE . 13.3 tp -80.49 -38.84 29.09 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 178.337 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.646 ' HB2' HD22 ' B' ' 60' ' ' LEU . 1.7 tttt -59.43 -38.25 80.18 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 179.025 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.543 ' HG3' ' N ' ' B' ' 35' ' ' LEU . 9.9 pt-20 -77.97 -40.56 38.93 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 179.783 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 1.012 HD12 HD22 ' A' ' 3' ' ' LEU . 0.1 OUTLIER -50.66 -45.78 58.18 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.641 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.814 ' CG2' HD22 ' B' ' 40' ' ' LEU . 0.4 OUTLIER -80.68 -53.24 12.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.239 -0.913 . . . . 0.0 110.056 -179.757 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -65.62 -2.19 3.31 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.424 -0.797 . . . . 0.0 111.271 -178.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.439 ' HB2' ' O ' ' B' ' 34' ' ' GLU . 32.4 t30 -108.97 -56.85 2.22 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.796 -1.19 . . . . 0.0 109.887 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.539 ' HG2' ' CB ' ' A' ' 1' ' ' SER . 1.8 mt-10 -104.97 27.19 8.38 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.164 -0.96 . . . . 0.0 110.012 -179.617 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.814 HD22 ' CG2' ' B' ' 36' ' ' ILE . 0.4 OUTLIER -148.15 -30.93 0.29 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.15 -0.969 . . . . 0.0 110.385 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.12 -10.1 2.5 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.058 -1.026 . . . . 0.0 110.444 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -60.01 -22.72 62.96 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.894 -1.129 . . . . 0.0 109.367 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' PHE . . . . . 0.557 ' CG ' ' CD2' ' B' ' 85' ' ' HIS . 92.5 m-85 -95.71 -13.83 23.89 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.235 -0.916 . . . . 0.0 109.733 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.923 HD13 ' SG ' ' B' ' 84' ' ' CYS . 2.3 mm? -64.67 131.52 47.14 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.238 -0.914 . . . . 0.0 109.523 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.499 ' HG2' ' O ' ' B' ' 43' ' ' PHE . 0.4 OUTLIER -179.71 -36.13 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.187 -0.946 . . . . 0.0 109.637 179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.44 ' O ' ' HB ' ' B' ' 47' ' ' ILE . 0.9 OUTLIER -121.03 -46.09 2.34 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.217 -0.927 . . . . 0.0 109.764 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.508 ' CG1' ' SG ' ' B' ' 84' ' ' CYS . 8.7 mt 68.37 124.2 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.18 -0.95 . . . . 0.0 109.848 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -108.65 -41.23 4.85 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.317 -0.864 . . . . 0.0 109.103 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.506 ' HB3' ' HB ' ' B' ' 52' ' ' VAL . 2.2 mm-40 -99.68 87.51 3.58 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.291 -0.88 . . . . 0.0 109.212 179.742 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 50' ' ' GLN . . . . . 0.526 ' O ' ' CB ' ' B' ' 54' ' ' ASP . 5.9 tp60 -59.93 -24.07 64.05 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.334 -0.854 . . . . 0.0 109.809 -179.673 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.44 ' O ' ' HB2' ' B' ' 55' ' ' LYS . 25.4 mt-10 -80.16 -35.38 36.6 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.188 -0.945 . . . . 0.0 109.882 -179.738 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.63 HG11 ' O ' ' B' ' 79' ' ' MET . 70.1 t -68.35 -53.56 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.126 -0.984 . . . . 0.0 109.508 -179.816 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 48.0 t -69.81 -30.73 45.7 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 121.277 -0.889 . . . . 0.0 109.47 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 54' ' ' ASP . . . . . 0.526 ' CB ' ' O ' ' B' ' 50' ' ' GLN . 16.3 t0 -76.68 -22.02 54.56 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.142 -0.974 . . . . 0.0 109.037 179.623 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.44 ' HB2' ' O ' ' B' ' 51' ' ' GLU . 5.2 mtpt -80.75 -50.01 10.42 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.417 -0.802 . . . . 0.0 109.675 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.698 HG21 ' CG1' ' B' ' 80' ' ' VAL . 33.3 m -69.6 -46.47 75.34 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.357 0 O-C-N 121.117 -0.989 . . . . 0.0 108.882 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.584 ' N ' HG23 ' B' ' 56' ' ' VAL . 23.3 tpp -63.37 -24.08 67.69 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.779 -0.822 . . . . 0.0 108.779 179.211 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 58' ' ' GLU . . . . . 0.521 ' CG ' ' O ' ' B' ' 54' ' ' ASP . 7.8 mt-10 -74.32 -57.12 4.15 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.327 -0.858 . . . . 0.0 109.322 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 59' ' ' THR . . . . . 0.459 ' O ' ' HE2' ' B' ' 29' ' ' LYS . 0.2 OUTLIER -60.94 -23.93 65.67 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.108 -0.995 . . . . 0.0 108.492 179.525 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.646 HD22 ' HB2' ' B' ' 33' ' ' LYS . 11.3 mt -70.18 -53.8 15.61 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-O 121.384 0.611 . . . . 0.0 109.527 179.708 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -75.45 -10.36 59.38 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.622 -0.674 . . . . 0.0 109.982 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.08 -52.79 12.95 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.243 -0.91 . . . . 0.0 109.849 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.491 ' O ' ' HD3' ' B' ' 29' ' ' LYS . 3.3 t70 -139.57 54.49 1.68 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.334 -0.854 . . . . 0.0 109.648 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 64' ' ' GLY . . . . . 0.484 ' O ' ' HB2' ' B' ' 30' ' ' SER . . . -40.32 -28.04 0.17 Allowed Glycine 0 N--CA 1.493 2.449 0 N-CA-C 110.066 -1.213 . . . . 0.0 110.066 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' B' ' 63' ' ' ASP . 20.7 t70 -89.54 39.9 0.97 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.166 -1.197 . . . . 0.0 109.417 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -109.38 -171.04 20.55 Favored Glycine 0 N--CA 1.487 2.073 0 N-CA-C 109.741 -1.343 . . . . 0.0 109.741 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' B' ' 67' ' ' GLU . 7.6 pt-20 -124.42 137.26 54.46 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.218 -1.166 . . . . 0.0 109.556 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 95.3 m -107.98 172.38 6.87 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.242 -0.911 . . . . 0.0 109.144 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -111.04 -175.32 2.68 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.219 -0.925 . . . . 0.0 109.61 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.513 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 9.0 p90 -77.15 -39.85 47.66 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.308 -0.87 . . . . 0.0 109.56 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.65 ' HA ' HG21 ' A' ' 82' ' ' THR . 0.7 OUTLIER -80.05 -26.44 39.72 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.2 -0.937 . . . . 0.0 109.52 -179.907 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.504 ' N ' ' HG3' ' B' ' 71' ' ' GLN . 1.6 mt-10 -76.69 -54.8 6.16 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.169 -0.957 . . . . 0.0 109.081 179.654 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.918 ' CD1' HD13 ' B' ' 32' ' ' LEU . 16.0 t80 -58.26 -17.96 23.13 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 179.184 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.627 ' HA ' ' CE ' ' B' ' 74' ' ' MET . 0.2 OUTLIER -79.79 -63.87 1.32 Allowed 'General case' 0 N--CA 1.486 1.366 0 O-C-N 121.42 -0.8 . . . . 0.0 109.304 179.61 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.483 ' O ' ' HG3' ' B' ' 79' ' ' MET . . . -62.48 -12.89 24.78 Favored 'General case' 0 C--N 1.296 -1.744 0 C-N-CA 119.444 -0.903 . . . . 0.0 109.37 -179.403 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.621 ' CD1' HG12 ' B' ' 56' ' ' VAL . 0.3 OUTLIER -79.15 -44.81 21.22 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.324 -0.86 . . . . 0.0 108.763 179.548 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 1.024 HG12 ' HE2' ' A' ' 7' ' ' MET . 75.0 t -70.12 -27.65 33.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.564 -0.71 . . . . 0.0 109.36 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 78' ' ' SER . . . . . 0.907 ' HA ' ' HE3' ' A' ' 7' ' ' MET . 44.4 m -78.75 -51.53 9.66 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.305 -0.872 . . . . 0.0 109.987 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 79' ' ' MET . . . . . 0.63 ' O ' HG11 ' B' ' 52' ' ' VAL . 1.1 mmm -46.2 -39.22 9.42 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.291 -0.881 . . . . 0.0 110.049 -179.724 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.698 ' CG1' HG21 ' B' ' 56' ' ' VAL . 35.4 m -76.82 -48.5 25.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 121.205 -0.934 . . . . 0.0 110.319 -179.326 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.673 HG21 ' HG3' ' A' ' 7' ' ' MET . 0.4 OUTLIER -64.3 -10.75 26.02 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.117 -0.99 . . . . 0.0 109.622 -179.666 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.675 HG21 ' HA ' ' A' ' 71' ' ' GLN . 0.9 OUTLIER -99.56 -37.21 9.26 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.145 -0.972 . . . . 0.0 109.006 179.684 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.414 ' HB2' HG11 ' B' ' 52' ' ' VAL . . . -74.85 -76.13 0.15 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.272 -0.892 . . . . 0.0 109.426 179.783 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 84' ' ' CYS . . . . . 0.923 ' SG ' HD13 ' B' ' 44' ' ' LEU . 33.9 t -96.36 88.02 4.63 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.227 -0.92 . . . . 0.0 109.312 179.765 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 85' ' ' HIS . . . . . 0.557 ' CD2' ' CG ' ' B' ' 43' ' ' PHE . 37.6 t-80 -156.27 163.08 39.97 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.16 -0.962 . . . . 0.0 109.736 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 86' ' ' GLU . . . . . 0.547 ' HG3' ' CB ' ' B' ' 89' ' ' GLU . 1.0 OUTLIER -85.74 46.49 1.32 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.408 -0.808 . . . . 0.0 109.074 179.789 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 87' ' ' PHE . . . . . 0.702 ' CD1' ' CZ ' ' B' ' 88' ' ' PHE . 0.3 OUTLIER -54.57 -40.79 69.1 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.439 -0.788 . . . . 0.0 109.924 -179.536 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.702 ' CZ ' ' CD1' ' B' ' 87' ' ' PHE . 4.8 m-85 -143.99 43.07 1.45 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.044 -1.035 . . . . 0.0 110.135 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.547 ' CB ' ' HG3' ' B' ' 86' ' ' GLU . 0.4 OUTLIER -112.62 -39.16 4.4 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.047 -1.033 . . . . 0.0 109.247 179.588 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 90' ' ' HIS . . . . . 0.444 ' O ' ' CB ' ' B' ' 91' ' ' GLU . 0.0 OUTLIER -172.05 40.01 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.441 -0.787 . . . . 0.0 109.356 179.876 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.444 ' CB ' ' O ' ' B' ' 90' ' ' HIS . 1.9 tt0 . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 117.967 -1.016 . . . . 0.0 109.522 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.288 0.566 . . . . 0.0 109.558 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.503 ' OG ' ' HB3' ' A' ' 4' ' ' GLU . 36.5 p -123.53 -177.0 3.59 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.2 -0.938 . . . . 0.0 109.568 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.895 ' HB2' HG22 ' B' ' 13' ' ' VAL . 2.4 mm-40 -80.08 -44.14 20.55 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.272 -0.893 . . . . 0.0 109.912 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.748 HD11 HD21 ' B' ' 10' ' ' LEU . 6.3 tp -75.75 -47.53 25.56 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.357 -0.839 . . . . 0.0 110.537 -178.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.533 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 4.5 tt0 -64.19 -49.39 72.23 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.952 -1.092 . . . . 0.0 110.514 -179.031 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.665 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.3 OUTLIER -69.71 -36.37 75.85 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.001 -1.062 . . . . 0.0 110.339 -179.166 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.681 ' HB1' ' HB3' ' B' ' 9' ' ' ALA . . . -80.37 -67.62 0.75 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.014 -1.054 . . . . 0.0 110.154 -179.415 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.898 ' HE2' HG12 ' B' ' 77' ' ' VAL . 4.3 tpt -45.96 -53.48 9.93 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.308 -0.87 . . . . 0.0 109.501 -179.557 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.533 ' CG2' ' O ' ' A' ' 4' ' ' GLU . 21.4 t -62.12 -38.23 80.38 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.555 0 C-N-CA 119.64 -0.824 . . . . 0.0 109.158 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.681 ' HB3' ' HB1' ' B' ' 6' ' ' ALA . . . -53.13 -37.68 62.01 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 179.06 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.761 HD21 HD11 ' B' ' 3' ' ' LEU . 0.5 OUTLIER -55.25 -46.79 76.06 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 178.94 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.678 HG23 ' HE1' ' B' ' 88' ' ' PHE . 1.7 mp -56.24 -33.05 36.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.026 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -60.11 -49.62 76.93 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.523 -0.735 . . . . 0.0 109.293 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.915 HG22 ' HB2' ' B' ' 2' ' ' GLU . 69.6 t -49.21 -49.28 17.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.191 -0.943 . . . . 0.0 109.059 179.719 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.551 ' CE1' ' CD2' ' A' ' 73' ' ' PHE . 0.6 OUTLIER -44.67 -59.76 2.33 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.471 -0.768 . . . . 0.0 109.65 -179.904 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 29.6 t-80 -54.55 -34.83 62.48 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.168 -0.958 . . . . 0.0 109.644 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.48 -36.85 83.79 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.309 -0.87 . . . . 0.0 109.783 -179.657 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.812 ' CD1' HD21 ' A' ' 35' ' ' LEU . 73.2 m-85 -102.34 15.7 28.41 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.251 -0.906 . . . . 0.0 109.533 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.62 -7.0 7.43 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.161 -0.962 . . . . 0.0 109.465 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.06 -21.16 68.5 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.481 -1.448 . . . . 0.0 109.481 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -153.76 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.275 -1.132 . . . . 0.0 109.381 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 22' ' ' GLY . 2.9 pm0 -55.82 -98.84 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.186 -0.946 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 21' ' ' GLU . . . 42.63 -120.56 2.53 Favored Glycine 0 N--CA 1.493 2.481 0 N-CA-C 109.712 -1.355 . . . . 0.0 109.712 179.759 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.476 ' HB2' ' HD3' ' A' ' 26' ' ' LYS . 21.9 t70 -141.96 -55.81 0.46 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.275 -1.132 . . . . 0.0 109.252 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.455 ' HB2' ' O ' ' A' ' 23' ' ' ASP . 14.9 ttpt 177.5 -48.86 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.426 -0.797 . . . . 0.0 109.48 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -134.67 26.48 3.69 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.206 -0.934 . . . . 0.0 110.15 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.498 ' HE2' ' HB2' ' A' ' 67' ' ' GLU . 4.9 ptmm? -119.04 129.79 55.3 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.099 -1.001 . . . . 0.0 109.182 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.468 HD23 ' HB2' ' A' ' 32' ' ' LEU . 1.7 tp -94.16 -161.77 0.88 Allowed 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.336 -0.853 . . . . 0.0 109.478 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -139.94 177.5 7.92 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.252 -0.905 . . . . 0.0 109.217 179.777 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.454 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 10.0 mmtp -78.69 -32.39 47.0 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.194 -0.941 . . . . 0.0 109.077 179.727 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.1 t -81.03 -35.2 32.17 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.291 -0.881 . . . . 0.0 109.538 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.467 ' O ' ' HB2' ' A' ' 35' ' ' LEU . 9.3 tt0 -81.75 -25.81 35.05 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 179.694 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.501 ' O ' HG13 ' A' ' 36' ' ' ILE . 22.1 tp -79.82 -40.68 28.03 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 108.633 -0.876 . . . . 0.0 108.633 179.256 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.784 ' HG2' HD13 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -64.93 -37.13 86.63 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 179.413 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.559 ' HG3' ' N ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -78.01 -31.25 50.46 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.498 -0.926 . . . . 0.0 108.498 179.667 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.854 HD11 HG11 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -55.16 -44.62 75.33 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 178.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.525 HG22 ' HB3' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -81.33 -61.55 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 O-C-N 121.468 -0.77 . . . . 0.0 109.813 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -54.91 -11.14 0.57 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.243 -0.91 . . . . 0.0 111.563 -178.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.49 ' HB2' ' O ' ' A' ' 34' ' ' GLU . 8.3 t-20 -104.08 -58.24 1.91 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.466 -1.396 . . . . 0.0 110.45 -179.368 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.474 ' O ' ' HB3' ' B' ' 3' ' ' LEU . 52.9 mt-10 -111.45 31.58 6.02 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.908 -1.12 . . . . 0.0 110.354 -179.14 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.702 ' HB2' HD23 ' B' ' 3' ' ' LEU . 0.2 OUTLIER -153.02 -86.86 0.06 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.98 -1.075 . . . . 0.0 108.851 179.88 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.566 ' O ' ' CG ' ' A' ' 42' ' ' HIS . 2.8 m 63.29 7.01 2.65 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.783 -1.198 . . . . 0.0 110.543 179.155 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.566 ' CG ' ' O ' ' A' ' 41' ' ' SER . 31.4 p80 38.88 27.89 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.25 -0.906 . . . . 0.0 110.087 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.497 ' N ' ' O ' ' A' ' 41' ' ' SER . 36.2 m-85 60.23 105.74 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.082 -1.011 . . . . 0.0 109.449 -179.694 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.601 ' HG ' HD11 ' A' ' 47' ' ' ILE . 0.2 OUTLIER -91.11 126.11 36.1 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.322 -0.861 . . . . 0.0 109.605 -179.812 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.478 ' HG3' ' N ' ' A' ' 46' ' ' GLU . 8.5 pt-20 -163.86 -37.89 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.17 -0.956 . . . . 0.0 109.633 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.478 ' N ' ' HG3' ' A' ' 45' ' ' GLU . 0.1 OUTLIER -144.7 -54.1 0.32 Allowed 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.257 -0.902 . . . . 0.0 108.723 179.897 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.601 HD11 ' HG ' ' A' ' 44' ' ' LEU . 3.6 mt 63.2 100.53 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.39 -0.819 . . . . 0.0 109.664 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -89.7 -41.16 12.08 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.124 -0.985 . . . . 0.0 109.416 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.711 ' OE1' HG23 ' A' ' 52' ' ' VAL . 4.3 mm-40 -80.49 75.54 7.35 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.11 -0.994 . . . . 0.0 109.667 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.45 ' O ' ' HB2' ' A' ' 54' ' ' ASP . 37.3 tt0 -62.18 -23.46 66.62 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.244 -0.91 . . . . 0.0 109.519 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.33 -27.35 42.09 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.243 -0.91 . . . . 0.0 109.742 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.711 HG23 ' OE1' ' A' ' 49' ' ' GLU . 96.3 t -74.91 -45.64 42.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.171 -0.956 . . . . 0.0 109.605 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.524 HG23 ' CB ' ' A' ' 83' ' ' ALA . 57.3 t -78.69 -29.68 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.223 -0.923 . . . . 0.0 109.187 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.517 ' O ' ' CG ' ' A' ' 58' ' ' GLU . 5.5 m-20 -79.31 -22.6 44.35 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.21 -0.931 . . . . 0.0 108.828 179.32 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -80.56 -49.85 10.78 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.248 -0.908 . . . . 0.0 109.331 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.598 HG23 ' N ' ' A' ' 57' ' ' MET . 35.3 m -71.69 -46.16 63.28 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.307 0 O-C-N 121.093 -1.004 . . . . 0.0 108.615 179.431 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.598 ' N ' HG23 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -63.15 -23.14 67.3 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 179.118 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.517 ' CG ' ' O ' ' A' ' 54' ' ' ASP . 5.8 mt-10 -71.8 -52.62 16.62 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.216 -0.927 . . . . 0.0 109.342 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 33.1 m -62.74 -27.58 69.37 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.101 -0.999 . . . . 0.0 108.457 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.784 HD13 ' HG2' ' A' ' 33' ' ' LYS . 8.6 mt -67.35 -53.04 33.03 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-O 121.532 0.682 . . . . 0.0 109.786 179.666 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.31 -7.64 59.14 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.556 -0.715 . . . . 0.0 110.039 -179.653 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.432 ' HB2' ' O ' ' A' ' 58' ' ' GLU . 9.5 tp10 -80.37 -47.11 14.93 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.14 -0.975 . . . . 0.0 109.792 -179.646 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -87.06 -70.25 0.63 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.384 -0.822 . . . . 0.0 109.896 -179.664 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.36 -43.23 3.21 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.298 -1.521 . . . . 0.0 109.298 -179.66 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -118.76 36.03 4.58 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.254 -1.145 . . . . 0.0 109.293 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -100.88 168.15 20.16 Favored Glycine 0 N--CA 1.488 2.156 0 N-CA-C 109.662 -1.375 . . . . 0.0 109.662 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.498 ' HB2' ' HE2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -109.34 129.76 55.52 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.303 -1.116 . . . . 0.0 109.391 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.438 ' SG ' ' HD3' ' A' ' 29' ' ' LYS . 3.6 m -93.89 168.34 11.04 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.073 -1.017 . . . . 0.0 109.016 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -111.19 -161.14 0.74 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.142 -0.974 . . . . 0.0 109.277 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.47 ' O ' ' HB2' ' A' ' 74' ' ' MET . 0.1 OUTLIER -88.68 -43.67 11.15 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.18 -0.95 . . . . 0.0 108.978 179.92 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.486 ' HG2' ' HB ' ' B' ' 82' ' ' THR . 1.1 mt-30 -71.64 -22.8 61.64 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.293 -0.88 . . . . 0.0 109.639 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.501 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 0.5 OUTLIER -78.29 -53.71 7.01 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.221 -0.924 . . . . 0.0 109.675 -179.817 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.694 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.3 OUTLIER -63.88 -21.21 66.35 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.246 -0.909 . . . . 0.0 108.881 179.868 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.564 ' HA ' ' CE ' ' A' ' 74' ' ' MET . 0.7 OUTLIER -80.17 -53.01 7.08 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.068 -1.02 . . . . 0.0 109.513 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.539 ' O ' ' HG3' ' A' ' 79' ' ' MET . . . -70.89 -15.43 62.62 Favored 'General case' 0 C--N 1.299 -1.619 0 C-N-CA 119.521 -0.871 . . . . 0.0 109.117 -179.676 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.66 ' O ' HG22 ' A' ' 80' ' ' VAL . 1.0 OUTLIER -80.9 -40.31 24.87 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.496 -0.752 . . . . 0.0 109.515 179.598 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.905 HG12 ' HE2' ' B' ' 7' ' ' MET . 87.3 t -68.23 -26.19 33.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.254 -0.904 . . . . 0.0 109.701 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.442 ' O ' ' OG1' ' A' ' 82' ' ' THR . 49.7 m -80.67 -41.76 23.19 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.107 -0.996 . . . . 0.0 111.115 -179.199 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.539 ' HG3' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -59.9 -40.4 88.67 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.818 -1.176 . . . . 0.0 110.39 -178.941 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.66 HG22 ' O ' ' A' ' 76' ' ' PHE . 2.5 m -75.62 -43.01 41.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.143 -0.973 . . . . 0.0 111.14 -178.53 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.553 ' OG1' ' HE2' ' B' ' 7' ' ' MET . 1.6 m -61.83 -9.68 7.28 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.695 -1.253 . . . . 0.0 110.223 -179.494 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.503 ' HB ' ' HG2' ' B' ' 71' ' ' GLN . 0.3 OUTLIER -121.69 -0.0 9.75 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.998 -1.064 . . . . 0.0 109.937 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.524 ' CB ' HG23 ' A' ' 53' ' ' VAL . . . -73.55 -1.48 18.8 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.146 -0.972 . . . . 0.0 110.024 -179.738 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.541 ' CB ' ' HB3' ' A' ' 87' ' ' PHE . 0.9 OUTLIER -88.09 164.14 15.88 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.007 -1.058 . . . . 0.0 109.688 -179.931 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 57.9 t60 -63.07 -85.66 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.192 -0.943 . . . . 0.0 109.608 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.575 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -85.41 -28.2 25.28 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.169 -0.957 . . . . 0.0 109.422 -179.929 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.672 ' CZ ' ' CZ ' ' A' ' 88' ' ' PHE . 21.6 p90 33.09 41.52 0.03 OUTLIER 'General case' 0 N--CA 1.499 2.024 0 CA-C-O 121.2 0.524 . . . . 0.0 110.572 179.773 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.672 ' CZ ' ' CZ ' ' A' ' 87' ' ' PHE . 14.4 m-85 -132.9 -39.07 0.97 Allowed 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.065 -1.022 . . . . 0.0 109.286 179.725 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.04 131.97 39.83 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.386 -0.821 . . . . 0.0 109.291 179.694 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 13.9 p-80 -123.19 4.63 9.21 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.322 -0.861 . . . . 0.0 109.578 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 118.028 -0.987 . . . . 0.0 109.419 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 1' ' ' SER . . . . . 0.499 ' OG ' ' HB3' ' B' ' 4' ' ' GLU . 37.1 p -123.47 -176.92 3.57 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.29 -0.881 . . . . 0.0 109.618 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.915 ' HB2' HG22 ' A' ' 13' ' ' VAL . 2.4 mm-40 -80.08 -44.26 20.35 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.318 -0.864 . . . . 0.0 109.866 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.761 HD11 HD21 ' A' ' 10' ' ' LEU . 6.3 tp -75.71 -47.41 26.23 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.359 -0.838 . . . . 0.0 110.595 -178.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.523 ' O ' ' CG2' ' B' ' 8' ' ' VAL . 4.5 tt0 -64.35 -49.35 72.02 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.927 -1.108 . . . . 0.0 110.457 -178.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.666 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 0.2 OUTLIER -69.69 -36.31 75.85 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.931 -1.105 . . . . 0.0 110.439 -179.192 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.681 ' HB1' ' HB3' ' A' ' 9' ' ' ALA . . . -80.4 -67.6 0.75 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.996 -1.065 . . . . 0.0 110.227 -179.518 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 7' ' ' MET . . . . . 0.905 ' HE2' HG12 ' A' ' 77' ' ' VAL . 4.3 tpt -45.88 -53.49 9.71 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.268 -0.895 . . . . 0.0 109.525 -179.617 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.523 ' CG2' ' O ' ' B' ' 4' ' ' GLU . 21.5 t -62.13 -38.21 80.35 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.578 0 C-N-CA 119.618 -0.833 . . . . 0.0 109.146 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.681 ' HB3' ' HB1' ' A' ' 6' ' ' ALA . . . -53.18 -37.56 62.03 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.069 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.748 HD21 HD11 ' A' ' 3' ' ' LEU . 0.5 OUTLIER -55.36 -46.77 76.45 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 178.922 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.671 HG23 ' HE1' ' A' ' 88' ' ' PHE . 1.7 mp -56.32 -32.97 36.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 179.118 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -60.06 -49.71 76.58 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.617 -0.677 . . . . 0.0 109.319 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.895 HG22 ' HB2' ' A' ' 2' ' ' GLU . 69.1 t -49.22 -49.22 17.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.264 -0.897 . . . . 0.0 109.089 179.726 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.549 ' CE1' ' CD2' ' B' ' 73' ' ' PHE . 0.6 OUTLIER -44.76 -59.73 2.37 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.386 -0.821 . . . . 0.0 109.628 -179.925 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 29.5 t-80 -54.61 -34.84 62.69 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.154 -0.966 . . . . 0.0 109.567 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.39 -36.88 83.69 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.234 -0.916 . . . . 0.0 109.761 -179.656 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.832 ' CD1' HD21 ' B' ' 35' ' ' LEU . 72.0 m-85 -102.3 15.6 28.68 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.127 -0.983 . . . . 0.0 109.606 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.58 -6.94 7.46 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.197 -0.94 . . . . 0.0 109.521 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.05 -21.24 68.35 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.461 -1.455 . . . . 0.0 109.461 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.53 -153.89 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.319 -1.106 . . . . 0.0 109.397 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' B' ' 22' ' ' GLY . 2.9 pm0 -55.59 -99.03 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.166 -0.959 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 22' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' B' ' 21' ' ' GLU . . . 42.73 -120.58 2.58 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.71 -1.356 . . . . 0.0 109.71 179.766 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.476 ' HB2' ' HD3' ' B' ' 26' ' ' LYS . 21.8 t70 -141.98 -55.7 0.45 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.282 -1.129 . . . . 0.0 109.215 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.451 ' HB2' ' O ' ' B' ' 23' ' ' ASP . 14.9 ttpt 177.4 -48.87 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.377 -0.827 . . . . 0.0 109.493 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -134.77 26.46 3.66 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.222 -0.924 . . . . 0.0 110.034 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.497 ' HE2' ' HB2' ' B' ' 67' ' ' GLU . 4.9 ptmm? -119.07 129.76 55.26 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.049 -1.032 . . . . 0.0 109.222 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.482 HD23 ' HB2' ' B' ' 32' ' ' LEU . 1.7 tp -94.17 -161.87 0.89 Allowed 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.322 -0.861 . . . . 0.0 109.403 -179.731 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.467 ' O ' ' CB ' ' B' ' 32' ' ' LEU . 0.2 OUTLIER -139.93 177.5 7.92 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.267 -0.896 . . . . 0.0 109.176 179.815 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.453 ' O ' ' HB2' ' B' ' 33' ' ' LYS . 10.0 mmtp -78.67 -32.36 47.09 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.193 -0.942 . . . . 0.0 109.137 179.675 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.1 t -81.02 -35.2 32.2 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.301 -0.875 . . . . 0.0 109.607 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.469 ' O ' ' HB2' ' B' ' 35' ' ' LEU . 9.4 tt0 -81.73 -25.78 35.11 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 179.71 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.505 ' O ' HG13 ' B' ' 36' ' ' ILE . 22.3 tp -79.83 -40.52 28.31 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 179.226 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.77 ' HG2' HD13 ' B' ' 60' ' ' LEU . 0.0 OUTLIER -64.94 -37.18 86.78 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 179.329 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.553 ' HG3' ' N ' ' B' ' 35' ' ' LEU . 0.0 OUTLIER -78.09 -31.17 49.98 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 179.697 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.86 HD11 HG11 ' B' ' 13' ' ' VAL . 0.2 OUTLIER -55.11 -44.6 75.11 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 178.947 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.53 HG22 ' HB3' ' B' ' 40' ' ' LEU . 0.2 OUTLIER -81.32 -61.57 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.465 0 O-C-N 121.501 -0.749 . . . . 0.0 109.832 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -54.76 -11.24 0.56 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.255 -0.903 . . . . 0.0 111.63 -178.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.501 ' HB2' ' O ' ' B' ' 34' ' ' GLU . 8.2 t-20 -104.08 -58.21 1.91 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.448 -1.408 . . . . 0.0 110.593 -179.406 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.493 ' O ' ' HB3' ' A' ' 3' ' ' LEU . 52.8 mt-10 -111.44 31.6 6.0 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.943 -1.098 . . . . 0.0 110.385 -179.255 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.72 ' HB2' HD23 ' A' ' 3' ' ' LEU . 0.2 OUTLIER -153.0 -86.86 0.06 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.099 -1.0 . . . . 0.0 108.836 179.835 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.582 ' O ' ' CG ' ' B' ' 42' ' ' HIS . 2.8 m 63.22 6.98 2.58 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.81 -1.181 . . . . 0.0 110.539 179.251 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 42' ' ' HIS . . . . . 0.582 ' CG ' ' O ' ' B' ' 41' ' ' SER . 31.5 p80 38.96 27.86 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.405 -0.809 . . . . 0.0 110.035 179.785 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 43' ' ' PHE . . . . . 0.502 ' N ' ' O ' ' B' ' 41' ' ' SER . 36.4 m-85 60.41 105.67 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.183 -0.948 . . . . 0.0 109.386 -179.774 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.618 ' HG ' HD11 ' B' ' 47' ' ' ILE . 0.2 OUTLIER -91.08 126.16 36.08 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.301 -0.874 . . . . 0.0 109.553 -179.85 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.473 ' HG3' ' N ' ' B' ' 46' ' ' GLU . 8.5 pt-20 -163.89 -37.99 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.138 -0.976 . . . . 0.0 109.595 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.473 ' N ' ' HG3' ' B' ' 45' ' ' GLU . 0.1 OUTLIER -144.7 -54.02 0.32 Allowed 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.227 -0.92 . . . . 0.0 108.699 179.9 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.618 HD11 ' HG ' ' B' ' 44' ' ' LEU . 3.6 mt 63.2 100.5 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.382 -0.824 . . . . 0.0 109.697 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 12.8 tttp -89.68 -41.12 12.11 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.2 -0.937 . . . . 0.0 109.503 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.7 ' OE1' HG23 ' B' ' 52' ' ' VAL . 4.3 mm-40 -80.48 75.57 7.33 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.22 -0.925 . . . . 0.0 109.615 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 50' ' ' GLN . . . . . 0.453 ' O ' ' HB2' ' B' ' 54' ' ' ASP . 37.3 tt0 -62.13 -23.53 66.62 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.241 -0.912 . . . . 0.0 109.503 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.41 -27.36 41.79 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.274 -0.891 . . . . 0.0 109.689 -179.673 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.7 HG23 ' OE1' ' B' ' 49' ' ' GLU . 96.8 t -74.91 -45.59 42.87 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.15 -0.969 . . . . 0.0 109.593 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.529 HG23 ' CB ' ' B' ' 83' ' ' ALA . 57.1 t -78.72 -29.64 14.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.249 -0.907 . . . . 0.0 109.173 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 54' ' ' ASP . . . . . 0.517 ' O ' ' CG ' ' B' ' 58' ' ' GLU . 5.4 m-20 -79.35 -22.6 44.22 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.221 -0.925 . . . . 0.0 108.863 179.293 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -80.47 -49.89 10.8 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.309 -0.87 . . . . 0.0 109.411 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.596 HG23 ' N ' ' B' ' 57' ' ' MET . 35.3 m -71.62 -46.28 63.3 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.281 0 O-C-N 121.063 -1.023 . . . . 0.0 108.58 179.449 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.596 ' N ' HG23 ' B' ' 56' ' ' VAL . 0.0 OUTLIER -63.0 -23.21 67.34 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 179.104 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 58' ' ' GLU . . . . . 0.517 ' CG ' ' O ' ' B' ' 54' ' ' ASP . 5.9 mt-10 -71.81 -52.57 16.87 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.26 -0.9 . . . . 0.0 109.42 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 33.6 m -62.86 -27.56 69.43 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.031 -1.043 . . . . 0.0 108.342 179.574 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.77 HD13 ' HG2' ' B' ' 33' ' ' LYS . 8.6 mt -67.4 -52.93 33.92 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-O 121.459 0.647 . . . . 0.0 109.697 179.699 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.43 -7.52 59.17 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.505 -0.747 . . . . 0.0 109.987 -179.57 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.436 ' HB2' ' O ' ' B' ' 58' ' ' GLU . 9.6 tp10 -80.59 -46.99 14.81 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.208 -0.933 . . . . 0.0 109.756 -179.557 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -87.12 -70.23 0.63 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.387 -0.821 . . . . 0.0 109.775 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.32 -43.28 3.22 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.272 -1.531 . . . . 0.0 109.272 -179.559 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -118.84 36.12 4.56 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.251 -1.146 . . . . 0.0 109.319 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -100.89 168.11 20.13 Favored Glycine 0 N--CA 1.488 2.131 0 N-CA-C 109.615 -1.394 . . . . 0.0 109.615 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.497 ' HB2' ' HE2' ' B' ' 26' ' ' LYS . 0.0 OUTLIER -109.32 129.79 55.51 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.271 -1.135 . . . . 0.0 109.386 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.442 ' SG ' ' HD3' ' B' ' 29' ' ' LYS . 3.6 m -93.89 168.36 11.03 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.119 -0.988 . . . . 0.0 109.029 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -111.26 -161.15 0.74 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.044 -1.035 . . . . 0.0 109.347 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.472 ' O ' ' HB2' ' B' ' 74' ' ' MET . 0.1 OUTLIER -88.7 -43.71 11.1 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.103 -0.998 . . . . 0.0 108.95 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.503 ' HG2' ' HB ' ' A' ' 82' ' ' THR . 1.1 mt-30 -71.57 -22.83 61.69 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.325 -0.859 . . . . 0.0 109.579 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.499 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 0.5 OUTLIER -78.35 -53.64 7.07 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.235 -0.916 . . . . 0.0 109.647 -179.67 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.698 ' O ' HG23 ' B' ' 77' ' ' VAL . 0.3 OUTLIER -63.84 -21.25 66.36 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.278 -0.888 . . . . 0.0 109.002 179.778 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.554 ' HA ' ' CE ' ' B' ' 74' ' ' MET . 0.7 OUTLIER -80.21 -52.84 7.27 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.089 -1.007 . . . . 0.0 109.522 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.533 ' O ' ' HG3' ' B' ' 79' ' ' MET . . . -70.98 -15.46 62.58 Favored 'General case' 0 C--N 1.299 -1.63 0 C-N-CA 119.51 -0.876 . . . . 0.0 109.08 -179.714 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.65 ' O ' HG22 ' B' ' 80' ' ' VAL . 1.0 OUTLIER -80.84 -40.35 25.04 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.456 -0.777 . . . . 0.0 109.42 179.573 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.898 HG12 ' HE2' ' A' ' 7' ' ' MET . 88.2 t -68.19 -26.36 33.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.255 -0.903 . . . . 0.0 109.701 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 78' ' ' SER . . . . . 0.45 ' O ' ' OG1' ' B' ' 82' ' ' THR . 50.6 m -80.6 -41.68 23.54 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.1 -1.0 . . . . 0.0 111.069 -179.135 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 79' ' ' MET . . . . . 0.533 ' HG3' ' O ' ' B' ' 75' ' ' ALA . 0.0 OUTLIER -59.94 -40.35 88.63 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.824 -1.173 . . . . 0.0 110.452 -178.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.65 HG22 ' O ' ' B' ' 76' ' ' PHE . 2.5 m -75.64 -43.06 41.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.134 -0.979 . . . . 0.0 111.119 -178.578 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.556 ' OG1' ' HE2' ' A' ' 7' ' ' MET . 1.6 m -61.74 -9.75 7.16 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.68 -1.263 . . . . 0.0 110.305 -179.503 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.486 ' HB ' ' HG2' ' A' ' 71' ' ' GLN . 0.4 OUTLIER -121.6 -0.03 9.8 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.954 -1.091 . . . . 0.0 110.005 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.529 ' CB ' HG23 ' B' ' 53' ' ' VAL . . . -73.56 -1.34 18.31 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.148 -0.97 . . . . 0.0 110.053 -179.741 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 84' ' ' CYS . . . . . 0.533 ' CB ' ' HB3' ' B' ' 87' ' ' PHE . 0.9 OUTLIER -88.25 164.18 15.74 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.994 -1.066 . . . . 0.0 109.643 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 57.9 t60 -63.15 -85.6 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.2 -0.938 . . . . 0.0 109.655 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 86' ' ' GLU . . . . . 0.577 ' O ' ' CD1' ' B' ' 87' ' ' PHE . 0.0 OUTLIER -85.4 -28.26 25.25 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.169 -0.957 . . . . 0.0 109.362 -179.918 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 87' ' ' PHE . . . . . 0.675 ' CZ ' ' CZ ' ' B' ' 88' ' ' PHE . 21.8 p90 33.08 41.48 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.967 0 CA-C-O 121.179 0.514 . . . . 0.0 110.604 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.678 ' HE1' HG23 ' A' ' 11' ' ' ILE . 14.3 m-85 -132.87 -39.0 0.97 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.075 -1.015 . . . . 0.0 109.284 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.15 131.93 39.69 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.474 -0.766 . . . . 0.0 109.208 179.717 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 14.0 p-80 -123.14 4.68 9.24 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.292 -0.88 . . . . 0.0 109.627 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 117.996 -1.002 . . . . 0.0 109.367 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 0' ' ' MET . . . . . 0.484 ' O ' ' CG ' ' A' ' 0' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.432 ' O ' ' HB2' ' A' ' 5' ' ' LYS . 20.3 p -89.11 -175.47 4.82 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.307 -0.871 . . . . 0.0 109.471 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.733 ' HB3' HG22 ' B' ' 13' ' ' VAL . 8.3 tt0 -80.21 -38.92 30.16 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.329 -0.857 . . . . 0.0 110.024 -179.578 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 1.074 ' CD1' HD23 ' B' ' 10' ' ' LEU . 16.4 tp -78.39 -52.31 8.76 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.154 -0.966 . . . . 0.0 110.057 -179.459 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.534 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 3.5 tm-20 -55.92 -34.38 65.54 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.325 -0.86 . . . . 0.0 110.03 -179.064 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.432 ' HB2' ' O ' ' A' ' 1' ' ' SER . 11.1 tptt -80.4 -51.46 8.82 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.922 -1.112 . . . . 0.0 110.254 -179.57 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.661 ' HB1' ' HB3' ' B' ' 9' ' ' ALA . . . -73.45 -62.22 1.56 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.126 -0.984 . . . . 0.0 110.251 -179.364 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.721 ' CE ' HG12 ' B' ' 77' ' ' VAL . 13.9 tpt -45.5 -47.53 14.13 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.325 -0.859 . . . . 0.0 109.718 -179.466 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.534 ' CG2' ' O ' ' A' ' 4' ' ' GLU . 40.0 t -71.9 -30.44 37.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.371 -0.83 . . . . 0.0 109.996 -179.588 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.648 ' HB3' ' HB1' ' B' ' 6' ' ' ALA . . . -60.23 -54.59 43.94 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.058 -1.026 . . . . 0.0 109.53 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 1.096 HD13 ' N ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -52.26 -41.09 62.54 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.179 -0.951 . . . . 0.0 108.8 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 1.096 ' N ' HD13 ' A' ' 10' ' ' LEU . 0.5 OUTLIER -63.17 -35.69 72.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 120.953 -1.092 . . . . 0.0 108.328 179.697 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 13' ' ' VAL . 9.2 t0 -56.66 -44.24 81.15 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 178.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.699 HG22 ' HB3' ' B' ' 2' ' ' GLU . 14.0 t -47.41 -43.0 8.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 178.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.614 ' CE2' ' HB3' ' A' ' 70' ' ' PHE . 77.6 t80 -48.01 -49.68 30.18 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.346 -0.847 . . . . 0.0 108.839 179.402 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.566 ' HB2' ' CE2' ' B' ' 88' ' ' PHE . 32.7 t-80 -60.4 -36.04 77.17 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.399 -0.813 . . . . 0.0 109.408 179.656 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -54.73 -52.79 61.39 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.278 -0.889 . . . . 0.0 109.392 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.592 ' CD2' HD21 ' A' ' 35' ' ' LEU . 83.5 m-85 -87.87 0.05 56.33 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.303 -0.873 . . . . 0.0 109.487 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.0 t -129.89 26.73 5.23 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.213 -0.93 . . . . 0.0 109.324 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 15' ' ' HIS . . . -130.0 -1.4 5.38 Favored Glycine 0 N--CA 1.487 2.061 0 N-CA-C 109.763 -1.335 . . . . 0.0 109.763 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 19' ' ' GLY . 1.1 mtp85 -43.76 -88.07 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.217 -1.167 . . . . 0.0 109.416 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -122.48 -80.95 0.63 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.278 -0.889 . . . . 0.0 109.218 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.524 ' O ' ' C ' ' A' ' 23' ' ' ASP . . . -80.26 -145.22 3.84 Favored Glycine 0 N--CA 1.488 2.147 0 N-CA-C 109.245 -1.542 . . . . 0.0 109.245 179.766 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.524 ' C ' ' O ' ' A' ' 22' ' ' GLY . 0.4 OUTLIER 26.82 71.9 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.462 0 O-C-N 122.2 -0.588 . . . . 0.0 110.989 179.275 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.592 ' HB3' ' CE1' ' A' ' 25' ' ' HIS . 7.5 ttpt -83.03 -13.33 56.08 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.249 -0.907 . . . . 0.0 109.547 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.592 ' CE1' ' HB3' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -146.21 28.57 1.1 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.239 -0.913 . . . . 0.0 109.28 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.428 ' O ' ' HB3' ' A' ' 23' ' ' ASP . 0.0 OUTLIER -146.87 128.33 14.98 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.139 -0.976 . . . . 0.0 109.735 -179.9 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.598 HD22 ' HB3' ' A' ' 31' ' ' GLU . 1.6 mt -111.24 -157.57 0.62 Allowed 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 179.708 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' A' ' 66' ' ' GLY . 14.2 mtpt -141.07 173.78 11.16 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.945 -1.097 . . . . 0.0 109.641 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.445 ' HB2' ' O ' ' A' ' 63' ' ' ASP . 4.7 mmtt -74.43 -31.81 62.43 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.325 -0.859 . . . . 0.0 109.657 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.425 ' HB2' ' O ' ' A' ' 64' ' ' GLY . 46.9 t -73.43 -26.43 60.95 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.138 -0.976 . . . . 0.0 109.512 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.598 ' HB3' HD22 ' A' ' 27' ' ' LEU . 1.2 tt0 -87.36 -19.9 27.49 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.056 -1.027 . . . . 0.0 108.478 179.476 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.527 HD21 ' CD2' ' A' ' 76' ' ' PHE . 10.4 tp -80.91 -38.03 28.64 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 178.785 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.592 ' HB2' HD22 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -63.6 -36.81 85.03 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.262 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.551 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 9.5 pt-20 -78.58 -38.33 40.4 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 179.587 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 1.007 ' CD1' HD22 ' B' ' 3' ' ' LEU . 0.2 OUTLIER -48.02 -49.91 29.47 Favored 'General case' 0 C--N 1.295 -1.793 0 CA-C-O 121.489 0.661 . . . . 0.0 109.255 179.548 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.854 HG21 HG21 ' A' ' 80' ' ' VAL . 0.1 OUTLIER -82.33 -52.41 13.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.536 -0.727 . . . . 0.0 110.909 -179.259 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -72.96 3.93 4.79 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.312 -0.868 . . . . 0.0 111.494 -178.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.551 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 55.4 t30 -119.95 -73.92 0.63 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.761 -1.212 . . . . 0.0 110.175 -179.638 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.514 ' HB3' ' HB3' ' B' ' 3' ' ' LEU . 4.2 mp0 -63.77 -41.99 97.88 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.063 -1.023 . . . . 0.0 109.778 -179.507 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.487 ' O ' ' C ' ' A' ' 41' ' ' SER . 2.2 tt -75.24 -89.1 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.189 -0.945 . . . . 0.0 109.313 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.487 ' C ' ' O ' ' A' ' 40' ' ' LEU . 5.6 t 31.56 95.23 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.342 -0.849 . . . . 0.0 111.047 179.316 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -172.69 -56.4 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.878 -1.139 . . . . 0.0 109.854 179.641 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.412 ' O ' ' HG3' ' A' ' 45' ' ' GLU . 6.3 m-85 -82.96 -2.2 54.51 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.199 -0.938 . . . . 0.0 109.708 -179.742 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.04 99.79 2.36 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.158 -0.964 . . . . 0.0 109.567 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 43' ' ' PHE . 1.4 mt-10 -127.94 -62.7 1.05 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.273 -0.892 . . . . 0.0 109.138 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.453 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 9.7 pt-20 -117.74 -27.27 6.29 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.423 -0.798 . . . . 0.0 109.192 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.453 ' HB ' ' O ' ' A' ' 46' ' ' GLU . 3.1 mt 65.86 113.88 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.366 -0.834 . . . . 0.0 109.679 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.37 -42.37 10.96 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.174 -0.954 . . . . 0.0 109.189 179.693 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.712 ' OE1' HG23 ' A' ' 52' ' ' VAL . 13.6 mm-40 -88.08 62.67 6.92 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.291 -0.88 . . . . 0.0 109.352 179.628 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.46 ' O ' ' HB2' ' A' ' 54' ' ' ASP . 34.6 tt0 -49.27 -22.9 1.17 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.179 -0.951 . . . . 0.0 109.534 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -78.79 -41.67 29.81 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.249 -0.907 . . . . 0.0 109.701 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.712 HG23 ' OE1' ' A' ' 49' ' ' GLU . 77.0 t -61.82 -55.07 26.68 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.167 -0.958 . . . . 0.0 109.667 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.445 ' O ' ' HB2' ' A' ' 57' ' ' MET . 81.1 t -66.39 -27.67 41.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.333 -0.854 . . . . 0.0 109.644 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.5 ' O ' ' HG3' ' A' ' 58' ' ' GLU . 50.8 m-20 -75.7 -22.99 56.12 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.11 -0.993 . . . . 0.0 109.078 179.777 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.34 -51.59 9.22 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.302 -0.874 . . . . 0.0 109.762 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.812 HG21 ' CG1' ' A' ' 80' ' ' VAL . 12.0 m -70.5 -39.77 76.62 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.354 0 O-C-N 121.164 -0.96 . . . . 0.0 109.213 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.445 ' HB2' ' O ' ' A' ' 53' ' ' VAL . 26.2 tpp -68.6 -26.99 65.65 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.451 -0.781 . . . . 0.0 109.122 179.537 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.5 ' HG3' ' O ' ' A' ' 54' ' ' ASP . 0.7 OUTLIER -73.11 -50.21 24.11 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.164 -0.96 . . . . 0.0 109.117 179.69 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 25.1 m -65.52 -24.11 67.04 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 179.289 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.592 HD22 ' HB2' ' A' ' 33' ' ' LYS . 10.5 mt -70.2 -52.77 20.78 Favored 'General case' 0 N--CA 1.487 1.388 0 CA-C-O 121.432 0.634 . . . . 0.0 109.7 179.761 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.77 -15.22 60.29 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.434 -0.791 . . . . 0.0 110.078 -179.525 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -79.05 -35.21 42.91 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.003 -1.061 . . . . 0.0 109.717 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.445 ' O ' ' HB2' ' A' ' 29' ' ' LYS . 6.1 m-20 -139.59 47.91 1.85 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.232 -0.917 . . . . 0.0 109.7 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.425 ' O ' ' HB2' ' A' ' 30' ' ' SER . . . -47.98 -25.88 4.06 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.388 -1.485 . . . . 0.0 109.388 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -101.67 44.46 1.01 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.389 -1.066 . . . . 0.0 109.431 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.462 ' O ' ' HG2' ' A' ' 28' ' ' LYS . . . -114.09 -168.56 16.39 Favored Glycine 0 N--CA 1.487 2.057 0 N-CA-C 109.65 -1.38 . . . . 0.0 109.65 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -122.39 134.68 54.61 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.235 -1.156 . . . . 0.0 109.544 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -122.41 161.84 22.74 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.275 -0.89 . . . . 0.0 109.431 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -96.79 165.21 12.23 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.232 -0.917 . . . . 0.0 109.151 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.614 ' HB3' ' CE2' ' A' ' 14' ' ' PHE . 35.5 p90 -63.97 -46.71 83.44 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.02 -1.05 . . . . 0.0 109.08 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.581 ' N ' ' CG ' ' A' ' 70' ' ' PHE . 1.0 OUTLIER -65.71 -25.72 67.44 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.243 -0.91 . . . . 0.0 109.027 179.745 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.525 ' N ' ' HG3' ' A' ' 71' ' ' GLN . 0.7 OUTLIER -70.77 -68.63 0.42 Allowed 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 179.253 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.639 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -48.49 -28.5 3.37 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 178.811 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.969 ' SD ' HD11 ' A' ' 10' ' ' LEU . 49.3 mmm -64.87 -57.64 8.29 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.479 -0.763 . . . . 0.0 109.696 -179.672 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.505 ' O ' ' HG3' ' A' ' 79' ' ' MET . . . -61.73 -23.14 65.95 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.251 -0.906 . . . . 0.0 109.051 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.59 ' CZ ' HG12 ' A' ' 56' ' ' VAL . 1.1 m-85 -75.34 -32.44 60.9 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 179.551 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.708 HG12 ' CE ' ' B' ' 7' ' ' MET . 65.4 t -69.52 -26.16 30.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.545 -0.722 . . . . 0.0 109.191 179.592 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.466 ' O ' HG23 ' A' ' 82' ' ' THR . 24.4 p -78.77 -55.2 5.35 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.314 -0.866 . . . . 0.0 110.312 -179.582 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.659 ' HB3' HG13 ' A' ' 52' ' ' VAL . 1.1 mtt -49.01 -49.05 42.86 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.18 -0.95 . . . . 0.0 109.481 -179.395 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.854 HG21 HG21 ' A' ' 36' ' ' ILE . 33.3 m -68.98 -48.04 72.29 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 O-C-N 121.45 -0.781 . . . . 0.0 110.279 -179.174 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.799 HG21 HD11 ' B' ' 11' ' ' ILE . 26.0 m -68.15 -6.11 21.53 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.106 -0.996 . . . . 0.0 109.834 -179.729 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.466 HG23 ' O ' ' A' ' 78' ' ' SER . 81.3 p -119.31 -9.34 9.94 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.117 -0.989 . . . . 0.0 109.622 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.438 ' CB ' HG23 ' A' ' 53' ' ' VAL . . . -70.69 -59.3 2.9 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.286 -0.884 . . . . 0.0 109.665 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 47' ' ' ILE . 0.1 OUTLIER -44.99 154.06 0.16 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.334 -0.854 . . . . 0.0 109.642 -179.808 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.59 149.31 48.3 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.236 -0.915 . . . . 0.0 109.441 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 65.16 -178.41 0.18 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.185 -0.947 . . . . 0.0 109.238 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.688 ' CD1' ' CZ ' ' A' ' 88' ' ' PHE . 0.1 OUTLIER -154.24 -37.84 0.09 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.296 -0.877 . . . . 0.0 109.779 179.686 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.688 ' CZ ' ' CD1' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -130.21 47.75 2.48 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.826 -1.171 . . . . 0.0 109.796 179.107 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.558 ' C ' ' CD2' ' A' ' 90' ' ' HIS . 2.2 tt0 -91.82 -58.19 2.49 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.998 -1.063 . . . . 0.0 109.44 179.569 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.558 ' CD2' ' C ' ' A' ' 89' ' ' GLU . 2.3 p80 40.43 84.42 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.666 -0.647 . . . . 0.0 109.657 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.517 0 CA-C-O 117.917 -1.039 . . . . 0.0 109.272 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 0' ' ' MET . . . . . 0.485 ' O ' ' CG ' ' B' ' 0' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.473 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 1' ' ' SER . . . . . 0.424 ' O ' ' HB2' ' B' ' 5' ' ' LYS . 20.3 p -89.17 -175.55 4.83 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.305 -0.872 . . . . 0.0 109.463 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.699 ' HB3' HG22 ' A' ' 13' ' ' VAL . 8.3 tt0 -80.18 -38.89 30.36 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.299 -0.875 . . . . 0.0 110.035 -179.582 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 1.047 ' CD1' HD23 ' A' ' 10' ' ' LEU . 16.4 tp -78.41 -52.4 8.62 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.159 -0.963 . . . . 0.0 109.986 -179.475 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.532 ' O ' ' CG2' ' B' ' 8' ' ' VAL . 3.6 tm-20 -55.84 -34.29 65.27 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 121.175 -0.953 . . . . 0.0 110.116 -179.059 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.424 ' HB2' ' O ' ' B' ' 1' ' ' SER . 11.1 tptt -80.6 -51.36 8.83 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.936 -1.103 . . . . 0.0 110.205 -179.519 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.648 ' HB1' ' HB3' ' A' ' 9' ' ' ALA . . . -73.46 -62.25 1.55 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.99 -1.069 . . . . 0.0 110.221 -179.438 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 7' ' ' MET . . . . . 0.708 ' CE ' HG12 ' A' ' 77' ' ' VAL . 13.9 tpt -45.5 -47.41 14.16 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.458 -0.776 . . . . 0.0 109.772 -179.435 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.532 ' CG2' ' O ' ' B' ' 4' ' ' GLU . 40.2 t -71.95 -30.51 37.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.412 -0.805 . . . . 0.0 109.982 -179.549 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.661 ' HB3' ' HB1' ' A' ' 6' ' ' ALA . . . -60.26 -54.55 44.4 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.067 -1.021 . . . . 0.0 109.549 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 1.076 HD13 ' N ' ' B' ' 11' ' ' ILE . 0.0 OUTLIER -52.2 -41.29 62.56 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.244 -0.91 . . . . 0.0 108.688 179.946 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 1.076 ' N ' HD13 ' B' ' 10' ' ' LEU . 0.5 OUTLIER -63.05 -35.65 72.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.061 -1.024 . . . . 0.0 108.4 179.731 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -56.71 -44.31 81.45 Favored 'General case' 0 C--N 1.306 -1.322 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 178.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.733 HG22 ' HB3' ' A' ' 2' ' ' GLU . 14.0 t -47.35 -43.07 8.02 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 178.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.616 ' CE2' ' HB3' ' B' ' 70' ' ' PHE . 77.6 t80 -47.94 -49.7 29.4 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.389 -0.819 . . . . 0.0 108.826 179.405 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 15' ' ' HIS . . . . . 0.517 ' HB2' ' CE2' ' A' ' 88' ' ' PHE . 32.7 t-80 -60.46 -36.04 77.29 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.318 -0.864 . . . . 0.0 109.367 179.737 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -54.66 -52.77 61.29 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.167 -0.958 . . . . 0.0 109.402 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.591 ' CD2' HD21 ' B' ' 35' ' ' LEU . 83.6 m-85 -87.96 0.01 56.44 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.373 -0.829 . . . . 0.0 109.464 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 3.0 t -129.85 26.79 5.24 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.249 -0.907 . . . . 0.0 109.346 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' B' ' 15' ' ' HIS . . . -130.07 -1.39 5.36 Favored Glycine 0 N--CA 1.486 2.023 0 N-CA-C 109.78 -1.328 . . . . 0.0 109.78 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' B' ' 19' ' ' GLY . 1.1 mtp85 -43.74 -88.03 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.154 -1.203 . . . . 0.0 109.383 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -122.59 -80.88 0.63 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.317 -0.864 . . . . 0.0 109.185 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' GLY . . . . . 0.523 ' O ' ' C ' ' B' ' 23' ' ' ASP . . . -80.25 -145.3 3.87 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.265 -1.534 . . . . 0.0 109.265 179.74 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.523 ' C ' ' O ' ' B' ' 22' ' ' GLY . 0.4 OUTLIER 26.89 72.0 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.495 0 O-C-N 122.113 -0.64 . . . . 0.0 110.883 179.236 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.594 ' HB3' ' CE1' ' B' ' 25' ' ' HIS . 7.5 ttpt -83.1 -13.3 55.95 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.275 -0.89 . . . . 0.0 109.539 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 25' ' ' HIS . . . . . 0.594 ' CE1' ' HB3' ' B' ' 24' ' ' LYS . 0.0 OUTLIER -146.26 28.63 1.09 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.146 -0.971 . . . . 0.0 109.233 -179.869 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.433 ' O ' ' HB3' ' B' ' 23' ' ' ASP . 0.0 OUTLIER -146.99 128.31 14.85 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.276 -0.89 . . . . 0.0 109.663 -179.88 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.598 HD22 ' HB3' ' B' ' 31' ' ' GLU . 1.6 mt -111.23 -157.54 0.62 Allowed 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.339 -0.85 . . . . 0.0 108.913 179.743 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.456 ' HG2' ' O ' ' B' ' 66' ' ' GLY . 14.3 mtpt -141.15 173.72 11.22 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.988 -1.07 . . . . 0.0 109.588 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.442 ' HB2' ' O ' ' B' ' 63' ' ' ASP . 4.7 mmtt -74.34 -31.77 62.55 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.319 -0.863 . . . . 0.0 109.71 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.426 ' HB2' ' O ' ' B' ' 64' ' ' GLY . 47.1 t -73.5 -26.44 60.89 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.15 -0.969 . . . . 0.0 109.509 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.598 ' HB3' HD22 ' B' ' 27' ' ' LEU . 1.2 tt0 -87.3 -19.9 27.59 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.048 -1.032 . . . . 0.0 108.492 179.358 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.532 HD21 ' CD2' ' B' ' 76' ' ' PHE . 10.4 tp -80.96 -37.95 28.55 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 178.816 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.6 ' HB2' HD22 ' B' ' 60' ' ' LEU . 0.2 OUTLIER -63.67 -36.77 84.95 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 179.179 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.547 ' O ' ' CB ' ' B' ' 38' ' ' ASN . 9.5 pt-20 -78.59 -38.34 40.26 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 179.567 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 1.044 ' CD1' HD22 ' A' ' 3' ' ' LEU . 0.2 OUTLIER -48.13 -49.82 30.83 Favored 'General case' 0 C--N 1.293 -1.854 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.591 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.86 HG21 HG21 ' B' ' 80' ' ' VAL . 0.1 OUTLIER -82.36 -52.27 13.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.53 -0.731 . . . . 0.0 110.975 -179.35 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -73.03 3.83 4.98 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.252 -0.905 . . . . 0.0 111.53 -178.019 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.547 ' CB ' ' O ' ' B' ' 34' ' ' GLU . 55.2 t30 -119.89 -73.9 0.63 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.731 -1.231 . . . . 0.0 110.198 -179.589 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.543 ' HB3' ' HB3' ' A' ' 3' ' ' LEU . 4.2 mp0 -63.67 -42.13 98.09 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.083 -1.011 . . . . 0.0 109.81 -179.575 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.499 ' O ' ' C ' ' B' ' 41' ' ' SER . 2.3 tt -75.19 -89.04 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.105 -0.997 . . . . 0.0 109.357 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.499 ' C ' ' O ' ' B' ' 40' ' ' LEU . 5.6 t 31.49 95.24 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.34 -0.85 . . . . 0.0 111.015 179.24 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -172.64 -56.45 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.936 -1.103 . . . . 0.0 109.898 179.613 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 43' ' ' PHE . . . . . 0.415 ' O ' ' HG3' ' B' ' 45' ' ' GLU . 6.2 m-85 -82.93 -2.17 54.27 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.204 -0.935 . . . . 0.0 109.745 -179.762 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.11 99.78 2.39 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.115 -0.99 . . . . 0.0 109.553 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' B' ' 43' ' ' PHE . 1.4 mt-10 -127.92 -62.64 1.05 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.363 -0.836 . . . . 0.0 109.221 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.45 ' O ' ' HB ' ' B' ' 47' ' ' ILE . 9.6 pt-20 -117.76 -27.26 6.29 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.504 -0.747 . . . . 0.0 109.279 179.749 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.462 ' HA ' ' HA ' ' B' ' 84' ' ' CYS . 3.1 mt 65.86 113.82 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.331 -0.856 . . . . 0.0 109.696 179.803 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.27 -42.47 10.97 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.138 -0.976 . . . . 0.0 109.179 179.709 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.724 ' OE1' HG23 ' B' ' 52' ' ' VAL . 13.5 mm-40 -88.07 62.65 6.91 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.28 -0.887 . . . . 0.0 109.251 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 50' ' ' GLN . . . . . 0.457 ' O ' ' HB2' ' B' ' 54' ' ' ASP . 34.6 tt0 -49.18 -22.95 1.11 Allowed 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.285 -0.884 . . . . 0.0 109.575 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -78.75 -41.73 29.95 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.288 -0.882 . . . . 0.0 109.679 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.724 HG23 ' OE1' ' B' ' 49' ' ' GLU . 78.0 t -61.89 -54.98 27.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.133 -0.98 . . . . 0.0 109.66 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.462 ' O ' ' HB2' ' B' ' 57' ' ' MET . 80.9 t -66.55 -27.51 40.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.21 -0.931 . . . . 0.0 109.683 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 54' ' ' ASP . . . . . 0.49 ' O ' ' HG3' ' B' ' 58' ' ' GLU . 51.0 m-20 -75.76 -23.05 55.94 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.107 -0.996 . . . . 0.0 109.073 179.695 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.23 -51.73 9.09 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.209 -0.932 . . . . 0.0 109.733 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.824 HG21 ' CG1' ' B' ' 80' ' ' VAL . 12.0 m -70.39 -39.95 77.07 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 O-C-N 121.014 -1.054 . . . . 0.0 109.167 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.462 ' HB2' ' O ' ' B' ' 53' ' ' VAL . 26.2 tpp -68.5 -27.11 65.84 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.454 -0.779 . . . . 0.0 109.049 179.589 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 58' ' ' GLU . . . . . 0.49 ' HG3' ' O ' ' B' ' 54' ' ' ASP . 0.7 OUTLIER -73.03 -50.29 23.91 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.155 -0.966 . . . . 0.0 109.135 179.704 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 24.8 m -65.4 -24.1 67.12 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.082 -1.012 . . . . 0.0 108.343 179.212 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.6 HD22 ' HB2' ' B' ' 33' ' ' LYS . 10.5 mt -70.27 -52.75 20.6 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.672 -0.643 . . . . 0.0 109.675 179.803 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.81 -15.2 60.28 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.433 -0.792 . . . . 0.0 110.014 -179.478 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -79.03 -35.28 42.94 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.053 -1.029 . . . . 0.0 109.676 -179.664 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.442 ' O ' ' HB2' ' B' ' 29' ' ' LYS . 6.1 m-20 -139.54 48.04 1.85 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.245 -0.909 . . . . 0.0 109.666 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 64' ' ' GLY . . . . . 0.426 ' O ' ' HB2' ' B' ' 30' ' ' SER . . . -48.04 -25.94 4.18 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.399 -1.48 . . . . 0.0 109.399 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -101.6 44.38 1.02 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.348 -1.089 . . . . 0.0 109.426 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.456 ' O ' ' HG2' ' B' ' 28' ' ' LYS . . . -114.0 -168.6 16.47 Favored Glycine 0 N--CA 1.487 2.055 0 N-CA-C 109.691 -1.364 . . . . 0.0 109.691 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -122.38 134.65 54.62 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.362 -1.081 . . . . 0.0 109.508 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -122.37 161.79 22.78 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.31 -0.868 . . . . 0.0 109.463 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -96.71 165.17 12.26 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.231 -0.918 . . . . 0.0 109.07 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.616 ' HB3' ' CE2' ' B' ' 14' ' ' PHE . 35.3 p90 -64.01 -46.58 83.87 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.036 -1.04 . . . . 0.0 109.133 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.594 ' N ' ' CG ' ' B' ' 70' ' ' PHE . 1.0 OUTLIER -65.74 -25.74 67.42 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.254 -0.904 . . . . 0.0 109.07 179.674 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.52 ' N ' ' HG3' ' B' ' 71' ' ' GLN . 0.7 OUTLIER -70.66 -68.65 0.42 Allowed 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 179.231 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.644 ' O ' HG23 ' B' ' 77' ' ' VAL . 0.0 OUTLIER -48.44 -28.48 3.31 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 178.832 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.98 ' SD ' HD11 ' B' ' 10' ' ' LEU . 49.6 mmm -64.86 -57.73 8.06 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.488 -0.758 . . . . 0.0 109.714 -179.663 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.507 ' O ' ' HG3' ' B' ' 79' ' ' MET . . . -61.77 -22.98 65.89 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.139 -0.976 . . . . 0.0 109.055 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.588 ' CZ ' HG12 ' B' ' 56' ' ' VAL . 1.1 m-85 -75.4 -32.45 60.75 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 179.505 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.721 HG12 ' CE ' ' A' ' 7' ' ' MET . 65.3 t -69.55 -26.01 30.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.51 -0.744 . . . . 0.0 109.195 179.612 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 78' ' ' SER . . . . . 0.451 ' O ' HG23 ' B' ' 82' ' ' THR . 24.4 p -78.87 -55.19 5.34 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.397 -0.814 . . . . 0.0 110.297 -179.602 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 79' ' ' MET . . . . . 0.661 ' HB3' HG13 ' B' ' 52' ' ' VAL . 1.1 mtt -49.02 -48.95 43.29 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.144 -0.973 . . . . 0.0 109.471 -179.334 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.86 HG21 HG21 ' B' ' 36' ' ' ILE . 33.3 m -69.03 -47.99 72.28 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.417 0 O-C-N 121.379 -0.825 . . . . 0.0 110.342 -179.139 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.831 HG21 HD11 ' A' ' 11' ' ' ILE . 25.9 m -68.12 -6.12 21.38 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.052 -1.03 . . . . 0.0 109.87 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.451 HG23 ' O ' ' B' ' 78' ' ' SER . 81.5 p -119.31 -9.28 9.95 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.115 -0.991 . . . . 0.0 109.654 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.437 ' CB ' HG23 ' B' ' 53' ' ' VAL . . . -70.74 -59.3 2.89 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.147 -0.971 . . . . 0.0 109.665 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 84' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' B' ' 47' ' ' ILE . 0.1 OUTLIER -44.83 154.12 0.15 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.347 -0.845 . . . . 0.0 109.653 -179.875 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.73 149.34 48.11 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.228 -0.92 . . . . 0.0 109.334 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 65.13 -178.5 0.18 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.299 -0.876 . . . . 0.0 109.287 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 87' ' ' PHE . . . . . 0.688 ' CD1' ' CZ ' ' B' ' 88' ' ' PHE . 0.1 OUTLIER -154.21 -37.79 0.09 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.342 -0.849 . . . . 0.0 109.776 179.748 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.688 ' CZ ' ' CD1' ' B' ' 87' ' ' PHE . 0.0 OUTLIER -130.26 47.75 2.48 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.916 -1.115 . . . . 0.0 109.744 179.169 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.553 ' C ' ' CD2' ' B' ' 90' ' ' HIS . 2.2 tt0 -91.88 -58.24 2.47 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.944 -1.098 . . . . 0.0 109.429 179.609 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 90' ' ' HIS . . . . . 0.553 ' CD2' ' C ' ' B' ' 89' ' ' GLU . 2.3 p80 40.48 84.36 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.602 -0.686 . . . . 0.0 109.685 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 117.876 -1.059 . . . . 0.0 109.328 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 4.1 ptm . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 90.9 p -104.0 -174.12 2.47 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.187 -0.946 . . . . 0.0 109.513 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.915 ' HB3' HG22 ' B' ' 13' ' ' VAL . 0.6 OUTLIER -72.72 -47.47 46.77 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.292 -0.88 . . . . 0.0 109.596 -179.844 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.881 HD23 ' HB3' ' B' ' 39' ' ' GLU . 16.6 tp -71.77 -47.97 49.92 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.276 -0.89 . . . . 0.0 109.672 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.563 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 56.3 tt0 -54.13 -49.28 69.56 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.258 -0.901 . . . . 0.0 110.251 -179.18 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.69 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 21.1 mtpp -64.79 -38.85 92.36 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 120.578 -1.326 . . . . 0.0 110.709 -178.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.681 ' HB2' ' CB ' ' B' ' 9' ' ' ALA . . . -80.11 -71.13 0.47 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.937 -1.102 . . . . 0.0 110.237 -179.409 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.953 ' SD ' HG12 ' B' ' 77' ' ' VAL . 8.2 tpt -44.56 -47.43 10.24 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.406 -0.809 . . . . 0.0 110.22 -179.435 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.563 ' CG2' ' O ' ' A' ' 4' ' ' GLU . 11.1 t -70.03 -32.98 53.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.194 -0.941 . . . . 0.0 109.709 -179.45 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.691 ' CB ' ' HB2' ' B' ' 6' ' ' ALA . . . -62.81 -31.42 72.41 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.119 -0.988 . . . . 0.0 109.115 179.505 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.478 ' N ' ' HB1' ' B' ' 6' ' ' ALA . 0.4 OUTLIER -65.15 -48.57 73.07 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.262 -0.898 . . . . 0.0 108.791 179.679 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.67 HD11 ' CG2' ' B' ' 81' ' ' THR . 1.5 mp -53.83 -31.64 20.77 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.416 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -59.71 -51.62 69.0 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.324 -0.86 . . . . 0.0 109.008 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.916 HG22 ' HB3' ' B' ' 2' ' ' GLU . 48.3 t -49.04 -33.93 6.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.369 -0.832 . . . . 0.0 109.343 179.655 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.559 ' CZ ' HD23 ' A' ' 27' ' ' LEU . 9.9 t80 -58.85 -47.33 85.26 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.378 -0.826 . . . . 0.0 109.892 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 23.9 t-80 -79.93 -2.32 43.29 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.23 -0.919 . . . . 0.0 109.782 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.415 ' HB2' ' HA ' ' A' ' 13' ' ' VAL . 1.8 mm-40 -87.62 -20.96 25.64 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.166 -0.959 . . . . 0.0 109.663 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -117.65 -32.32 4.9 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.284 -0.885 . . . . 0.0 109.799 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.19 -40.85 74.37 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.239 -0.913 . . . . 0.0 109.616 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.425 ' O ' ' N ' ' A' ' 21' ' ' GLU . . . -50.62 -40.41 40.15 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.756 -1.338 . . . . 0.0 109.756 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.528 ' O ' ' CG ' ' A' ' 21' ' ' GLU . 43.7 mtp85 -55.04 92.72 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.044 -1.268 . . . . 0.0 109.631 -179.713 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.528 ' CG ' ' O ' ' A' ' 20' ' ' ARG . 10.8 pt-20 41.47 -157.07 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.469 -0.769 . . . . 0.0 109.829 179.735 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.45 ' N ' ' HG3' ' A' ' 21' ' ' GLU . . . 93.05 -156.43 22.87 Favored Glycine 0 N--CA 1.489 2.2 0 N-CA-C 109.343 -1.503 . . . . 0.0 109.343 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.509 ' HB3' ' HG2' ' A' ' 26' ' ' LYS . 5.7 t70 -96.57 -88.62 0.28 Allowed 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.234 -1.156 . . . . 0.0 109.445 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.471 ' N ' ' OD1' ' A' ' 23' ' ' ASP . 3.6 tttt 178.77 135.9 0.09 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.159 -0.963 . . . . 0.0 110.067 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 47.29 42.57 13.88 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.441 -0.787 . . . . 0.0 109.956 179.356 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.509 ' HG2' ' HB3' ' A' ' 23' ' ' ASP . 0.0 OUTLIER -150.49 131.63 14.44 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.07 -1.019 . . . . 0.0 109.686 179.786 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.559 HD23 ' CZ ' ' A' ' 14' ' ' PHE . 0.5 OUTLIER -98.88 -160.74 0.82 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.263 -0.898 . . . . 0.0 109.346 179.809 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.407 ' O ' ' CB ' ' A' ' 32' ' ' LEU . 2.2 mtmt -149.16 -175.63 5.05 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.117 -0.989 . . . . 0.0 109.568 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.454 ' HB2' ' C ' ' A' ' 64' ' ' GLY . 30.6 mmtt -92.09 -22.1 20.09 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.271 -0.893 . . . . 0.0 109.457 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.8 t -80.25 -44.24 20.01 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.105 -0.997 . . . . 0.0 109.113 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.486 ' O ' ' HG3' ' A' ' 34' ' ' GLU . 1.1 tp10 -77.81 -23.94 48.92 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 179.152 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.514 ' O ' HG13 ' A' ' 36' ' ' ILE . 10.7 tp -75.98 -40.59 53.52 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 178.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.56 ' HB2' HD22 ' A' ' 60' ' ' LEU . 8.7 tmtt? -58.96 -45.58 90.18 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 179.041 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.549 ' HG3' ' N ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -69.91 -32.77 71.25 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 179.359 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.797 ' CD1' HD22 ' B' ' 3' ' ' LEU . 0.2 OUTLIER -57.0 -42.23 79.92 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-O 121.343 0.592 . . . . 0.0 109.422 179.817 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.832 HG23 HD23 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -74.28 -55.23 12.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.29 -0.882 . . . . 0.0 109.28 179.928 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.487 ' HA ' ' HB2' ' A' ' 41' ' ' SER . 53.6 t-20 -69.95 -1.45 9.7 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.21 -0.931 . . . . 0.0 110.175 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.536 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 9.9 t30 -87.87 -37.89 16.11 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.077 -1.014 . . . . 0.0 109.385 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.857 ' HB3' HD23 ' B' ' 3' ' ' LEU . 6.9 tp10 -130.57 -37.84 1.36 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.377 -0.827 . . . . 0.0 109.26 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.879 HD21 HG13 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -71.36 -2.97 18.22 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.216 -0.928 . . . . 0.0 109.934 -179.429 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.487 ' HB2' ' HA ' ' A' ' 37' ' ' ASN . 32.1 t -80.28 -13.56 59.1 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.163 -0.96 . . . . 0.0 109.394 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -61.92 -25.35 67.53 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.299 -0.876 . . . . 0.0 109.696 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.443 ' HB2' ' SG ' ' A' ' 84' ' ' CYS . 1.3 m-85 -113.41 58.12 0.67 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.229 -0.92 . . . . 0.0 109.587 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.09 63.55 1.24 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.206 -0.934 . . . . 0.0 109.593 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -124.92 -35.36 2.69 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.275 -0.891 . . . . 0.0 109.386 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.433 ' O ' ' O ' ' A' ' 47' ' ' ILE . 3.5 mm-40 -122.65 -40.78 2.42 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.436 -0.79 . . . . 0.0 109.277 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.433 ' O ' ' O ' ' A' ' 46' ' ' GLU . 24.2 mt 61.54 121.83 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.367 -0.833 . . . . 0.0 109.506 179.778 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.456 ' HG3' ' HA ' ' A' ' 85' ' ' HIS . 2.9 tttt -96.96 -56.24 2.62 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.205 -0.935 . . . . 0.0 109.467 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.469 ' HB3' ' CG2' ' A' ' 52' ' ' VAL . 1.1 mm-40 -87.85 80.55 7.8 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.225 -0.922 . . . . 0.0 109.404 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.509 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 15.7 tm0? -59.07 -22.68 61.15 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.212 -0.93 . . . . 0.0 109.642 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -79.57 -38.03 35.02 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.306 -0.871 . . . . 0.0 109.44 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.469 ' CG2' ' HB3' ' A' ' 49' ' ' GLU . 95.7 t -64.34 -57.78 10.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.206 -0.934 . . . . 0.0 109.511 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.477 HG22 HG12 ' A' ' 80' ' ' VAL . 92.7 t -65.51 -29.47 47.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.227 -0.921 . . . . 0.0 109.485 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.509 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 50.1 t0 -74.14 -22.92 59.25 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.184 -0.948 . . . . 0.0 108.941 179.745 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.25 -52.83 7.26 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.392 -0.818 . . . . 0.0 109.677 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.591 HG23 ' N ' ' A' ' 57' ' ' MET . 31.5 m -65.04 -48.17 85.0 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 O-C-N 121.1 -1.0 . . . . 0.0 109.313 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.591 ' N ' HG23 ' A' ' 56' ' ' VAL . 55.0 tpp -62.39 -22.73 66.37 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.224 -0.923 . . . . 0.0 108.848 179.279 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.452 ' HG3' ' O ' ' A' ' 54' ' ' ASP . 3.5 mt-10 -72.33 -55.5 7.02 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.462 -0.774 . . . . 0.0 109.585 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.51 -29.41 69.98 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.045 -1.035 . . . . 0.0 108.326 179.421 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.56 HD22 ' HB2' ' A' ' 33' ' ' LYS . 9.8 mt -63.58 -53.52 50.49 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 179.433 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.97 -5.72 56.21 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.547 -0.721 . . . . 0.0 109.39 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -72.24 -28.59 63.25 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.327 -0.858 . . . . 0.0 109.324 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -145.01 -58.69 0.35 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.312 -0.868 . . . . 0.0 109.825 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.454 ' C ' ' HB2' ' A' ' 29' ' ' LYS . . . 79.95 -6.96 57.69 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.731 -1.348 . . . . 0.0 109.731 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -130.39 23.58 5.15 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.252 -1.146 . . . . 0.0 109.389 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.425 ' H ' ' CG ' ' A' ' 29' ' ' LYS . . . -89.98 178.95 43.88 Favored Glycine 0 N--CA 1.49 2.235 0 N-CA-C 109.594 -1.402 . . . . 0.0 109.594 -179.788 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -106.73 140.52 39.44 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.261 -1.141 . . . . 0.0 109.466 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.3 m -115.91 157.67 24.16 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.283 -0.885 . . . . 0.0 109.509 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -101.3 -163.07 0.98 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.203 -0.936 . . . . 0.0 109.298 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.61 ' CD2' ' HG3' ' A' ' 71' ' ' GLN . 1.3 p90 -88.04 -47.53 8.45 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.218 -0.926 . . . . 0.0 109.239 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.61 ' HG3' ' CD2' ' A' ' 70' ' ' PHE . 7.5 mt-30 -70.99 -16.36 62.63 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.183 -0.948 . . . . 0.0 109.093 179.626 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.65 -59.41 2.69 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.343 -0.848 . . . . 0.0 109.054 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.58 ' O ' ' CD1' ' A' ' 73' ' ' PHE . 1.7 t80 -63.27 -19.55 64.67 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.258 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.566 ' HE2' ' HB3' ' B' ' 78' ' ' SER . 7.7 mmm -79.98 -52.44 7.84 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.285 -0.884 . . . . 0.0 109.021 179.711 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.499 ' O ' ' HG3' ' A' ' 79' ' ' MET . . . -68.65 -16.04 63.71 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.209 -0.932 . . . . 0.0 108.856 179.585 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.658 ' O ' HG22 ' A' ' 80' ' ' VAL . 1.7 m-85 -78.2 -37.69 45.02 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.475 -0.766 . . . . 0.0 109.304 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.957 HG12 ' SD ' ' B' ' 7' ' ' MET . 78.2 t -75.33 -30.34 22.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.431 -0.793 . . . . 0.0 109.755 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.57 ' HB3' ' HE2' ' B' ' 74' ' ' MET . 37.9 m -77.13 -38.22 52.48 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.15 -0.969 . . . . 0.0 110.253 -179.455 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.499 ' HG3' ' O ' ' A' ' 75' ' ' ALA . 1.2 mmm -60.67 -50.44 73.49 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.055 -1.028 . . . . 0.0 110.395 -179.468 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.781 HG21 HG23 ' A' ' 36' ' ' ILE . 1.7 m -68.25 -36.2 74.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.122 -0.986 . . . . 0.0 110.487 -179.005 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.706 ' CG2' HD11 ' B' ' 11' ' ' ILE . 10.4 m -67.75 -7.79 30.25 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.989 -1.069 . . . . 0.0 110.134 -179.318 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.499 ' HB ' ' HG2' ' B' ' 71' ' ' GLN . 27.0 p -120.78 -10.54 9.14 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.914 -1.116 . . . . 0.0 109.614 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -90.93 47.45 1.41 Allowed 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.158 -0.964 . . . . 0.0 109.396 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.443 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 5.1 m -132.29 138.55 47.88 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.368 -0.833 . . . . 0.0 109.624 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.456 ' HA ' ' HG3' ' A' ' 48' ' ' LYS . 0.2 OUTLIER -64.56 -64.08 0.97 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.297 -0.877 . . . . 0.0 109.413 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -84.34 103.68 13.72 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.27 -0.894 . . . . 0.0 109.621 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.667 ' CE2' ' CD1' ' A' ' 88' ' ' PHE . 0.1 OUTLIER -158.66 -167.04 2.03 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.399 -0.813 . . . . 0.0 109.038 179.744 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.667 ' CD1' ' CE2' ' A' ' 87' ' ' PHE . 2.1 m-30 64.53 47.67 2.88 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.171 -0.956 . . . . 0.0 108.436 -179.315 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.482 ' C ' ' O ' ' A' ' 88' ' ' PHE . 2.9 tt0 -30.05 89.58 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.72 0 CA-C-O 121.438 0.637 . . . . 0.0 110.939 -179.464 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.537 ' N ' ' O ' ' A' ' 88' ' ' PHE . 16.8 p-80 -116.56 13.66 15.36 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.301 -0.874 . . . . 0.0 109.51 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 . . . . . 0 N--CA 1.488 1.458 0 CA-C-O 117.912 -1.042 . . . . 0.0 109.519 179.877 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 4.0 ptm . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 91.2 p -104.04 -174.11 2.47 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.323 -0.86 . . . . 0.0 109.399 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.916 ' HB3' HG22 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -72.7 -47.38 47.74 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.276 -0.89 . . . . 0.0 109.591 -179.835 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.857 HD23 ' HB3' ' A' ' 39' ' ' GLU . 16.7 tp -71.78 -48.08 49.05 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.243 -0.911 . . . . 0.0 109.693 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.563 ' O ' ' CG2' ' B' ' 8' ' ' VAL . 56.1 tt0 -54.21 -49.07 70.26 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 121.285 -0.885 . . . . 0.0 110.277 -179.115 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.681 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 21.0 mtpp -64.79 -38.85 92.38 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 120.733 -1.229 . . . . 0.0 110.721 -179.023 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.691 ' HB2' ' CB ' ' A' ' 9' ' ' ALA . . . -80.19 -71.08 0.47 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.847 -1.158 . . . . 0.0 110.205 -179.373 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 7' ' ' MET . . . . . 0.957 ' SD ' HG12 ' A' ' 77' ' ' VAL . 8.2 tpt -44.68 -47.31 10.58 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.408 -0.808 . . . . 0.0 110.251 -179.365 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.563 ' CG2' ' O ' ' B' ' 4' ' ' GLU . 11.3 t -70.14 -32.96 52.84 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.531 0 O-C-N 121.196 -0.94 . . . . 0.0 109.681 -179.466 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.681 ' CB ' ' HB2' ' A' ' 6' ' ' ALA . . . -62.75 -31.38 72.31 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.162 -0.961 . . . . 0.0 109.095 179.46 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.506 HD13 ' HE1' ' B' ' 74' ' ' MET . 0.4 OUTLIER -65.28 -48.47 73.08 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.237 -0.914 . . . . 0.0 108.835 179.712 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.706 HD11 ' CG2' ' A' ' 81' ' ' THR . 1.5 mp -53.83 -31.6 20.72 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 O-C-N 121.23 -0.919 . . . . 0.0 108.641 179.363 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -59.7 -51.66 68.83 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.406 -0.809 . . . . 0.0 109.028 179.547 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.915 HG22 ' HB3' ' A' ' 2' ' ' GLU . 48.4 t -49.04 -33.93 6.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.366 -0.834 . . . . 0.0 109.29 179.655 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.556 ' CZ ' HD23 ' B' ' 27' ' ' LEU . 10.1 t80 -58.92 -47.24 85.74 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.303 -0.873 . . . . 0.0 109.847 -179.743 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 23.9 t-80 -79.99 -2.44 44.05 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.192 -0.943 . . . . 0.0 109.726 -179.66 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.412 ' HB2' ' HA ' ' B' ' 13' ' ' VAL . 1.8 mm-40 -87.4 -21.05 25.86 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.153 -0.967 . . . . 0.0 109.678 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -117.67 -32.3 4.9 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.169 -0.957 . . . . 0.0 109.767 -179.61 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.27 -40.86 74.09 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.276 -0.89 . . . . 0.0 109.553 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 19' ' ' GLY . . . . . 0.424 ' O ' ' N ' ' B' ' 21' ' ' GLU . . . -50.64 -40.32 40.1 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.88 -1.288 . . . . 0.0 109.88 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.521 ' O ' ' CG ' ' B' ' 21' ' ' GLU . 43.7 mtp85 -54.96 92.76 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.101 -1.234 . . . . 0.0 109.678 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.521 ' CG ' ' O ' ' B' ' 20' ' ' ARG . 10.8 pt-20 41.47 -157.08 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.366 -0.834 . . . . 0.0 109.801 179.736 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 22' ' ' GLY . . . . . 0.447 ' N ' ' HG3' ' B' ' 21' ' ' GLU . . . 93.13 -156.49 22.86 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.346 -1.502 . . . . 0.0 109.346 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.51 ' HB3' ' HG2' ' B' ' 26' ' ' LYS . 5.7 t70 -96.65 -88.6 0.28 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.171 -1.194 . . . . 0.0 109.404 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.476 ' N ' ' OD1' ' B' ' 23' ' ' ASP . 3.5 tttt 178.85 135.89 0.09 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.082 -1.011 . . . . 0.0 110.049 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 47.27 42.58 13.83 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.375 -0.828 . . . . 0.0 109.909 179.323 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.51 ' HG2' ' HB3' ' B' ' 23' ' ' ASP . 0.0 OUTLIER -150.44 131.63 14.48 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.151 -0.968 . . . . 0.0 109.617 179.777 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.556 HD23 ' CZ ' ' B' ' 14' ' ' PHE . 0.5 OUTLIER -98.92 -160.71 0.82 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.252 -0.905 . . . . 0.0 109.282 179.782 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.405 ' O ' ' CB ' ' B' ' 32' ' ' LEU . 2.2 mtmt -149.21 -175.63 5.05 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.247 -0.908 . . . . 0.0 109.497 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.449 ' HB2' ' C ' ' B' ' 64' ' ' GLY . 30.6 mmtt -91.97 -22.33 20.07 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.22 -0.925 . . . . 0.0 109.478 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 30.8 t -80.13 -44.19 20.34 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.198 -0.939 . . . . 0.0 109.124 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.486 ' O ' ' HG3' ' B' ' 34' ' ' GLU . 1.1 tp10 -77.86 -23.98 48.68 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 179.229 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.511 HD13 ' CD1' ' B' ' 73' ' ' PHE . 10.9 tp -75.77 -40.69 54.85 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 178.831 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.55 ' HB2' HD22 ' B' ' 60' ' ' LEU . 8.8 tmtt? -58.91 -45.64 89.81 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 179.093 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.542 ' HG3' ' N ' ' B' ' 35' ' ' LEU . 0.0 OUTLIER -69.94 -32.61 70.97 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 179.393 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.768 ' CD1' HD22 ' A' ' 3' ' ' LEU . 0.2 OUTLIER -57.07 -42.29 80.34 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 179.826 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.824 HG23 HD23 ' B' ' 40' ' ' LEU . 0.6 OUTLIER -74.25 -55.15 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.338 -0.852 . . . . 0.0 109.304 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.492 ' HA ' ' HB2' ' B' ' 41' ' ' SER . 53.6 t-20 -69.98 -1.48 9.84 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.293 -0.88 . . . . 0.0 110.246 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.538 ' CB ' ' O ' ' B' ' 34' ' ' GLU . 9.9 t30 -87.84 -37.86 16.18 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.103 -0.998 . . . . 0.0 109.392 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.881 ' HB3' HD23 ' A' ' 3' ' ' LEU . 6.9 tp10 -130.59 -37.77 1.36 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.396 -0.815 . . . . 0.0 109.317 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.878 HD21 HG13 ' B' ' 77' ' ' VAL . 0.0 OUTLIER -71.4 -2.93 18.2 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.36 -0.838 . . . . 0.0 109.869 -179.408 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.492 ' HB2' ' HA ' ' B' ' 37' ' ' ASN . 32.3 t -80.29 -13.53 59.12 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.155 -0.965 . . . . 0.0 109.337 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -62.04 -25.39 67.64 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.278 -0.889 . . . . 0.0 109.601 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 43' ' ' PHE . . . . . 0.438 ' HB2' ' SG ' ' B' ' 84' ' ' CYS . 1.3 m-85 -113.35 58.05 0.67 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.299 -0.875 . . . . 0.0 109.528 -179.746 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.07 63.54 1.23 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.172 -0.955 . . . . 0.0 109.529 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -124.88 -35.48 2.68 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.362 -0.836 . . . . 0.0 109.261 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.43 ' O ' ' O ' ' B' ' 47' ' ' ILE . 3.5 mm-40 -122.53 -40.87 2.42 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.413 -0.805 . . . . 0.0 109.338 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.43 ' O ' ' O ' ' B' ' 46' ' ' GLU . 23.7 mt 61.63 121.71 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.297 -0.877 . . . . 0.0 109.627 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.462 ' HG3' ' HA ' ' B' ' 85' ' ' HIS . 2.9 tttt -96.93 -56.23 2.63 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.208 -0.933 . . . . 0.0 109.507 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.471 ' HB3' ' CG2' ' B' ' 52' ' ' VAL . 1.1 mm-40 -87.84 80.54 7.81 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.184 -0.947 . . . . 0.0 109.434 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 50' ' ' GLN . . . . . 0.508 ' O ' ' CB ' ' B' ' 54' ' ' ASP . 15.7 tm0? -59.05 -22.7 61.14 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.236 -0.915 . . . . 0.0 109.643 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -79.6 -38.0 34.93 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.187 -0.945 . . . . 0.0 109.436 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.471 ' CG2' ' HB3' ' B' ' 49' ' ' GLU . 95.1 t -64.37 -57.82 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.36 -0.838 . . . . 0.0 109.501 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.479 HG22 HG12 ' B' ' 80' ' ' VAL . 92.5 t -65.36 -29.58 47.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.277 -0.89 . . . . 0.0 109.473 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 54' ' ' ASP . . . . . 0.508 ' CB ' ' O ' ' B' ' 50' ' ' GLN . 50.2 t0 -74.1 -22.97 59.27 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.198 -0.939 . . . . 0.0 108.994 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.25 -52.74 7.37 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.295 -0.878 . . . . 0.0 109.633 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.596 HG23 ' N ' ' B' ' 57' ' ' MET . 30.9 m -65.08 -48.35 84.23 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.333 0 O-C-N 121.132 -0.98 . . . . 0.0 109.211 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.596 ' N ' HG23 ' B' ' 56' ' ' VAL . 55.1 tpp -62.25 -22.72 66.2 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.288 -0.882 . . . . 0.0 108.82 179.353 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 58' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' B' ' 54' ' ' ASP . 3.5 mt-10 -72.39 -55.49 6.99 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.409 -0.807 . . . . 0.0 109.651 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.57 -29.41 70.0 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.95 -1.094 . . . . 0.0 108.165 179.475 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.552 HD11 ' CD1' ' B' ' 36' ' ' ILE . 9.8 mt -63.51 -53.65 48.61 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 121.564 0.697 . . . . 0.0 109.202 179.479 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.82 -5.79 56.09 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.589 -0.694 . . . . 0.0 109.408 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -72.11 -28.69 63.45 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.211 -0.931 . . . . 0.0 109.405 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -145.0 -58.76 0.35 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.303 -0.873 . . . . 0.0 109.702 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 64' ' ' GLY . . . . . 0.449 ' C ' ' HB2' ' B' ' 29' ' ' LYS . . . 79.91 -6.85 57.9 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.588 -1.405 . . . . 0.0 109.588 -179.742 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -130.42 23.51 5.14 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.25 -1.147 . . . . 0.0 109.458 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.423 ' H ' ' CG ' ' B' ' 29' ' ' LYS . . . -89.96 178.9 43.88 Favored Glycine 0 N--CA 1.489 2.194 0 N-CA-C 109.641 -1.383 . . . . 0.0 109.641 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -106.68 140.47 39.49 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.235 -1.156 . . . . 0.0 109.501 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 1.3 m -115.84 157.7 24.03 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.238 -0.914 . . . . 0.0 109.557 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -101.37 -163.09 0.99 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.272 -0.893 . . . . 0.0 109.262 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.611 ' CD2' ' HG3' ' B' ' 71' ' ' GLN . 1.3 p90 -88.03 -47.52 8.46 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.189 -0.944 . . . . 0.0 109.362 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.611 ' HG3' ' CD2' ' B' ' 70' ' ' PHE . 7.4 mt-30 -70.95 -16.39 62.65 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.155 -0.966 . . . . 0.0 109.058 179.553 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.56 -59.47 2.68 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.298 -0.877 . . . . 0.0 109.029 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.577 ' O ' ' CD1' ' B' ' 73' ' ' PHE . 1.7 t80 -63.24 -19.58 64.68 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.23 -0.919 . . . . 0.0 108.539 179.278 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.57 ' HE2' ' HB3' ' A' ' 78' ' ' SER . 7.7 mmm -79.93 -52.44 7.85 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.241 -0.912 . . . . 0.0 109.062 179.701 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.501 ' O ' ' HG3' ' B' ' 79' ' ' MET . . . -68.46 -16.18 63.81 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.384 -0.823 . . . . 0.0 108.85 179.569 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.65 ' O ' HG22 ' B' ' 80' ' ' VAL . 1.7 m-85 -78.17 -37.73 45.12 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.425 -0.797 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.953 HG12 ' SD ' ' A' ' 7' ' ' MET . 78.5 t -75.35 -30.28 22.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.373 -0.829 . . . . 0.0 109.784 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 78' ' ' SER . . . . . 0.566 ' HB3' ' HE2' ' A' ' 74' ' ' MET . 38.7 m -77.12 -38.37 52.29 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.112 -0.992 . . . . 0.0 110.162 -179.433 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 79' ' ' MET . . . . . 0.501 ' HG3' ' O ' ' B' ' 75' ' ' ALA . 1.2 mmm -60.64 -50.45 73.45 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.116 -0.99 . . . . 0.0 110.339 -179.377 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.768 HG21 HG23 ' B' ' 36' ' ' ILE . 1.7 m -68.15 -36.19 74.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.016 -1.053 . . . . 0.0 110.566 -178.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.678 HG21 ' HG3' ' A' ' 7' ' ' MET . 10.5 m -67.87 -7.7 30.29 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.955 -1.091 . . . . 0.0 110.227 -179.331 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.492 ' HB ' ' HG2' ' A' ' 71' ' ' GLN . 26.6 p -120.74 -10.6 9.14 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.083 -1.011 . . . . 0.0 109.566 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -90.86 47.5 1.42 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.155 -0.966 . . . . 0.0 109.292 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 84' ' ' CYS . . . . . 0.438 ' SG ' ' HB2' ' B' ' 43' ' ' PHE . 5.1 m -132.35 138.6 47.82 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.316 -0.865 . . . . 0.0 109.63 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 85' ' ' HIS . . . . . 0.462 ' HA ' ' HG3' ' B' ' 48' ' ' LYS . 0.2 OUTLIER -64.68 -63.98 0.99 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.325 -0.86 . . . . 0.0 109.505 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -84.4 103.59 13.7 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.154 -0.966 . . . . 0.0 109.568 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 87' ' ' PHE . . . . . 0.676 ' CE2' ' CD1' ' B' ' 88' ' ' PHE . 0.1 OUTLIER -158.61 -167.11 2.06 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.419 -0.801 . . . . 0.0 109.029 179.767 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.676 ' CD1' ' CE2' ' B' ' 87' ' ' PHE . 2.2 m-30 64.63 47.57 2.82 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.142 -0.974 . . . . 0.0 108.389 -179.377 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.492 ' C ' ' O ' ' B' ' 88' ' ' PHE . 2.9 tt0 -29.99 89.72 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.749 0 CA-C-O 121.365 0.602 . . . . 0.0 110.9 -179.429 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 90' ' ' HIS . . . . . 0.536 ' N ' ' O ' ' B' ' 88' ' ' PHE . 16.9 p-80 -116.7 13.63 15.2 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.253 -0.905 . . . . 0.0 109.441 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 117.906 -1.045 . . . . 0.0 109.494 179.907 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . 0.453 ' HB2' ' HG3' ' B' ' 39' ' ' GLU . 17.2 p . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.496 ' CB ' HG22 ' B' ' 13' ' ' VAL . 11.7 mm-40 -80.75 -58.36 3.14 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.232 -0.917 . . . . 0.0 110.531 -179.497 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.958 HD22 HD12 ' B' ' 35' ' ' LEU . 1.7 tp -60.31 -30.9 69.79 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.156 -0.965 . . . . 0.0 110.706 -178.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.6 ' O ' HG23 ' A' ' 8' ' ' VAL . 17.1 tt0 -73.01 -65.63 0.77 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.999 -1.063 . . . . 0.0 110.633 -178.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.487 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.5 OUTLIER -54.81 -36.79 65.33 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.782 -1.199 . . . . 0.0 109.945 -179.252 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -81.06 -69.75 0.58 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.318 -0.864 . . . . 0.0 110.672 -179.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.64 ' HE2' ' HA ' ' B' ' 78' ' ' SER . 11.8 tpt -48.94 -54.03 17.2 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.24 -0.913 . . . . 0.0 109.659 -179.323 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 4' ' ' GLU . 15.6 t -56.2 -33.99 38.41 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.624 0 O-C-N 121.427 -0.796 . . . . 0.0 109.79 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.487 ' HB2' ' O ' ' A' ' 5' ' ' LYS . . . -60.55 -35.6 76.41 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.093 -1.004 . . . . 0.0 108.959 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.834 HD13 ' HE1' ' A' ' 74' ' ' MET . 0.4 OUTLIER -58.83 -50.14 75.09 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.142 -0.974 . . . . 0.0 108.775 179.503 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.61 HD11 HG22 ' B' ' 81' ' ' THR . 20.6 mt -50.46 -27.22 4.29 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.279 -0.888 . . . . 0.0 108.611 179.28 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -72.12 -45.51 60.3 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.627 -0.671 . . . . 0.0 109.635 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.484 HG22 ' CB ' ' B' ' 2' ' ' GLU . 24.3 t -50.0 -46.06 23.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.388 -0.82 . . . . 0.0 109.669 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.462 ' CE2' ' HA ' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -61.18 -41.27 96.5 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.021 -1.049 . . . . 0.0 109.551 -179.688 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -69.72 -18.82 63.56 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.237 -0.914 . . . . 0.0 109.253 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 17' ' ' TYR . 28.1 tt0 -95.17 -77.94 0.46 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.327 -0.858 . . . . 0.0 109.585 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.494 ' CG ' HD21 ' A' ' 35' ' ' LEU . 5.0 m-85 -43.03 -51.89 5.51 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.346 -0.846 . . . . 0.0 109.746 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.493 1.681 0 O-C-N 121.173 -0.954 . . . . 0.0 109.559 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 . . . . . 0 N--CA 1.493 1.681 0 CA-C-O 121.156 0.503 . . . . 0.0 109.738 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.4 130.59 13.6 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.096 -1.002 . . . . 0.0 109.49 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.6 tp -98.9 -166.55 1.37 Allowed 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.281 -0.887 . . . . 0.0 109.326 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.488 ' HA ' ' HA ' ' A' ' 67' ' ' GLU . 2.7 ttmt -130.88 134.01 46.4 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.29 -0.881 . . . . 0.0 108.88 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.597 ' HD2' ' N ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -40.99 -29.99 0.12 Allowed 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.292 -0.88 . . . . 0.0 110.638 -179.152 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.597 ' N ' ' HD2' ' A' ' 29' ' ' LYS . 7.1 t -80.09 -40.87 26.69 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.849 -1.157 . . . . 0.0 110.09 -179.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.522 ' O ' ' HB2' ' A' ' 35' ' ' LEU . 1.1 tp10 -72.76 -16.74 61.64 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 120.938 -1.101 . . . . 0.0 108.722 179.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.481 ' O ' HG13 ' A' ' 36' ' ' ILE . 23.0 tp -81.54 -55.13 4.87 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 178.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.726 ' HG3' HD13 ' A' ' 60' ' ' LEU . 23.3 tttt -55.34 -36.35 66.17 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 178.453 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.532 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 0.1 OUTLIER -73.9 -35.81 64.69 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 179.305 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.913 HD12 HD22 ' B' ' 3' ' ' LEU . 0.1 OUTLIER -57.43 -38.96 75.24 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.579 -0.701 . . . . 0.0 109.481 179.648 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.733 HG21 HG21 ' A' ' 80' ' ' VAL . 0.7 OUTLIER -80.99 -52.88 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.429 -0.795 . . . . 0.0 110.653 -179.306 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.443 ' O ' ' OD1' ' A' ' 37' ' ' ASN . 20.8 t-20 -74.96 -1.72 23.86 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.241 -0.912 . . . . 0.0 111.038 -178.493 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.532 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 11.2 t30 -111.05 -63.77 1.36 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.833 -1.167 . . . . 0.0 109.722 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.563 ' HB3' ' CB ' ' B' ' 3' ' ' LEU . 1.0 OUTLIER -63.93 -57.24 10.37 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.224 -0.922 . . . . 0.0 109.646 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.639 HD11 ' HG2' ' B' ' 7' ' ' MET . 9.3 mt -73.68 -101.49 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.152 -0.968 . . . . 0.0 109.234 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 40' ' ' LEU . 9.6 t 39.43 88.77 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.32 -0.863 . . . . 0.0 110.027 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -167.11 -59.56 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.122 -0.986 . . . . 0.0 109.779 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.416 ' HE2' HD22 ' A' ' 40' ' ' LEU . 35.8 p90 -88.25 23.81 2.05 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.222 -0.924 . . . . 0.0 109.747 -179.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -87.45 125.08 34.07 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.168 -0.957 . . . . 0.0 108.857 179.497 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -130.34 -78.05 0.54 Allowed 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.228 -0.92 . . . . 0.0 109.746 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -106.95 -22.65 12.61 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.242 -0.911 . . . . 0.0 109.989 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.4 mt 61.03 88.78 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.091 -1.006 . . . . 0.0 109.158 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.5 tttt -71.64 -33.36 68.85 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.187 -0.946 . . . . 0.0 109.945 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.827 ' OE1' HG23 ' A' ' 52' ' ' VAL . 10.4 mm-40 -85.88 60.69 6.39 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.907 -1.121 . . . . 0.0 109.457 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.544 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 37.6 tt0 -54.11 -21.58 8.93 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.29 -0.881 . . . . 0.0 109.085 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -80.12 -36.04 35.89 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.322 -0.861 . . . . 0.0 109.59 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.827 HG23 ' OE1' ' A' ' 49' ' ' GLU . 63.2 t -68.76 -51.16 48.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.197 -0.939 . . . . 0.0 109.38 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.548 ' O ' ' CB ' ' A' ' 57' ' ' MET . 39.0 t -72.85 -30.5 32.96 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.292 -0.88 . . . . 0.0 109.649 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.544 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 32.9 t0 -79.78 -18.65 50.49 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.955 -1.091 . . . . 0.0 108.842 179.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.86 -49.15 11.41 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.346 -0.846 . . . . 0.0 109.299 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.772 HG22 ' O ' ' A' ' 52' ' ' VAL . 2.1 m -76.71 -35.48 25.12 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 O-C-N 121.194 -0.941 . . . . 0.0 108.662 179.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.548 ' CB ' ' O ' ' A' ' 53' ' ' VAL . 4.1 ttm -71.12 -24.85 62.37 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 179.133 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 54' ' ' ASP . 22.6 mt-10 -73.48 -55.17 6.69 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 179.317 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.474 ' O ' ' OD2' ' A' ' 63' ' ' ASP . 8.8 m -60.89 -26.98 67.81 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.135 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.726 HD13 ' HG3' ' A' ' 33' ' ' LYS . 10.5 mt -66.08 -54.13 29.5 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 179.391 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.2 -3.99 51.3 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.618 -0.676 . . . . 0.0 109.795 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -79.91 -42.71 23.57 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.134 -0.979 . . . . 0.0 110.073 -179.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.474 ' OD2' ' O ' ' A' ' 59' ' ' THR . 0.0 OUTLIER -94.58 -60.34 1.73 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.201 -0.937 . . . . 0.0 109.56 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.518 ' HA2' ' HD3' ' A' ' 29' ' ' LYS . . . 44.3 25.9 0.85 Allowed Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.25 -1.54 . . . . 0.0 109.25 -179.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 63' ' ' ASP . 22.7 t0 -143.83 -7.54 0.74 Allowed 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.309 -1.113 . . . . 0.0 110.846 -179.154 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.481 ' O ' ' HG3' ' A' ' 29' ' ' LYS . . . -115.14 -164.06 14.27 Favored Glycine 0 N--CA 1.488 2.136 0 O-C-N 120.672 -1.267 . . . . 0.0 110.238 -179.217 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.488 ' HA ' ' HA ' ' A' ' 28' ' ' LYS . 1.6 mp0 -121.46 155.28 35.24 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.407 -1.055 . . . . 0.0 109.495 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 15.1 m -99.97 165.3 11.61 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.223 -0.923 . . . . 0.0 109.598 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -102.02 -163.6 1.02 Allowed 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.205 -0.935 . . . . 0.0 109.39 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.629 ' CZ ' ' CG ' ' A' ' 71' ' ' GLN . 10.4 p90 -92.54 -33.53 14.42 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.262 -0.899 . . . . 0.0 109.229 179.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.629 ' CG ' ' CZ ' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -80.26 -23.62 40.66 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 178.66 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -78.09 -54.28 6.44 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.799 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -64.54 -19.31 65.55 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.292 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.834 ' HE1' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -78.27 -52.32 8.83 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.407 -0.808 . . . . 0.0 109.418 179.89 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.509 ' O ' ' HG3' ' A' ' 79' ' ' MET . . . -70.53 -17.54 62.94 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.266 -0.896 . . . . 0.0 108.929 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.639 ' O ' HG22 ' A' ' 80' ' ' VAL . 1.5 m-85 -80.14 -39.27 29.79 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.444 -0.785 . . . . 0.0 109.541 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.799 HG23 ' O ' ' A' ' 73' ' ' PHE . 59.8 t -71.51 -26.91 27.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 O-C-N 121.226 -0.921 . . . . 0.0 110.325 -179.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.618 ' HA ' ' HE2' ' B' ' 7' ' ' MET . 3.7 m -77.8 -44.39 27.62 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.09 -1.006 . . . . 0.0 110.409 -179.294 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.509 ' HG3' ' O ' ' A' ' 75' ' ' ALA . 1.9 mmm -57.58 -44.8 85.6 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.085 -1.01 . . . . 0.0 110.468 -179.221 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.733 HG21 HG21 ' A' ' 36' ' ' ILE . 2.6 m -69.98 -40.67 78.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.133 -0.98 . . . . 0.0 110.681 -178.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.645 HG21 ' HG3' ' B' ' 7' ' ' MET . 2.0 m -67.07 -8.63 31.94 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.731 -1.231 . . . . 0.0 109.304 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.566 ' HB ' ' CE2' ' B' ' 70' ' ' PHE . 10.4 p -117.2 -0.4 12.08 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.297 -0.877 . . . . 0.0 109.709 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.489 ' CB ' HG23 ' A' ' 53' ' ' VAL . . . . . . . . 0 N--CA 1.492 1.625 0 O-C-N 121.158 -0.964 . . . . 0.0 109.608 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . 0.441 ' HB2' ' HG3' ' A' ' 39' ' ' GLU . 17.0 p . . . . . 0 N--CA 1.491 1.619 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.484 ' CB ' HG22 ' A' ' 13' ' ' VAL . 11.7 mm-40 -80.74 -58.4 3.12 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.271 -0.893 . . . . 0.0 110.617 -179.478 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.913 HD22 HD12 ' A' ' 35' ' ' LEU . 1.6 tp -60.25 -30.99 69.78 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.217 -0.927 . . . . 0.0 110.686 -178.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.606 ' O ' HG23 ' B' ' 8' ' ' VAL . 17.1 tt0 -72.88 -65.81 0.75 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.911 -1.118 . . . . 0.0 110.643 -178.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.492 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 0.5 OUTLIER -54.85 -36.7 65.34 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.82 -1.175 . . . . 0.0 109.852 -179.198 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -81.07 -69.9 0.57 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.268 -0.895 . . . . 0.0 110.647 -179.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . 0.645 ' HG3' HG21 ' A' ' 81' ' ' THR . 11.9 tpt -48.81 -54.17 16.24 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.28 -0.888 . . . . 0.0 109.557 -179.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.606 HG23 ' O ' ' B' ' 4' ' ' GLU . 15.6 t -56.12 -33.93 37.76 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 O-C-N 121.497 -0.752 . . . . 0.0 109.828 -179.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.492 ' HB2' ' O ' ' B' ' 5' ' ' LYS . . . -60.68 -35.64 76.77 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.069 -1.02 . . . . 0.0 108.941 179.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.836 HD13 ' CE ' ' B' ' 74' ' ' MET . 0.4 OUTLIER -58.72 -50.2 74.77 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.226 -0.921 . . . . 0.0 108.761 179.48 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.596 HD11 HG22 ' A' ' 81' ' ' THR . 20.7 mt -50.44 -27.26 4.29 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 179.283 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -72.08 -45.44 60.67 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.58 -0.7 . . . . 0.0 109.685 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . 0.496 HG22 ' CB ' ' A' ' 2' ' ' GLU . 24.4 t -50.02 -46.08 23.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.4 -0.812 . . . . 0.0 109.655 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.468 ' CE2' ' HA ' ' B' ' 70' ' ' PHE . 0.1 OUTLIER -61.17 -41.23 96.41 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.047 -1.033 . . . . 0.0 109.549 -179.696 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -69.72 -18.87 63.55 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.213 -0.93 . . . . 0.0 109.254 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' B' ' 17' ' ' TYR . 28.0 tt0 -95.27 -77.71 0.47 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.363 -0.836 . . . . 0.0 109.609 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.49 ' CG ' HD21 ' B' ' 35' ' ' LEU . 4.9 m-85 -43.17 -51.93 5.78 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.259 -0.901 . . . . 0.0 109.717 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.492 1.665 0 O-C-N 121.223 -0.923 . . . . 0.0 109.596 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 . . . . . 0 N--CA 1.493 1.685 0 CA-C-O 121.19 0.519 . . . . 0.0 109.834 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.39 130.74 13.73 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.176 -0.953 . . . . 0.0 109.5 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 3.6 tp -98.98 -166.54 1.37 Allowed 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.351 -0.843 . . . . 0.0 109.294 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.486 ' HA ' ' HA ' ' B' ' 67' ' ' GLU . 2.7 ttmt -130.85 134.02 46.44 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.377 -0.827 . . . . 0.0 108.973 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.587 ' HD2' ' N ' ' B' ' 30' ' ' SER . 0.0 OUTLIER -41.0 -30.01 0.12 Allowed 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.233 -0.917 . . . . 0.0 110.542 -179.131 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.587 ' N ' ' HD2' ' B' ' 29' ' ' LYS . 7.1 t -80.17 -40.91 26.34 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.916 -1.115 . . . . 0.0 110.047 -179.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.511 ' O ' ' HB2' ' B' ' 35' ' ' LEU . 1.1 tp10 -72.68 -16.86 61.68 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.059 -1.026 . . . . 0.0 108.642 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.474 ' O ' HG13 ' B' ' 36' ' ' ILE . 23.1 tp -81.46 -55.2 4.84 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 178.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.723 ' HG3' HD13 ' B' ' 60' ' ' LEU . 23.2 tttt -55.38 -36.31 66.25 Favored 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 178.464 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.53 ' O ' ' CB ' ' B' ' 38' ' ' ASN . 0.1 OUTLIER -73.9 -35.98 64.72 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 179.337 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.958 HD12 HD22 ' A' ' 3' ' ' LEU . 0.1 OUTLIER -57.44 -38.96 75.26 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.51 -0.744 . . . . 0.0 109.381 179.702 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.725 HG21 HG21 ' B' ' 80' ' ' VAL . 0.7 OUTLIER -81.04 -52.78 13.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.393 -0.817 . . . . 0.0 110.698 -179.331 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.441 ' OD1' ' O ' ' B' ' 37' ' ' ASN . 20.8 t-20 -75.12 -1.56 23.64 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.213 -0.93 . . . . 0.0 110.944 -178.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.53 ' CB ' ' O ' ' B' ' 34' ' ' GLU . 11.3 t30 -111.17 -63.75 1.37 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.791 -1.193 . . . . 0.0 109.723 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.551 ' HB3' ' CB ' ' A' ' 3' ' ' LEU . 1.0 OUTLIER -64.04 -57.19 10.41 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.123 -0.986 . . . . 0.0 109.501 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.628 HD11 ' HG2' ' A' ' 7' ' ' MET . 9.3 mt -73.75 -101.51 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.115 -0.991 . . . . 0.0 109.226 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.447 ' C ' ' O ' ' B' ' 40' ' ' LEU . 9.6 t 39.36 88.79 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.272 -0.892 . . . . 0.0 110.075 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -167.07 -59.66 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.244 -0.91 . . . . 0.0 109.734 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . 0.414 ' HE2' HD22 ' B' ' 40' ' ' LEU . 36.1 p90 -88.1 23.77 2.01 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.138 -0.976 . . . . 0.0 109.823 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -87.49 125.15 34.14 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.178 -0.952 . . . . 0.0 108.956 179.512 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -130.41 -78.12 0.54 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.291 -0.881 . . . . 0.0 109.769 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -106.93 -22.69 12.6 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.371 -0.83 . . . . 0.0 109.978 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 15.6 mt 61.11 88.8 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.105 -0.997 . . . . 0.0 109.131 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 24.7 tttt -71.74 -33.21 68.5 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.108 -0.995 . . . . 0.0 109.965 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.811 ' OE1' HG23 ' B' ' 52' ' ' VAL . 10.3 mm-40 -86.03 60.81 6.46 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.113 -0.992 . . . . 0.0 109.361 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . 0.555 ' O ' ' CB ' ' B' ' 54' ' ' ASP . 37.6 tt0 -54.1 -21.7 9.17 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.276 -0.89 . . . . 0.0 109.101 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -80.03 -35.97 36.47 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.286 -0.884 . . . . 0.0 109.657 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.811 HG23 ' OE1' ' B' ' 49' ' ' GLU . 63.2 t -68.77 -51.21 47.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.253 -0.905 . . . . 0.0 109.417 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.541 ' O ' ' CB ' ' B' ' 57' ' ' MET . 38.8 t -72.87 -30.49 32.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.222 -0.924 . . . . 0.0 109.594 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . 0.555 ' CB ' ' O ' ' B' ' 50' ' ' GLN . 32.9 t0 -79.81 -18.61 50.51 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.974 -1.079 . . . . 0.0 108.743 179.437 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.94 -49.16 11.33 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.324 -0.86 . . . . 0.0 109.319 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.778 HG22 ' O ' ' B' ' 52' ' ' VAL . 2.2 m -76.69 -35.49 25.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.132 -0.98 . . . . 0.0 108.678 179.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.541 ' CB ' ' O ' ' B' ' 53' ' ' VAL . 4.1 ttm -71.3 -24.75 62.2 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.158 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . 0.496 ' CG ' ' O ' ' B' ' 54' ' ' ASP . 22.4 mt-10 -73.48 -55.16 6.7 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.302 -0.874 . . . . 0.0 108.707 179.25 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . 0.481 ' O ' ' OD2' ' B' ' 63' ' ' ASP . 8.5 m -60.8 -27.02 67.7 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.025 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.723 HD13 ' HG3' ' B' ' 33' ' ' LYS . 10.5 mt -66.12 -54.02 30.67 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.521 -0.737 . . . . 0.0 109.126 179.36 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.29 -3.96 51.44 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.636 -0.665 . . . . 0.0 109.725 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 72.1 tt0 -80.0 -42.63 23.47 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.125 -0.985 . . . . 0.0 109.98 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.481 ' OD2' ' O ' ' B' ' 59' ' ' THR . 0.0 OUTLIER -94.53 -60.44 1.71 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.248 -0.907 . . . . 0.0 109.691 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . 0.519 ' HA2' ' HD3' ' B' ' 29' ' ' LYS . . . 44.37 25.99 0.89 Allowed Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.273 -1.531 . . . . 0.0 109.273 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' B' ' 63' ' ' ASP . 22.6 t0 -143.9 -7.53 0.74 Allowed 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.306 -1.114 . . . . 0.0 110.876 -179.112 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . 0.472 ' O ' ' HG3' ' B' ' 29' ' ' LYS . . . -115.19 -164.14 14.27 Favored Glycine 0 N--CA 1.488 2.119 0 C-N-CA 119.697 -1.24 . . . . 0.0 110.307 -179.187 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.486 ' HA ' ' HA ' ' B' ' 28' ' ' LYS . 1.6 mp0 -121.34 155.24 35.17 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.38 -1.071 . . . . 0.0 109.494 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 14.8 m -100.03 165.31 11.59 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.157 -0.964 . . . . 0.0 109.568 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -102.01 -163.59 1.02 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.257 -0.902 . . . . 0.0 109.456 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.621 ' CZ ' ' CG ' ' B' ' 71' ' ' GLN . 10.3 p90 -92.5 -33.56 14.43 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.226 -0.921 . . . . 0.0 109.205 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.621 ' CG ' ' CZ ' ' B' ' 70' ' ' PHE . 0.1 OUTLIER -80.32 -23.57 40.52 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 178.672 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -78.2 -54.19 6.51 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.796 ' O ' HG23 ' B' ' 77' ' ' VAL . 0.0 OUTLIER -64.62 -19.35 65.64 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 179.312 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.836 ' CE ' HD13 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -78.22 -52.25 8.96 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.412 -0.805 . . . . 0.0 109.478 179.861 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.506 ' O ' ' HG3' ' B' ' 79' ' ' MET . . . -70.7 -17.3 62.83 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.19 -0.944 . . . . 0.0 108.927 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.648 ' O ' HG22 ' B' ' 80' ' ' VAL . 1.5 m-85 -80.3 -39.2 29.24 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.447 -0.783 . . . . 0.0 109.586 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.796 HG23 ' O ' ' B' ' 73' ' ' PHE . 59.9 t -71.47 -26.96 27.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.294 -0.879 . . . . 0.0 110.256 -179.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . 0.64 ' HA ' ' HE2' ' A' ' 7' ' ' MET . 3.7 m -77.85 -44.38 27.46 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.053 -1.03 . . . . 0.0 110.453 -179.263 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . 0.506 ' HG3' ' O ' ' B' ' 75' ' ' ALA . 1.9 mmm -57.51 -44.82 85.34 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.069 -1.02 . . . . 0.0 110.488 -179.276 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.725 HG21 HG21 ' B' ' 36' ' ' ILE . 2.6 m -70.04 -40.65 78.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.18 -0.95 . . . . 0.0 110.687 -178.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.626 HG21 ' HG3' ' A' ' 7' ' ' MET . 2.0 m -67.09 -8.6 31.86 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.825 -1.172 . . . . 0.0 109.266 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.576 ' HB ' ' CE2' ' A' ' 70' ' ' PHE . 10.3 p -117.18 -0.44 12.08 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.173 -0.955 . . . . 0.0 109.655 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.488 ' CB ' HG23 ' B' ' 53' ' ' VAL . . . . . . . . 0 N--CA 1.491 1.592 0 O-C-N 121.122 -0.986 . . . . 0.0 109.716 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . 0.52 ' CB ' ' OE1' ' B' ' 39' ' ' GLU . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 121.289 0.566 . . . . 0.0 109.504 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.836 ' HB3' HG22 ' B' ' 13' ' ' VAL . 4.0 tp10 -78.45 -61.01 2.14 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.257 -0.902 . . . . 0.0 109.765 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.9 HD23 ' HB2' ' B' ' 39' ' ' GLU . 4.0 tp -62.59 -53.83 48.71 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.358 -0.839 . . . . 0.0 110.181 -179.626 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.532 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 2.6 tm-20 -48.22 -35.97 12.92 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.127 -0.983 . . . . 0.0 110.253 -178.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.553 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -80.15 -33.36 38.55 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.965 -1.084 . . . . 0.0 109.813 -179.661 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.593 ' CB ' ' HB3' ' B' ' 9' ' ' ALA . . . -80.8 -67.78 0.74 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.23 -0.919 . . . . 0.0 110.001 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.995 ' HE2' HG12 ' B' ' 77' ' ' VAL . 7.0 tpp -46.18 -51.49 14.06 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.413 -0.804 . . . . 0.0 109.864 -179.557 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.532 ' CG2' ' O ' ' A' ' 4' ' ' GLU . 21.5 t -64.04 -31.8 54.74 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.561 0 O-C-N 121.343 -0.848 . . . . 0.0 109.746 -179.254 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.588 ' HB3' ' CB ' ' B' ' 6' ' ' ALA . . . -65.29 -34.56 78.62 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.233 -0.917 . . . . 0.0 109.448 179.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.799 HD22 ' SD ' ' A' ' 74' ' ' MET . 0.6 OUTLIER -63.13 -62.58 1.61 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.368 -0.833 . . . . 0.0 109.173 179.81 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.616 HD11 ' O ' ' B' ' 81' ' ' THR . 52.8 mt -46.04 -28.61 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 O-C-N 121.333 -0.854 . . . . 0.0 108.752 179.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 13' ' ' VAL . 15.4 t0 -62.6 -51.85 65.68 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.507 -0.746 . . . . 0.0 109.04 179.455 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.809 HG22 ' HB3' ' B' ' 2' ' ' GLU . 36.4 t -45.53 -34.26 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.275 -0.891 . . . . 0.0 109.078 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.619 ' CD1' ' CE1' ' A' ' 73' ' ' PHE . 15.3 t80 -62.31 -49.74 74.42 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.297 -0.877 . . . . 0.0 109.096 179.695 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.521 ' O ' ' CG ' ' A' ' 15' ' ' HIS . 4.0 t-80 -75.77 -4.95 43.41 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.259 -0.9 . . . . 0.0 109.038 179.624 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.493 ' HB2' ' HA ' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -74.15 -37.53 64.0 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.21 -0.931 . . . . 0.0 109.662 -179.709 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.529 ' OH ' ' CD2' ' A' ' 35' ' ' LEU . 8.7 p90 -159.61 33.02 0.19 Allowed 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.203 -0.936 . . . . 0.0 109.287 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.536 ' HA ' ' CD1' ' A' ' 27' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.56 0 O-C-N 121.29 -0.881 . . . . 0.0 109.414 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 25.6 m-70 . . . . . 0 N--CA 1.489 1.492 0 CA-C-O 121.169 0.509 . . . . 0.0 110.006 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt -122.56 125.67 46.18 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.25 -0.906 . . . . 0.0 109.433 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.536 ' CD1' ' HA ' ' A' ' 18' ' ' SER . 1.6 tp -96.89 -158.29 0.65 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.225 -0.922 . . . . 0.0 109.507 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -150.47 -173.2 4.39 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.077 -1.015 . . . . 0.0 109.771 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.477 ' HG3' ' HB2' ' A' ' 63' ' ' ASP . 14.5 mmtt -80.78 -29.41 36.15 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.237 -0.914 . . . . 0.0 109.651 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 29.6 p -80.67 -36.39 32.46 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.138 -0.976 . . . . 0.0 109.553 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.472 ' O ' ' HB2' ' A' ' 35' ' ' LEU . 2.5 tt0 -80.49 -24.86 39.15 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.151 -0.968 . . . . 0.0 108.821 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.783 HD13 ' HB2' ' A' ' 73' ' ' PHE . 50.6 tp -80.39 -42.14 23.34 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 179.177 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.534 ' HA ' HD13 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -60.63 -35.61 76.6 Favored 'General case' 0 N--CA 1.485 1.301 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.356 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.585 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 0.0 OUTLIER -80.32 -32.46 37.92 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 179.141 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.55 ' N ' ' HG3' ' A' ' 34' ' ' GLU . 0.1 OUTLIER -53.58 -48.42 69.22 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-O 121.727 0.775 . . . . 0.0 108.939 179.341 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.711 ' HA ' HD23 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -80.42 -54.35 10.86 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 O-C-N 121.595 -0.691 . . . . 0.0 110.582 -179.357 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -70.41 -0.69 8.75 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 120.827 -1.171 . . . . 0.0 112.015 -177.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.585 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 2.0 t30 -102.91 -33.0 9.48 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.525 -1.359 . . . . 0.0 110.553 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.892 ' HB2' HD23 ' B' ' 3' ' ' LEU . 3.7 mm-40 -114.52 -26.14 8.05 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.804 -1.185 . . . . 0.0 110.605 -179.044 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.711 HD23 ' HA ' ' A' ' 36' ' ' ILE . 1.2 mm? -79.41 -52.81 7.59 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 40' ' ' LEU . 26.6 t -39.25 97.23 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.462 0 CA-C-O 121.315 0.579 . . . . 0.0 109.869 179.629 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.456 ' N ' ' O ' ' A' ' 40' ' ' LEU . 8.2 t60 -179.59 -34.04 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.332 -0.855 . . . . 0.0 109.169 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -116.74 25.12 10.78 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.373 -0.829 . . . . 0.0 108.905 179.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.448 ' HG ' HD11 ' A' ' 47' ' ' ILE . 8.1 mp -97.72 115.53 28.16 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.295 -0.878 . . . . 0.0 109.56 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -125.91 -75.18 0.59 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.271 -0.893 . . . . 0.0 109.307 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.405 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 7.5 mt-10 -90.68 -45.58 8.78 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.311 -0.868 . . . . 0.0 109.498 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.448 HD11 ' HG ' ' A' ' 44' ' ' LEU . 10.2 mm 66.37 82.17 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.264 -0.898 . . . . 0.0 109.45 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.27 -34.04 72.32 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.213 -0.929 . . . . 0.0 109.628 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.944 ' OE1' HG23 ' A' ' 52' ' ' VAL . 13.4 mm-40 -85.96 61.74 7.02 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.117 -0.989 . . . . 0.0 109.215 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.472 ' O ' ' HB2' ' A' ' 54' ' ' ASP . 6.8 tt0 -55.89 -24.63 38.53 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.157 -0.964 . . . . 0.0 109.502 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.477 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 1.8 mt-10 -77.02 -32.39 57.05 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.167 -0.958 . . . . 0.0 109.7 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.944 HG23 ' OE1' ' A' ' 49' ' ' GLU . 78.4 t -69.49 -49.93 55.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.268 -0.895 . . . . 0.0 109.865 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 72.6 t -75.15 -30.52 23.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.264 -0.897 . . . . 0.0 109.438 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.472 ' HB2' ' O ' ' A' ' 50' ' ' GLN . 1.8 m-20 -79.78 -18.18 51.62 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.185 -0.947 . . . . 0.0 108.811 179.306 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.477 ' HB2' ' O ' ' A' ' 51' ' ' GLU . 7.3 tmtt? -78.47 -45.8 21.25 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.381 -0.824 . . . . 0.0 109.12 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.906 HG21 ' CG1' ' A' ' 80' ' ' VAL . 4.2 m -76.14 -38.74 35.02 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 O-C-N 121.137 -0.977 . . . . 0.0 108.892 179.435 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 47.5 tpp -68.92 -23.75 64.21 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.459 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 10.0 mt-10 -74.12 -56.88 4.4 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.377 -0.827 . . . . 0.0 109.112 179.585 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.5 m -60.32 -26.84 66.86 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.388 -0.968 . . . . 0.0 108.388 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.534 HD13 ' HA ' ' A' ' 33' ' ' LYS . 10.6 mt -67.38 -53.74 26.61 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-O 121.534 0.683 . . . . 0.0 109.438 179.606 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.83 -5.57 51.31 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.37 -0.831 . . . . 0.0 109.81 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -73.5 -57.59 3.9 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.191 -0.943 . . . . 0.0 109.692 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.477 ' HB2' ' HG3' ' A' ' 29' ' ' LYS . 0.8 OUTLIER -79.37 -64.16 1.25 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.347 -0.846 . . . . 0.0 109.454 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.444 ' O ' ' HB2' ' A' ' 29' ' ' LYS . . . 93.29 -51.74 2.44 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -125.6 32.05 5.4 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.347 -1.09 . . . . 0.0 109.356 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.92 162.9 30.34 Favored Glycine 0 N--CA 1.488 2.165 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -89.34 148.35 23.57 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.231 -1.158 . . . . 0.0 109.486 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.481 ' HB3' ' OE2' ' A' ' 72' ' ' GLU . 3.8 m -127.38 153.69 45.92 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.199 -0.938 . . . . 0.0 109.571 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -92.83 -178.0 4.7 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.25 -0.906 . . . . 0.0 109.122 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.611 ' CD2' HG22 ' B' ' 82' ' ' THR . 41.5 p90 -83.58 -28.04 28.83 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.19 -0.943 . . . . 0.0 109.962 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.61 ' HG3' ' CE2' ' A' ' 70' ' ' PHE . 3.9 mt-30 -80.12 -22.24 42.34 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.157 -0.964 . . . . 0.0 109.673 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.545 ' HG3' ' N ' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -80.41 -37.79 31.45 Favored 'General case' 0 C--N 1.307 -1.282 0 O-C-N 121.004 -1.06 . . . . 0.0 109.264 -179.738 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.791 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -78.85 -26.48 44.06 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 179.394 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.799 ' SD ' HD22 ' A' ' 10' ' ' LEU . 3.9 mmm -76.85 -45.72 27.31 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.494 ' O ' ' HG2' ' A' ' 79' ' ' MET . . . -70.66 -22.2 62.52 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 179.272 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.656 ' O ' HG22 ' A' ' 80' ' ' VAL . 1.5 m-85 -78.93 -36.87 41.11 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 179.487 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.954 HG12 ' HE2' ' B' ' 7' ' ' MET . 53.9 t -64.23 -26.09 39.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.579 -0.701 . . . . 0.0 109.498 179.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 79' ' ' MET . 0.1 OUTLIER -79.52 -66.14 0.91 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.331 -0.856 . . . . 0.0 110.324 -179.374 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.595 ' O ' HG11 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -43.52 -32.36 0.9 Allowed 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.168 -0.958 . . . . 0.0 110.241 -178.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.906 ' CG1' HG21 ' A' ' 56' ' ' VAL . 29.8 m -80.16 -46.04 22.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 120.991 -1.068 . . . . 0.0 110.14 -179.456 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.812 HG21 ' CG ' ' B' ' 7' ' ' MET . 0.6 OUTLIER -78.03 2.52 17.5 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.922 -1.111 . . . . 0.0 109.233 179.512 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.603 HG22 ' CD2' ' B' ' 70' ' ' PHE . 0.2 OUTLIER -135.94 5.77 3.1 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.332 -0.855 . . . . 0.0 109.464 -179.909 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.439 ' O ' ' HG3' ' A' ' 49' ' ' GLU . . . . . . . . 0 N--CA 1.491 1.6 0 O-C-N 121.251 -0.906 . . . . 0.0 109.419 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . 0.513 ' CB ' ' OE1' ' A' ' 39' ' ' GLU . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.809 ' HB3' HG22 ' A' ' 13' ' ' VAL . 4.0 tp10 -78.53 -60.9 2.19 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.402 -0.811 . . . . 0.0 109.782 -179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.892 HD23 ' HB2' ' A' ' 39' ' ' GLU . 4.0 tp -62.6 -53.92 47.42 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.418 -0.801 . . . . 0.0 110.039 -179.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.527 ' O ' ' CG2' ' B' ' 8' ' ' VAL . 2.6 tm-20 -48.21 -35.94 12.81 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 121.095 -1.003 . . . . 0.0 110.349 -178.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.546 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 0.0 OUTLIER -80.18 -33.39 38.37 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.861 -1.149 . . . . 0.0 109.797 -179.697 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.588 ' CB ' ' HB3' ' A' ' 9' ' ' ALA . . . -80.8 -67.78 0.74 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.357 -0.839 . . . . 0.0 110.0 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . 0.954 ' HE2' HG12 ' A' ' 77' ' ' VAL . 7.0 tpp -46.17 -51.58 13.88 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.309 -0.869 . . . . 0.0 109.8 -179.555 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.527 ' CG2' ' O ' ' B' ' 4' ' ' GLU . 21.5 t -63.92 -31.91 55.07 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.601 0 O-C-N 121.365 -0.835 . . . . 0.0 109.821 -179.301 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.593 ' HB3' ' CB ' ' A' ' 6' ' ' ALA . . . -65.31 -34.47 78.41 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.133 -0.98 . . . . 0.0 109.462 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.788 HD22 ' SD ' ' B' ' 74' ' ' MET . 0.6 OUTLIER -63.21 -62.52 1.64 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.445 -0.785 . . . . 0.0 109.095 179.816 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.608 HD11 ' O ' ' A' ' 81' ' ' THR . 53.7 mt -46.1 -28.57 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.434 0 O-C-N 121.359 -0.838 . . . . 0.0 108.761 179.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' B' ' 13' ' ' VAL . 15.4 t0 -62.65 -51.84 65.69 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.357 -0.839 . . . . 0.0 109.082 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . 0.836 HG22 ' HB3' ' A' ' 2' ' ' GLU . 36.3 t -45.51 -34.36 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.283 -0.886 . . . . 0.0 109.043 179.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.615 ' CD1' ' CE1' ' B' ' 73' ' ' PHE . 15.3 t80 -62.15 -49.84 74.27 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.349 -0.845 . . . . 0.0 109.178 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . 0.525 ' CG ' ' O ' ' B' ' 15' ' ' HIS . 4.1 t-80 -75.61 -5.04 43.44 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.271 -0.893 . . . . 0.0 109.15 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.487 ' HB2' ' HA ' ' B' ' 13' ' ' VAL . 0.5 OUTLIER -73.98 -37.65 64.39 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.214 -0.929 . . . . 0.0 109.775 -179.727 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.53 ' OH ' ' CD2' ' B' ' 35' ' ' LEU . 8.7 p90 -159.57 32.97 0.19 Allowed 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.302 -0.874 . . . . 0.0 109.239 -179.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . 0.54 ' HA ' ' CD1' ' B' ' 27' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.553 0 O-C-N 121.449 -0.782 . . . . 0.0 109.399 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 25.8 m-70 . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 121.257 0.551 . . . . 0.0 110.106 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -122.64 125.79 46.33 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.245 -0.909 . . . . 0.0 109.376 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.54 ' CD1' ' HA ' ' B' ' 18' ' ' SER . 1.6 tp -96.87 -158.25 0.65 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.215 -0.928 . . . . 0.0 109.53 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -150.45 -173.15 4.37 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.11 -0.994 . . . . 0.0 109.767 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.47 ' HG3' ' CB ' ' B' ' 63' ' ' ASP . 14.5 mmtt -80.82 -29.4 35.95 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.14 -0.975 . . . . 0.0 109.705 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 29.8 p -80.63 -36.48 32.54 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.124 -0.985 . . . . 0.0 109.536 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.476 ' O ' ' HB2' ' B' ' 35' ' ' LEU . 2.5 tt0 -80.57 -24.84 38.93 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.076 -1.015 . . . . 0.0 108.769 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.783 HD13 ' HB2' ' B' ' 73' ' ' PHE . 50.8 tp -80.35 -42.23 23.29 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 179.16 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.521 ' HA ' HD13 ' B' ' 60' ' ' LEU . 0.4 OUTLIER -60.57 -35.68 76.66 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 179.3 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.579 ' O ' ' CB ' ' B' ' 38' ' ' ASN . 0.0 OUTLIER -80.34 -32.44 37.86 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 179.206 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.553 ' N ' ' HG3' ' B' ' 34' ' ' GLU . 0.1 OUTLIER -53.56 -48.47 69.11 Favored 'General case' 0 C--N 1.297 -1.682 0 CA-C-O 121.735 0.778 . . . . 0.0 108.906 179.335 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.723 ' HA ' HD23 ' B' ' 40' ' ' LEU . 0.3 OUTLIER -80.45 -54.35 10.83 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 O-C-N 121.567 -0.708 . . . . 0.0 110.507 -179.246 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -70.52 -0.65 8.91 Favored 'General case' 0 C--N 1.294 -1.841 0 O-C-N 120.72 -1.238 . . . . 0.0 111.946 -177.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.579 ' CB ' ' O ' ' B' ' 34' ' ' GLU . 2.0 t30 -102.94 -33.02 9.46 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.558 -1.339 . . . . 0.0 110.478 -179.666 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.9 ' HB2' HD23 ' A' ' 3' ' ' LEU . 3.7 mm-40 -114.57 -26.15 8.03 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.894 -1.129 . . . . 0.0 110.586 -179.015 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.723 HD23 ' HA ' ' B' ' 36' ' ' ILE . 1.2 mm? -79.42 -52.85 7.53 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 -179.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.446 ' C ' ' O ' ' B' ' 40' ' ' LEU . 26.8 t -39.2 97.18 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 CA-C-O 121.284 0.564 . . . . 0.0 109.9 179.627 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . 0.458 ' N ' ' O ' ' B' ' 40' ' ' LEU . 8.2 t60 -179.58 -34.03 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.406 -0.809 . . . . 0.0 109.105 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -116.68 25.1 10.81 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.369 -0.832 . . . . 0.0 108.99 179.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.448 ' HG ' HD11 ' B' ' 47' ' ' ILE . 8.0 mp -97.7 115.56 28.2 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.406 -0.809 . . . . 0.0 109.539 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -125.89 -75.11 0.59 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.33 -0.856 . . . . 0.0 109.413 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . 0.406 ' O ' ' HB ' ' B' ' 47' ' ' ILE . 7.5 mt-10 -90.69 -45.66 8.73 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.379 -0.826 . . . . 0.0 109.483 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.448 HD11 ' HG ' ' B' ' 44' ' ' LEU . 10.1 mm 66.39 82.28 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.23 -0.919 . . . . 0.0 109.433 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.4 -34.04 72.07 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.238 -0.914 . . . . 0.0 109.57 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.932 ' OE1' HG23 ' B' ' 52' ' ' VAL . 13.6 mm-40 -85.9 61.62 6.96 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.077 -1.014 . . . . 0.0 109.235 179.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . 0.474 ' O ' ' HB2' ' B' ' 54' ' ' ASP . 6.8 tt0 -55.84 -24.63 37.67 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.182 -0.949 . . . . 0.0 109.434 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.483 ' O ' ' HB2' ' B' ' 55' ' ' LYS . 1.8 mt-10 -76.96 -32.4 57.26 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.236 -0.915 . . . . 0.0 109.708 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.932 HG23 ' OE1' ' B' ' 49' ' ' GLU . 79.0 t -69.47 -50.0 54.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.214 -0.929 . . . . 0.0 109.882 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 72.7 t -75.16 -30.43 23.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.074 -1.017 . . . . 0.0 109.45 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . 0.474 ' HB2' ' O ' ' B' ' 50' ' ' GLN . 1.8 m-20 -79.93 -18.17 51.18 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.288 -0.883 . . . . 0.0 108.681 179.318 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . 0.483 ' HB2' ' O ' ' B' ' 51' ' ' GLU . 7.4 tmtt? -78.4 -45.74 21.6 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.348 -0.845 . . . . 0.0 109.139 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.916 HG21 ' CG1' ' B' ' 80' ' ' VAL . 4.3 m -76.28 -38.61 33.73 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.364 0 O-C-N 121.155 -0.966 . . . . 0.0 108.887 179.445 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 47.4 tpp -69.03 -23.7 64.1 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 179.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . 0.45 ' HB2' ' O ' ' B' ' 54' ' ' ASP . 10.1 mt-10 -74.09 -56.95 4.31 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.44 -0.787 . . . . 0.0 109.092 179.559 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.3 m -60.24 -26.81 66.72 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.132 -0.98 . . . . 0.0 108.399 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.521 HD13 ' HA ' ' B' ' 33' ' ' LYS . 10.5 mt -67.57 -53.59 27.01 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.631 -0.668 . . . . 0.0 109.486 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.94 -5.49 51.31 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.494 -0.754 . . . . 0.0 109.724 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -73.5 -57.69 3.83 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.2 -0.938 . . . . 0.0 109.618 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.47 ' CB ' ' HG3' ' B' ' 29' ' ' LYS . 0.8 OUTLIER -79.31 -64.17 1.25 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.358 -0.839 . . . . 0.0 109.489 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . 0.45 ' O ' ' HB2' ' B' ' 29' ' ' LYS . . . 93.31 -51.83 2.44 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.549 -1.421 . . . . 0.0 109.549 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -125.53 31.92 5.44 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.354 -1.086 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.82 162.89 30.46 Favored Glycine 0 N--CA 1.489 2.183 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -89.28 148.27 23.66 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.363 -1.081 . . . . 0.0 109.509 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.481 ' HB3' ' OE2' ' B' ' 72' ' ' GLU . 3.8 m -127.34 153.74 45.82 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.165 -0.959 . . . . 0.0 109.556 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -92.83 -177.97 4.69 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.351 -0.843 . . . . 0.0 109.089 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.603 ' CD2' HG22 ' A' ' 82' ' ' THR . 41.7 p90 -83.71 -28.05 28.55 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.08 -1.013 . . . . 0.0 109.805 -179.59 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.602 ' HG3' ' CE2' ' B' ' 70' ' ' PHE . 3.9 mt-30 -80.09 -22.14 42.55 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.048 -1.033 . . . . 0.0 109.705 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.55 ' HG3' ' N ' ' B' ' 73' ' ' PHE . 0.0 OUTLIER -80.47 -37.87 31.03 Favored 'General case' 0 C--N 1.306 -1.29 0 O-C-N 120.946 -1.096 . . . . 0.0 109.263 -179.755 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.79 ' O ' HG23 ' B' ' 77' ' ' VAL . 0.0 OUTLIER -78.78 -26.55 44.44 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 179.4 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.788 ' SD ' HD22 ' B' ' 10' ' ' LEU . 3.9 mmm -76.82 -45.76 27.39 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.59 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.497 ' O ' ' HG2' ' B' ' 79' ' ' MET . . . -70.62 -22.2 62.55 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 179.321 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.65 ' O ' HG22 ' B' ' 80' ' ' VAL . 1.5 m-85 -78.92 -36.95 41.06 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 179.493 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.995 HG12 ' HE2' ' A' ' 7' ' ' MET . 54.0 t -64.14 -26.13 39.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.633 -0.667 . . . . 0.0 109.418 179.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . 0.402 ' HA ' ' HE3' ' A' ' 7' ' ' MET . 0.1 OUTLIER -79.58 -66.11 0.92 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.198 -0.939 . . . . 0.0 110.399 -179.376 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . 0.594 ' O ' HG11 ' B' ' 52' ' ' VAL . 0.0 OUTLIER -43.55 -32.22 0.88 Allowed 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.191 -0.943 . . . . 0.0 110.262 -178.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.916 ' CG1' HG21 ' B' ' 56' ' ' VAL . 29.9 m -80.16 -46.17 22.09 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.04 -1.037 . . . . 0.0 110.134 -179.46 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.814 HG21 ' CG ' ' A' ' 7' ' ' MET . 0.6 OUTLIER -77.93 2.35 17.72 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.108 -0.995 . . . . 0.0 109.132 179.554 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.611 HG22 ' CD2' ' A' ' 70' ' ' PHE . 0.2 OUTLIER -135.86 5.86 3.12 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.31 -0.869 . . . . 0.0 109.462 -179.85 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.445 ' O ' ' HG3' ' B' ' 49' ' ' GLU . . . . . . . . 0 N--CA 1.49 1.532 0 O-C-N 121.265 -0.897 . . . . 0.0 109.52 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.489 1.514 0 CA-C-O 121.333 0.587 . . . . 0.0 109.479 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.572 ' HB3' ' CG2' ' B' ' 13' ' ' VAL . 1.3 tp10 -79.62 -29.79 41.18 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.239 -0.913 . . . . 0.0 109.74 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.837 HD13 HG11 ' B' ' 13' ' ' VAL . 5.3 tp -73.99 -42.01 61.06 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.199 -0.938 . . . . 0.0 109.841 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.628 ' O ' HG23 ' A' ' 8' ' ' VAL . 2.3 tm-20 -73.09 -51.64 17.27 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.294 -0.879 . . . . 0.0 110.046 -179.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.661 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -66.43 -31.15 71.73 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.035 -1.041 . . . . 0.0 110.37 -179.416 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.53 ' CB ' ' O ' ' A' ' 2' ' ' GLU . . . -80.31 -63.25 1.45 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.084 -1.01 . . . . 0.0 110.365 -179.318 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.539 ' CG ' HG21 ' B' ' 81' ' ' THR . 14.3 tpp -53.49 -52.66 58.84 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.153 -0.967 . . . . 0.0 109.819 -179.283 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 4' ' ' GLU . 10.8 t -61.8 -28.08 43.52 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.597 0 O-C-N 121.262 -0.899 . . . . 0.0 109.464 -179.499 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.661 ' HB2' ' O ' ' A' ' 5' ' ' LYS . . . -65.96 -39.1 90.12 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.142 -0.974 . . . . 0.0 108.921 179.339 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.739 HD22 ' HE2' ' A' ' 74' ' ' MET . 0.1 OUTLIER -59.53 -28.36 67.02 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.344 -0.847 . . . . 0.0 109.017 179.783 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.527 ' CD1' ' N ' ' A' ' 11' ' ' ILE . 1.3 mp -70.88 -31.8 46.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 179.167 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.462 ' HB3' ' HG2' ' B' ' 2' ' ' GLU . 10.8 t70 -64.35 -57.89 8.04 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.479 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.863 HG11 HD13 ' B' ' 3' ' ' LEU . 0.5 OUTLIER -55.95 -56.83 10.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 179.417 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.649 ' N ' HG12 ' A' ' 13' ' ' VAL . 40.0 t80 -43.1 -34.42 1.06 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.592 -0.692 . . . . 0.0 109.951 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 26.2 t-80 -73.7 -49.07 27.51 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.114 -0.992 . . . . 0.0 109.319 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.79 -34.83 41.62 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.444 -0.785 . . . . 0.0 109.396 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.631 ' CD2' HD21 ' A' ' 35' ' ' LEU . 51.6 m-85 -81.84 -35.08 29.77 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.441 -0.787 . . . . 0.0 109.78 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.492 1.628 0 O-C-N 121.236 -0.915 . . . . 0.0 109.602 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 2.6 m80 . . . . . 0 N--CA 1.491 1.625 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.491 ' O ' ' CD ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -143.77 122.88 12.89 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.128 -0.983 . . . . 0.0 109.656 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.7 mt -98.31 -161.37 0.87 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.227 -0.921 . . . . 0.0 109.222 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.463 ' O ' ' CB ' ' A' ' 32' ' ' LEU . 33.4 mtpt -141.96 -174.5 4.1 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.125 -0.984 . . . . 0.0 109.458 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.5 mmtp -89.19 -25.76 21.61 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.164 -0.96 . . . . 0.0 109.308 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 29.3 p -80.4 -46.04 16.67 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.331 -0.856 . . . . 0.0 109.472 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.465 ' O ' ' HB2' ' A' ' 35' ' ' LEU . 14.1 tt0 -74.81 -22.94 58.44 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 179.554 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.662 HD13 ' HD1' ' A' ' 73' ' ' PHE . 16.6 tp -77.62 -44.21 29.03 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 178.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.704 ' HG3' HD13 ' A' ' 60' ' ' LEU . 38.9 tttm -57.08 -41.67 79.24 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 179.159 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.545 ' HG3' ' N ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -74.77 -32.9 62.18 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 179.484 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.848 ' CD1' HD22 ' B' ' 3' ' ' LEU . 0.1 OUTLIER -56.24 -42.89 78.07 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-O 121.245 0.545 . . . . 0.0 109.738 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.957 ' CG2' HG21 ' A' ' 80' ' ' VAL . 0.3 OUTLIER -81.16 -48.98 18.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.357 -0.839 . . . . 0.0 110.46 -179.37 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.485 ' HA ' ' HB2' ' A' ' 41' ' ' SER . 50.5 t-20 -77.33 0.5 22.06 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.959 -1.088 . . . . 0.0 111.384 -178.329 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.528 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 10.1 t30 -113.35 -72.74 0.69 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.746 -1.222 . . . . 0.0 110.194 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.525 ' HB3' ' HB3' ' B' ' 3' ' ' LEU . 87.7 mt-10 -85.14 12.5 7.73 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.112 -0.993 . . . . 0.0 109.848 -179.444 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.662 HD23 HD23 ' B' ' 3' ' ' LEU . 0.2 OUTLIER -128.73 -32.31 2.13 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.315 -0.866 . . . . 0.0 109.318 179.845 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.485 ' HB2' ' HA ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -71.74 81.54 0.87 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.357 -0.839 . . . . 0.0 109.67 179.703 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -124.88 -12.55 7.04 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.157 -0.964 . . . . 0.0 109.284 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.813 ' HZ ' HG23 ' A' ' 81' ' ' THR . 5.0 p90 -138.53 27.81 2.49 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.242 -0.911 . . . . 0.0 109.06 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.796 HD21 HD11 ' A' ' 47' ' ' ILE . 1.5 tt -99.24 145.01 27.7 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.355 -0.84 . . . . 0.0 109.536 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -170.72 -33.71 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.275 -0.891 . . . . 0.0 109.783 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.463 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 0.2 OUTLIER -125.71 -37.49 2.31 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.134 -0.979 . . . . 0.0 108.711 179.825 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.796 HD11 HD21 ' A' ' 44' ' ' LEU . 66.9 mt 64.0 112.27 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.155 -0.965 . . . . 0.0 109.415 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -89.71 -44.86 9.73 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.197 -0.939 . . . . 0.0 109.477 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.558 ' OE1' HG23 ' A' ' 52' ' ' VAL . 12.3 mm-40 -79.46 77.66 6.01 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.065 -1.022 . . . . 0.0 109.311 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.544 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 6.4 tt0 -60.72 -22.63 64.18 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.259 -0.9 . . . . 0.0 109.544 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.469 ' O ' ' HE2' ' A' ' 55' ' ' LYS . 3.9 mt-10 -80.15 -36.18 35.51 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.26 -0.9 . . . . 0.0 109.955 -179.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.558 HG23 ' OE1' ' A' ' 49' ' ' GLU . 90.9 t -72.76 -43.9 60.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.189 -0.944 . . . . 0.0 109.83 -179.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.653 HG23 ' HB1' ' A' ' 83' ' ' ALA . 45.7 t -77.27 -26.32 15.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.138 -0.976 . . . . 0.0 109.13 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.544 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 15.2 t70 -77.73 -27.64 50.61 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.319 -0.863 . . . . 0.0 109.516 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.546 ' HG3' ' N ' ' A' ' 56' ' ' VAL . 1.6 ptpt -80.44 -44.8 18.67 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.071 -1.018 . . . . 0.0 109.768 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.6 HG21 ' CG1' ' A' ' 80' ' ' VAL . 35.5 m -73.79 -46.25 47.6 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.306 0 O-C-N 120.969 -1.082 . . . . 0.0 108.59 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.576 ' N ' HG23 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -62.97 -25.11 68.22 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 179.128 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.478 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 17.3 mt-10 -75.06 -56.66 4.52 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.303 -0.873 . . . . 0.0 108.867 179.509 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -56.42 -26.26 52.89 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 179.127 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.704 HD13 ' HG3' ' A' ' 33' ' ' LYS . 11.0 mt -68.71 -57.12 6.12 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.7 1.57 29.59 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.441 -0.787 . . . . 0.0 109.781 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -80.36 -51.68 8.58 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.172 -0.955 . . . . 0.0 109.792 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.76 -60.38 1.83 Allowed 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.321 -0.862 . . . . 0.0 109.603 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.07 -53.04 4.61 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.454 -1.459 . . . . 0.0 109.454 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -108.42 32.8 4.55 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.203 -1.175 . . . . 0.0 109.425 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.95 -179.57 44.42 Favored Glycine 0 N--CA 1.488 2.158 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.43 ' HA ' ' HA ' ' A' ' 28' ' ' LYS . 0.8 OUTLIER -122.62 129.47 51.91 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.186 -1.185 . . . . 0.0 109.594 -179.88 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.616 ' SG ' HD22 ' A' ' 32' ' ' LEU . 1.3 m -97.04 153.15 18.1 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.283 -0.886 . . . . 0.0 109.242 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -89.83 -161.82 0.82 Allowed 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.288 -0.883 . . . . 0.0 109.249 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -91.72 -44.97 8.69 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.074 -1.016 . . . . 0.0 109.116 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.865 ' HB3' HG21 ' B' ' 82' ' ' THR . 0.0 OUTLIER -75.53 -20.67 58.55 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.246 -0.909 . . . . 0.0 109.012 179.567 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.497 ' N ' ' HG3' ' A' ' 71' ' ' GLN . 0.7 OUTLIER -76.78 -55.89 5.09 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.431 -0.793 . . . . 0.0 109.162 179.729 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.662 ' HD1' HD13 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -60.78 -22.3 63.96 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.256 -0.902 . . . . 0.0 108.97 179.618 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.739 ' HE2' HD22 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -79.06 -51.55 9.42 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.334 -0.854 . . . . 0.0 109.734 -179.789 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.485 ' O ' ' HG3' ' A' ' 79' ' ' MET . . . -69.07 -14.54 63.08 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.355 -0.841 . . . . 0.0 109.184 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.453 ' O ' HG22 ' A' ' 80' ' ' VAL . 0.1 OUTLIER -79.9 -33.91 39.5 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.364 -0.835 . . . . 0.0 109.368 179.817 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.625 HG13 ' HG ' ' A' ' 40' ' ' LEU . 59.4 t -74.7 -26.85 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.38 -0.825 . . . . 0.0 109.552 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 52.9 m -77.66 -37.78 49.11 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.216 -0.928 . . . . 0.0 110.642 -179.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.485 ' HG3' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -66.86 -33.73 76.25 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.982 -1.074 . . . . 0.0 110.503 -179.047 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.957 HG21 ' CG2' ' A' ' 36' ' ' ILE . 6.7 m -80.32 -39.26 18.81 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 120.974 -1.078 . . . . 0.0 109.895 -179.494 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.813 HG23 ' HZ ' ' A' ' 43' ' ' PHE . 3.1 m -62.03 -15.47 44.68 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.007 -1.058 . . . . 0.0 108.65 179.195 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.904 HG21 ' HB3' ' B' ' 71' ' ' GLN . 87.3 m -103.91 -15.65 15.59 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.568 -0.707 . . . . 0.0 109.386 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.653 ' HB1' HG23 ' A' ' 53' ' ' VAL . . . . . . . . 0 N--CA 1.489 1.483 0 O-C-N 121.391 -0.818 . . . . 0.0 109.822 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 121.32 0.581 . . . . 0.0 109.463 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.556 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 1.3 tp10 -79.65 -29.82 41.05 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.257 -0.902 . . . . 0.0 109.743 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.863 HD13 HG11 ' A' ' 13' ' ' VAL . 5.3 tp -74.05 -41.73 61.32 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.283 -0.885 . . . . 0.0 109.755 -179.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.632 ' O ' HG23 ' B' ' 8' ' ' VAL . 2.3 tm-20 -73.32 -51.53 17.17 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.245 -0.91 . . . . 0.0 110.01 -179.369 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.654 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 0.0 OUTLIER -66.62 -31.11 71.59 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.073 -1.017 . . . . 0.0 110.224 -179.315 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.539 ' CB ' ' HB3' ' A' ' 9' ' ' ALA . . . -80.33 -63.29 1.44 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.188 -0.945 . . . . 0.0 110.348 -179.237 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . 0.51 ' CG ' HG21 ' A' ' 81' ' ' THR . 14.4 tpp -53.46 -52.72 58.59 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.252 -0.905 . . . . 0.0 109.829 -179.291 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.632 HG23 ' O ' ' B' ' 4' ' ' GLU . 10.7 t -61.64 -28.21 43.66 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.534 0 O-C-N 121.238 -0.914 . . . . 0.0 109.489 -179.629 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.654 ' HB2' ' O ' ' B' ' 5' ' ' LYS . . . -65.93 -39.16 90.26 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.212 -0.93 . . . . 0.0 108.991 179.368 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.694 HD22 ' HE2' ' B' ' 74' ' ' MET . 0.1 OUTLIER -59.38 -28.43 66.88 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.349 -0.844 . . . . 0.0 108.923 179.811 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.517 ' CD1' ' N ' ' B' ' 11' ' ' ILE . 1.2 mp -70.81 -31.93 47.31 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 179.177 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.428 ' HB3' ' HG2' ' A' ' 2' ' ' GLU . 10.8 t70 -64.38 -57.77 8.38 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.458 -0.776 . . . . 0.0 108.977 179.46 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . 0.837 HG11 HD13 ' A' ' 3' ' ' LEU . 0.5 OUTLIER -56.0 -56.9 10.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 179.397 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.646 ' N ' HG12 ' B' ' 13' ' ' VAL . 40.0 t80 -43.12 -34.36 1.06 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.592 -0.693 . . . . 0.0 109.867 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 26.1 t-80 -73.79 -49.02 27.3 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.191 -0.943 . . . . 0.0 109.398 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.77 -34.88 41.61 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.452 -0.78 . . . . 0.0 109.518 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.627 ' CE2' HD21 ' B' ' 35' ' ' LEU . 51.5 m-85 -81.81 -35.16 29.79 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.456 -0.777 . . . . 0.0 109.7 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.52 0 O-C-N 121.331 -0.856 . . . . 0.0 109.662 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 2.5 m80 . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.484 ' O ' ' CD ' ' B' ' 26' ' ' LYS . 0.0 OUTLIER -143.77 122.92 12.91 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.226 -0.921 . . . . 0.0 109.727 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.8 mt -98.34 -161.54 0.88 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.359 -0.838 . . . . 0.0 109.28 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.466 ' O ' ' CB ' ' B' ' 32' ' ' LEU . 33.6 mtpt -141.81 -174.4 4.06 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.166 -0.959 . . . . 0.0 109.587 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 2.5 mmtp -89.29 -25.72 21.53 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.035 -1.041 . . . . 0.0 109.248 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 29.1 p -80.58 -46.0 16.44 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.284 -0.885 . . . . 0.0 109.45 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.465 ' O ' ' HB2' ' B' ' 35' ' ' LEU . 14.0 tt0 -74.89 -22.95 58.34 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.53 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.662 HD13 ' HD1' ' B' ' 73' ' ' PHE . 16.8 tp -77.55 -44.23 29.25 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 178.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.701 ' HG3' HD13 ' B' ' 60' ' ' LEU . 38.8 tttm -57.19 -41.67 79.8 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 179.173 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.548 ' HG3' ' N ' ' B' ' 35' ' ' LEU . 0.0 OUTLIER -74.76 -32.92 62.2 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.596 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.835 ' CD1' HD22 ' A' ' 3' ' ' LEU . 0.1 OUTLIER -56.4 -42.86 78.66 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.818 -0.552 . . . . 0.0 109.623 -179.907 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.96 ' CG2' HG21 ' B' ' 80' ' ' VAL . 0.3 OUTLIER -81.07 -48.99 18.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.387 -0.821 . . . . 0.0 110.542 -179.425 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.474 ' HA ' ' HB2' ' B' ' 41' ' ' SER . 50.3 t-20 -77.38 0.42 22.49 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.038 -1.039 . . . . 0.0 111.266 -178.317 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.537 ' CB ' ' O ' ' B' ' 34' ' ' GLU . 10.0 t30 -113.26 -72.93 0.68 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.636 -1.29 . . . . 0.0 110.235 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.49 ' HB3' ' HB3' ' A' ' 3' ' ' LEU . 87.7 mt-10 -85.04 12.54 7.48 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.162 -0.962 . . . . 0.0 109.856 -179.443 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.697 HD23 ' CD2' ' A' ' 3' ' ' LEU . 0.2 OUTLIER -128.85 -32.32 2.11 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.231 -0.918 . . . . 0.0 109.227 179.868 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.474 ' HB2' ' HA ' ' B' ' 37' ' ' ASN . 0.2 OUTLIER -71.85 81.6 0.9 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.346 -0.846 . . . . 0.0 109.61 179.784 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 7.6 t-80 -124.83 -12.48 7.07 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.172 -0.955 . . . . 0.0 109.226 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . 0.813 ' HZ ' HG23 ' B' ' 81' ' ' THR . 5.0 p90 -138.55 27.8 2.49 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.228 -0.92 . . . . 0.0 109.066 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.8 HD21 HD11 ' B' ' 47' ' ' ILE . 1.5 tt -99.23 145.16 27.54 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.325 -0.86 . . . . 0.0 109.614 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -170.81 -33.87 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.329 -0.857 . . . . 0.0 109.819 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . 0.46 ' O ' ' HB ' ' B' ' 47' ' ' ILE . 0.3 OUTLIER -125.73 -37.49 2.31 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.133 -0.979 . . . . 0.0 108.707 179.896 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.8 HD11 HD21 ' B' ' 44' ' ' LEU . 67.2 mt 63.9 112.43 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.263 -0.898 . . . . 0.0 109.388 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -89.78 -44.86 9.69 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.155 -0.965 . . . . 0.0 109.459 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.563 ' OE1' HG23 ' B' ' 52' ' ' VAL . 12.3 mm-40 -79.44 77.67 5.99 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.199 -0.938 . . . . 0.0 109.324 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . 0.538 ' O ' ' CB ' ' B' ' 54' ' ' ASP . 6.4 tt0 -60.79 -22.56 64.24 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.307 -0.87 . . . . 0.0 109.577 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.477 ' O ' ' HE2' ' B' ' 55' ' ' LYS . 3.9 mt-10 -80.13 -36.19 35.63 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.292 -0.88 . . . . 0.0 109.938 -179.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.563 HG23 ' OE1' ' B' ' 49' ' ' GLU . 91.7 t -72.75 -43.91 60.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.053 -1.03 . . . . 0.0 109.847 -179.57 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.644 HG23 ' HB1' ' B' ' 83' ' ' ALA . 45.4 t -77.47 -26.08 15.18 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.51 0 O-C-N 121.083 -1.011 . . . . 0.0 109.179 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . 0.538 ' CB ' ' O ' ' B' ' 50' ' ' GLN . 15.1 t70 -77.82 -27.65 50.04 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.41 -0.806 . . . . 0.0 109.409 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . 0.539 ' HG3' ' N ' ' B' ' 56' ' ' VAL . 1.6 ptpt -80.38 -44.85 18.71 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.117 -0.989 . . . . 0.0 109.879 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.601 HG21 ' CG1' ' B' ' 80' ' ' VAL . 35.5 m -73.79 -46.19 47.77 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 O-C-N 120.79 -1.194 . . . . 0.0 108.651 179.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.584 ' N ' HG23 ' B' ' 56' ' ' VAL . 0.0 OUTLIER -62.99 -25.18 68.26 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.091 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . 0.471 ' CG ' ' O ' ' B' ' 54' ' ' ASP . 17.2 mt-10 -74.95 -56.58 4.61 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.298 -0.876 . . . . 0.0 108.847 179.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -56.62 -26.18 55.13 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 179.152 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.701 HD13 ' HG3' ' B' ' 33' ' ' LYS . 10.9 mt -68.72 -57.07 6.18 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.84 1.71 29.51 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.512 -0.742 . . . . 0.0 109.734 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -80.38 -51.65 8.6 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.208 -0.933 . . . . 0.0 109.717 -179.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.88 -60.34 1.83 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.338 -0.851 . . . . 0.0 109.663 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.17 -53.23 4.61 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -108.26 32.68 4.61 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.126 -1.22 . . . . 0.0 109.404 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.82 -179.58 44.6 Favored Glycine 0 N--CA 1.489 2.173 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.432 ' HA ' ' HA ' ' B' ' 28' ' ' LYS . 0.8 OUTLIER -122.58 129.61 52.11 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.231 -1.158 . . . . 0.0 109.589 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.618 ' SG ' HD22 ' B' ' 32' ' ' LEU . 1.3 m -97.15 153.21 18.12 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.348 -0.845 . . . . 0.0 109.246 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -89.86 -161.81 0.82 Allowed 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.277 -0.889 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -91.73 -45.01 8.66 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.234 -0.916 . . . . 0.0 109.013 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.904 ' HB3' HG21 ' A' ' 82' ' ' THR . 0.0 OUTLIER -75.54 -20.57 58.58 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.194 -0.941 . . . . 0.0 109.061 179.647 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.488 ' N ' ' HG3' ' B' ' 71' ' ' GLN . 0.7 OUTLIER -76.83 -55.82 5.14 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.48 -0.763 . . . . 0.0 109.23 179.658 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.662 ' HD1' HD13 ' B' ' 32' ' ' LEU . 0.1 OUTLIER -60.86 -22.31 64.12 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.319 -0.863 . . . . 0.0 108.891 179.602 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.694 ' HE2' HD22 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -79.1 -51.6 9.33 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.246 -0.909 . . . . 0.0 109.676 -179.772 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.471 ' O ' ' HG3' ' B' ' 79' ' ' MET . . . -68.98 -14.64 63.16 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.294 -0.879 . . . . 0.0 109.177 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.458 ' O ' HG22 ' B' ' 80' ' ' VAL . 0.1 OUTLIER -79.77 -34.02 40.13 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.433 -0.792 . . . . 0.0 109.408 179.866 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.623 HG13 ' HG ' ' B' ' 40' ' ' LEU . 59.0 t -74.61 -26.94 20.35 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.475 0 O-C-N 121.394 -0.816 . . . . 0.0 109.475 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . 0.441 ' HA ' ' CE ' ' A' ' 7' ' ' MET . 53.0 m -77.62 -37.99 48.97 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.289 -0.882 . . . . 0.0 110.623 -179.315 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . 0.471 ' HG3' ' O ' ' B' ' 75' ' ' ALA . 0.0 OUTLIER -66.7 -33.76 76.36 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.96 -1.087 . . . . 0.0 110.559 -179.097 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.96 HG21 ' CG2' ' B' ' 36' ' ' ILE . 6.6 m -80.2 -39.45 19.22 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 O-C-N 121.052 -1.03 . . . . 0.0 109.855 -179.453 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.813 HG23 ' HZ ' ' B' ' 43' ' ' PHE . 3.2 m -62.03 -15.45 44.5 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.107 -0.996 . . . . 0.0 108.526 179.336 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.865 HG21 ' HB3' ' A' ' 71' ' ' GLN . 87.0 m -103.93 -15.61 15.59 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.548 -0.72 . . . . 0.0 109.393 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.644 ' HB1' HG23 ' B' ' 53' ' ' VAL . . . . . . . . 0 N--CA 1.489 1.476 0 O-C-N 121.346 -0.846 . . . . 0.0 109.819 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . 0.415 ' O ' ' HB2' ' A' ' 5' ' ' LYS . 89.0 p . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 121.353 0.597 . . . . 0.0 109.425 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.706 ' HB3' HG22 ' B' ' 13' ' ' VAL . 1.0 OUTLIER -77.86 -67.19 0.75 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.297 -0.877 . . . . 0.0 109.721 -179.871 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.531 ' HB3' ' CB ' ' B' ' 39' ' ' GLU . 15.8 tp -56.86 -56.85 16.29 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.4 -0.812 . . . . 0.0 109.875 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.539 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 5.3 tm-20 -43.74 -33.5 1.28 Allowed 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.405 -0.809 . . . . 0.0 110.071 -179.129 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.528 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -80.78 -40.0 25.83 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.953 -1.092 . . . . 0.0 110.13 -179.671 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.538 ' CB ' ' HB3' ' B' ' 9' ' ' ALA . . . -79.79 -65.6 0.98 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.306 -0.871 . . . . 0.0 109.993 -179.323 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.831 ' SD ' HG12 ' B' ' 77' ' ' VAL . 8.1 tpt -45.6 -52.07 11.13 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.391 -0.818 . . . . 0.0 109.801 -179.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.539 ' CG2' ' O ' ' A' ' 4' ' ' GLU . 25.7 t -63.99 -39.17 84.47 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 O-C-N 121.384 -0.822 . . . . 0.0 109.928 -179.404 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.58 ' HB3' ' CB ' ' B' ' 6' ' ' ALA . . . -55.03 -39.76 69.48 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.122 -0.986 . . . . 0.0 109.489 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.656 HD22 ' CE ' ' A' ' 74' ' ' MET . 0.2 OUTLIER -58.28 -48.17 81.3 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.105 -0.997 . . . . 0.0 109.153 179.812 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.483 ' N ' HD12 ' A' ' 11' ' ' ILE . 1.8 mp -51.6 -31.6 12.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.14 -0.975 . . . . 0.0 108.63 179.398 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -60.93 -58.3 9.03 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.404 -0.81 . . . . 0.0 109.681 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.751 HG22 ' HB3' ' B' ' 2' ' ' GLU . 53.9 t -47.18 -41.3 6.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.447 -0.783 . . . . 0.0 109.932 -179.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.581 ' CE2' ' HA ' ' A' ' 70' ' ' PHE . 19.0 t80 -61.04 -54.43 44.88 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.12 -0.988 . . . . 0.0 110.116 -179.216 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -69.45 -4.94 20.72 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.123 -0.986 . . . . 0.0 109.859 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -91.05 -41.78 10.88 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.105 -0.997 . . . . 0.0 109.706 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.503 ' CE1' HD21 ' A' ' 35' ' ' LEU . 23.4 m-85 -78.4 -54.97 5.61 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.287 -0.883 . . . . 0.0 110.039 -179.536 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.866 ' HB2' HD12 ' A' ' 27' ' ' LEU . 3.2 t . . . . . 0 N--CA 1.492 1.672 0 O-C-N 121.12 -0.987 . . . . 0.0 109.871 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.6 ' O ' ' CG ' ' A' ' 25' ' ' HIS . 12.4 t60 . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 121.111 0.481 . . . . 0.0 110.293 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -150.33 146.57 26.82 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.619 -1.301 . . . . 0.0 109.983 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.866 HD12 ' HB2' ' A' ' 18' ' ' SER . 1.3 tp -128.38 -154.16 0.62 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.329 -0.857 . . . . 0.0 108.964 179.412 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.489 ' HG2' ' O ' ' A' ' 66' ' ' GLY . 8.5 mtpt -146.43 160.91 41.46 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.268 -0.895 . . . . 0.0 109.541 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.65 ' HB3' HD23 ' A' ' 60' ' ' LEU . 6.2 mtpp -76.7 -18.85 58.28 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.275 -0.89 . . . . 0.0 109.092 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.6 t -80.6 -45.29 17.56 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.397 -0.814 . . . . 0.0 109.014 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.472 ' O ' ' HB2' ' A' ' 35' ' ' LEU . 0.8 OUTLIER -78.46 -20.75 50.25 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.116 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 1.117 HD13 ' CD2' ' A' ' 73' ' ' PHE . 2.7 tp -78.26 -44.14 26.29 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 178.424 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 1.027 ' HB2' HD22 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -61.57 -43.21 99.27 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 178.32 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.432 ' O ' ' HB2' ' A' ' 38' ' ' ASN . 0.3 OUTLIER -68.61 -33.23 73.67 Favored 'General case' 0 C--N 1.296 -1.748 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 179.644 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.637 HD11 HG11 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -58.57 -40.1 82.17 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 179.416 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.758 HG21 HG21 ' A' ' 80' ' ' VAL . 0.5 OUTLIER -81.22 -59.15 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.419 -0.801 . . . . 0.0 110.429 -179.892 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -61.25 -3.78 0.99 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.229 -0.92 . . . . 0.0 111.597 -178.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.432 ' HB2' ' O ' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -111.57 -56.46 2.38 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.614 -1.304 . . . . 0.0 110.161 -179.543 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.524 ' CB ' ' HB3' ' B' ' 3' ' ' LEU . 0.8 OUTLIER -99.1 23.88 8.52 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.156 -0.965 . . . . 0.0 110.606 -178.898 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.688 HD22 HG22 ' A' ' 36' ' ' ILE . 1.0 OUTLIER -141.74 -50.72 0.41 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.795 -1.191 . . . . 0.0 109.862 179.427 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -46.64 -22.52 0.3 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.251 -0.906 . . . . 0.0 110.125 -179.908 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.453 ' C ' ' O ' ' A' ' 41' ' ' SER . 0.3 OUTLIER -37.16 -32.28 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.487 -0.758 . . . . 0.0 110.301 -179.698 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.574 ' O ' ' CG ' ' A' ' 43' ' ' PHE . 15.6 p90 -135.84 116.94 14.37 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.012 -1.055 . . . . 0.0 109.531 179.659 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.753 HD23 HD11 ' A' ' 47' ' ' ILE . 5.2 tp 173.19 -79.33 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.559 -0.713 . . . . 0.0 109.346 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 44' ' ' LEU . 5.0 mt-10 42.23 26.22 0.05 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.114 -0.991 . . . . 0.0 110.013 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 44' ' ' LEU . 1.7 mt-10 -143.25 -82.54 0.18 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.05 -1.031 . . . . 0.0 109.873 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.753 HD11 HD23 ' A' ' 44' ' ' LEU . 7.3 mt 58.62 105.64 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.18 -0.95 . . . . 0.0 109.265 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.4 tptp -106.62 -20.09 13.46 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.258 -0.901 . . . . 0.0 109.358 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.511 ' HB3' ' HB ' ' A' ' 52' ' ' VAL . 8.0 mm-40 -83.3 69.86 10.04 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.169 -0.957 . . . . 0.0 108.963 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.546 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 49.2 tt0 -49.04 -22.56 0.92 Allowed 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.21 -0.932 . . . . 0.0 109.74 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.2 -42.25 21.08 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.057 -1.027 . . . . 0.0 110.575 -179.396 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.678 ' O ' HG22 ' A' ' 56' ' ' VAL . 54.7 t -70.92 -40.38 76.34 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.058 -1.026 . . . . 0.0 110.122 -179.12 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.747 HG21 HG23 ' A' ' 47' ' ' ILE . 36.5 t -80.72 -28.62 11.52 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 O-C-N 121.089 -1.007 . . . . 0.0 109.727 -179.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.546 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 28.8 t70 -81.76 -21.55 37.75 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.036 -1.04 . . . . 0.0 108.791 179.528 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.43 ' HD3' ' C ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -75.42 -44.71 43.1 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.239 -0.913 . . . . 0.0 109.165 179.827 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.91 HG12 ' CZ ' ' A' ' 76' ' ' PHE . 2.2 m -80.31 -35.31 15.4 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 O-C-N 121.013 -1.054 . . . . 0.0 108.638 179.27 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.494 ' HB2' ' O ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -72.39 -24.87 61.32 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.432 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.538 ' CG ' ' O ' ' A' ' 54' ' ' ASP . 1.2 mm-40 -74.2 -51.38 15.65 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 119.456 -0.898 . . . . 0.0 109.01 179.507 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.546 HG22 ' CE ' ' A' ' 29' ' ' LYS . 4.9 m -65.53 -24.17 67.05 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.342 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 1.027 HD22 ' HB2' ' A' ' 33' ' ' LYS . 10.9 mt -70.05 -52.97 19.66 Favored 'General case' 0 C--N 1.304 -1.404 0 CA-C-O 121.478 0.656 . . . . 0.0 109.501 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.34 -11.44 59.9 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.523 -0.736 . . . . 0.0 109.739 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.452 ' O ' ' OD1' ' A' ' 63' ' ' ASP . 38.2 tt0 -72.78 -36.22 67.57 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.234 -0.916 . . . . 0.0 109.821 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.507 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 68.6 m-20 -156.93 55.36 0.53 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.219 -0.925 . . . . 0.0 109.582 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 63' ' ' ASP . . . -40.24 -27.82 0.15 Allowed Glycine 0 N--CA 1.494 2.519 0 N-CA-C 109.973 -1.251 . . . . 0.0 109.973 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 63' ' ' ASP . 11.8 t0 -91.87 40.91 1.05 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.147 -1.208 . . . . 0.0 109.444 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.489 ' O ' ' HG2' ' A' ' 28' ' ' LYS . . . -108.06 171.95 16.63 Favored Glycine 0 N--CA 1.487 2.085 0 N-CA-C 109.606 -1.398 . . . . 0.0 109.606 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -106.57 128.63 54.28 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.13 -1.218 . . . . 0.0 109.712 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 87.1 m -105.65 171.49 7.3 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.276 -0.89 . . . . 0.0 109.575 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.452 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 1.5 m-20 -108.53 -177.33 3.29 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.259 -0.901 . . . . 0.0 109.428 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.602 ' CE1' ' HG3' ' A' ' 71' ' ' GLN . 6.6 p90 -79.56 -35.0 40.46 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.124 -0.985 . . . . 0.0 109.214 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.602 ' HG3' ' CE1' ' A' ' 70' ' ' PHE . 1.1 mt-30 -78.58 -26.48 45.52 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.247 -0.908 . . . . 0.0 109.068 179.444 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.483 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -78.13 -50.91 11.09 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.313 -0.867 . . . . 0.0 108.979 179.786 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 1.117 ' CD2' HD13 ' A' ' 32' ' ' LEU . 5.2 t80 -62.17 -22.15 65.65 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.386 -0.821 . . . . 0.0 108.985 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.732 ' HG3' HG21 ' B' ' 82' ' ' THR . 0.0 OUTLIER -80.25 -55.45 4.9 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.301 -0.874 . . . . 0.0 109.801 -179.794 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.519 ' O ' ' HG3' ' A' ' 79' ' ' MET . . . -66.26 -16.56 64.12 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.34 -0.85 . . . . 0.0 109.087 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.91 ' CZ ' HG12 ' A' ' 56' ' ' VAL . 0.1 OUTLIER -77.17 -39.25 49.69 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.332 -0.855 . . . . 0.0 109.246 179.514 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.843 HG12 ' SD ' ' B' ' 7' ' ' MET . 84.1 t -70.67 -27.61 31.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.389 -0.819 . . . . 0.0 109.847 -179.64 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 77.5 p -77.05 -42.63 37.61 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.122 -0.987 . . . . 0.0 110.515 -179.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.551 ' HB3' HG13 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -57.73 -46.05 84.95 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.926 -1.109 . . . . 0.0 110.201 -179.555 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.758 HG21 HG21 ' A' ' 36' ' ' ILE . 25.5 m -70.45 -45.08 76.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 O-C-N 121.183 -0.948 . . . . 0.0 110.623 -179.007 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.696 HG21 ' HG3' ' B' ' 7' ' ' MET . 1.9 m -66.56 -8.61 28.0 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.801 -1.187 . . . . 0.0 109.624 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.751 HG21 ' HG3' ' B' ' 74' ' ' MET . 61.0 p -129.73 13.55 5.88 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.248 -0.907 . . . . 0.0 109.361 179.661 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.49 ' O ' ' HG3' ' A' ' 49' ' ' GLU . . . . . . . . 0 N--CA 1.49 1.532 0 O-C-N 121.265 -0.897 . . . . 0.0 109.235 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . 0.422 ' O ' ' HB2' ' B' ' 5' ' ' LYS . 89.1 p . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.751 ' HB3' HG22 ' A' ' 13' ' ' VAL . 1.0 OUTLIER -77.95 -67.26 0.75 Allowed 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.3 -0.875 . . . . 0.0 109.637 -179.863 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.524 ' HB3' ' CB ' ' A' ' 39' ' ' GLU . 15.8 tp -56.84 -56.84 16.47 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.272 -0.893 . . . . 0.0 109.851 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.532 ' O ' ' CG2' ' B' ' 8' ' ' VAL . 5.3 tm-20 -43.76 -33.54 1.3 Allowed 'General case' 0 C--N 1.297 -1.706 0 O-C-N 121.394 -0.816 . . . . 0.0 110.119 -179.125 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.53 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 0.0 OUTLIER -80.7 -39.99 26.17 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.986 -1.071 . . . . 0.0 110.203 -179.727 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.58 ' CB ' ' HB3' ' A' ' 9' ' ' ALA . . . -79.78 -65.66 0.97 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.158 -0.964 . . . . 0.0 110.02 -179.396 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . 0.843 ' SD ' HG12 ' A' ' 77' ' ' VAL . 8.1 tpt -45.56 -52.09 10.98 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.403 -0.811 . . . . 0.0 109.826 -179.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.532 ' CG2' ' O ' ' B' ' 4' ' ' GLU . 25.8 t -64.01 -39.13 84.33 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.548 0 O-C-N 121.349 -0.844 . . . . 0.0 109.915 -179.442 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.538 ' HB3' ' CB ' ' A' ' 6' ' ' ALA . . . -55.1 -39.75 69.68 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.154 -0.966 . . . . 0.0 109.43 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.651 HD22 ' CE ' ' B' ' 74' ' ' MET . 0.2 OUTLIER -58.22 -48.25 80.96 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.143 -0.973 . . . . 0.0 109.108 179.809 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.492 ' N ' HD12 ' B' ' 11' ' ' ILE . 1.8 mp -51.57 -31.75 12.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.215 -0.928 . . . . 0.0 108.544 179.419 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -60.84 -58.34 8.87 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.529 -0.732 . . . . 0.0 109.739 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . 0.706 HG22 ' HB3' ' A' ' 2' ' ' GLU . 53.6 t -47.1 -41.33 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.383 -0.823 . . . . 0.0 109.955 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.584 ' CE2' ' HA ' ' B' ' 70' ' ' PHE . 18.7 t80 -60.94 -54.49 44.33 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.157 -0.965 . . . . 0.0 110.147 -179.246 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -69.5 -4.84 20.53 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.182 -0.949 . . . . 0.0 109.959 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -91.08 -41.69 10.91 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.11 -0.993 . . . . 0.0 109.67 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.502 ' CE1' HD21 ' B' ' 35' ' ' LEU . 23.6 m-85 -78.48 -54.97 5.59 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.288 -0.882 . . . . 0.0 110.027 -179.504 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . 0.873 ' HB2' HD12 ' B' ' 27' ' ' LEU . 3.2 t . . . . . 0 N--CA 1.493 1.676 0 O-C-N 121.143 -0.973 . . . . 0.0 109.826 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . 0.602 ' O ' ' CG ' ' B' ' 25' ' ' HIS . 12.5 t60 . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 121.076 0.465 . . . . 0.0 110.283 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -150.47 146.5 26.67 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.648 -1.283 . . . . 0.0 109.957 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.873 HD12 ' HB2' ' B' ' 18' ' ' SER . 1.4 tp -128.29 -154.1 0.61 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.418 -0.801 . . . . 0.0 109.022 179.43 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.489 ' HG2' ' O ' ' B' ' 66' ' ' GLY . 8.6 mtpt -146.5 160.93 41.48 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.239 -0.913 . . . . 0.0 109.574 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.643 ' HB3' HD23 ' B' ' 60' ' ' LEU . 6.2 mtpp -76.76 -18.83 58.22 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.322 -0.861 . . . . 0.0 109.06 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.6 t -80.59 -45.39 17.42 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.365 -0.834 . . . . 0.0 108.986 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.465 ' O ' ' HB2' ' B' ' 35' ' ' LEU . 0.8 OUTLIER -78.42 -20.71 50.51 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 179.103 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 1.119 HD13 ' CD2' ' B' ' 73' ' ' PHE . 2.6 tp -78.33 -44.06 26.18 Favored 'General case' 0 N--CA 1.487 1.384 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 178.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 1.0 ' HB2' HD22 ' B' ' 60' ' ' LEU . 0.1 OUTLIER -61.67 -43.08 99.54 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 178.314 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.435 ' O ' ' HB2' ' B' ' 38' ' ' ASN . 0.3 OUTLIER -68.66 -33.31 73.77 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 179.585 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.642 HD11 HG11 ' B' ' 13' ' ' VAL . 0.1 OUTLIER -58.37 -40.19 81.62 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 179.304 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.769 HG21 HG21 ' B' ' 80' ' ' VAL . 0.5 OUTLIER -81.26 -59.24 3.0 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.445 -0.784 . . . . 0.0 110.351 -179.848 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -61.12 -3.81 0.94 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.183 -0.948 . . . . 0.0 111.695 -178.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.435 ' HB2' ' O ' ' B' ' 34' ' ' GLU . 0.2 OUTLIER -111.56 -56.5 2.37 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.666 -1.271 . . . . 0.0 110.182 -179.588 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.531 ' CB ' ' HB3' ' A' ' 3' ' ' LEU . 0.8 OUTLIER -99.02 23.83 8.52 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.093 -1.004 . . . . 0.0 110.659 -178.917 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.69 HD22 HG22 ' B' ' 36' ' ' ILE . 1.1 tt -141.72 -50.7 0.41 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.882 -1.136 . . . . 0.0 109.904 179.418 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.461 ' O ' ' C ' ' B' ' 42' ' ' HIS . 0.1 OUTLIER -46.53 -22.62 0.29 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.333 -0.854 . . . . 0.0 110.161 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . 0.461 ' C ' ' O ' ' B' ' 41' ' ' SER . 0.3 OUTLIER -37.12 -32.26 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.508 -0.745 . . . . 0.0 110.366 -179.672 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . 0.574 ' O ' ' CG ' ' B' ' 43' ' ' PHE . 15.5 p90 -135.8 116.92 14.4 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.036 -1.04 . . . . 0.0 109.535 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.756 HD23 HD11 ' B' ' 47' ' ' ILE . 5.1 tp 173.18 -79.29 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.451 -0.78 . . . . 0.0 109.477 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' B' ' 44' ' ' LEU . 5.0 mt-10 42.13 26.32 0.05 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.07 -1.019 . . . . 0.0 110.03 179.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' B' ' 44' ' ' LEU . 1.7 mt-10 -143.3 -82.59 0.17 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.9 -1.125 . . . . 0.0 109.841 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.756 HD11 HD23 ' B' ' 44' ' ' LEU . 7.3 mt 58.63 105.67 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.165 -0.959 . . . . 0.0 109.226 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 8.4 tptp -106.67 -20.14 13.45 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.215 -0.928 . . . . 0.0 109.412 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.512 ' HB3' ' HB ' ' B' ' 52' ' ' VAL . 8.0 mm-40 -83.14 69.77 9.95 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.193 -0.942 . . . . 0.0 108.989 179.563 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . 0.555 ' O ' ' CB ' ' B' ' 54' ' ' ASP . 49.2 tt0 -49.09 -22.54 0.95 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.314 -0.866 . . . . 0.0 109.718 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.17 -42.2 21.22 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.118 -0.989 . . . . 0.0 110.605 -179.426 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.693 ' O ' HG22 ' B' ' 56' ' ' VAL . 54.7 t -70.96 -40.35 76.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 120.981 -1.074 . . . . 0.0 110.159 -179.134 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.732 HG21 HG23 ' B' ' 47' ' ' ILE . 36.6 t -80.61 -28.67 11.66 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.509 0 O-C-N 121.096 -1.003 . . . . 0.0 109.755 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . 0.555 ' CB ' ' O ' ' B' ' 50' ' ' GLN . 28.8 t70 -81.78 -21.57 37.67 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 120.984 -1.073 . . . . 0.0 108.745 179.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . 0.437 ' C ' ' HD3' ' B' ' 55' ' ' LYS . 0.0 OUTLIER -75.37 -44.7 43.59 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.228 -0.92 . . . . 0.0 109.221 179.82 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.908 HG12 ' CZ ' ' B' ' 76' ' ' PHE . 2.2 m -80.3 -35.45 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 121.092 -1.005 . . . . 0.0 108.582 179.33 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.495 ' HB2' ' O ' ' B' ' 53' ' ' VAL . 0.0 OUTLIER -72.28 -24.98 61.42 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 179.452 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . 0.526 ' CG ' ' O ' ' B' ' 54' ' ' ASP . 1.2 mm-40 -74.08 -51.57 15.33 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.241 -0.912 . . . . 0.0 108.929 179.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . 0.554 HG22 ' CE ' ' B' ' 29' ' ' LYS . 4.9 m -65.44 -24.21 67.12 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 179.398 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 1.0 HD22 ' HB2' ' B' ' 33' ' ' LYS . 10.8 mt -70.02 -52.9 20.33 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-O 121.474 0.654 . . . . 0.0 109.5 179.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.39 -11.51 59.91 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.529 -0.732 . . . . 0.0 109.654 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.446 ' O ' ' OD1' ' B' ' 63' ' ' ASP . 38.2 tt0 -72.78 -36.23 67.59 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.29 -0.881 . . . . 0.0 109.732 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.507 ' O ' ' HD3' ' B' ' 29' ' ' LYS . 68.6 m-20 -156.88 55.38 0.53 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.215 -0.928 . . . . 0.0 109.616 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' B' ' 63' ' ' ASP . . . -40.34 -27.75 0.16 Allowed Glycine 0 N--CA 1.493 2.495 0 N-CA-C 109.928 -1.269 . . . . 0.0 109.928 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' B' ' 63' ' ' ASP . 11.9 t0 -91.82 40.84 1.05 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.205 -1.174 . . . . 0.0 109.444 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . 0.489 ' O ' ' HG2' ' B' ' 28' ' ' LYS . . . -108.09 171.9 16.56 Favored Glycine 0 N--CA 1.488 2.146 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -106.51 128.59 54.22 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.175 -1.191 . . . . 0.0 109.739 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 86.8 m -105.76 171.49 7.31 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.187 -0.946 . . . . 0.0 109.501 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' B' ' 69' ' ' ASP . 1.5 m-20 -108.54 -177.37 3.3 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.194 -0.941 . . . . 0.0 109.457 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.601 ' CE1' ' HG3' ' B' ' 71' ' ' GLN . 6.5 p90 -79.64 -34.93 40.1 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.017 -1.052 . . . . 0.0 109.195 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.601 ' HG3' ' CE1' ' B' ' 70' ' ' PHE . 1.1 mt-30 -78.63 -26.4 45.24 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.281 -0.887 . . . . 0.0 109.07 179.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.484 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 0.2 OUTLIER -78.19 -50.94 11.0 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.35 -0.844 . . . . 0.0 108.893 179.817 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 1.119 ' CD2' HD13 ' B' ' 32' ' ' LEU . 5.3 t80 -62.15 -22.2 65.67 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.305 -0.872 . . . . 0.0 108.886 179.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.751 ' HG3' HG21 ' A' ' 82' ' ' THR . 0.0 OUTLIER -80.27 -55.5 4.87 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.294 -0.879 . . . . 0.0 109.802 -179.723 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.519 ' O ' ' HG3' ' B' ' 79' ' ' MET . . . -66.26 -16.45 64.03 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.305 -0.872 . . . . 0.0 109.171 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.908 ' CZ ' HG12 ' B' ' 56' ' ' VAL . 0.1 OUTLIER -77.28 -39.18 49.02 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.386 -0.821 . . . . 0.0 109.262 179.495 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.831 HG12 ' SD ' ' A' ' 7' ' ' MET . 84.3 t -70.64 -27.66 31.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.325 -0.859 . . . . 0.0 109.863 -179.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 77.1 p -76.97 -42.69 37.97 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.989 -1.069 . . . . 0.0 110.596 -179.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . 0.552 ' HB3' HG13 ' B' ' 52' ' ' VAL . 0.0 OUTLIER -57.76 -46.09 85.02 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.876 -1.14 . . . . 0.0 110.115 -179.507 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.769 HG21 HG21 ' B' ' 36' ' ' ILE . 25.3 m -70.4 -44.97 76.85 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 O-C-N 121.222 -0.924 . . . . 0.0 110.675 -179.003 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.737 HG21 ' HG3' ' A' ' 7' ' ' MET . 1.9 m -66.63 -8.65 28.81 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.839 -1.163 . . . . 0.0 109.521 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.732 HG21 ' HG3' ' A' ' 74' ' ' MET . 59.9 p -129.74 13.6 5.88 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.142 -0.974 . . . . 0.0 109.326 179.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.479 ' O ' ' HG3' ' B' ' 49' ' ' GLU . . . . . . . . 0 N--CA 1.489 1.496 0 O-C-N 121.3 -0.875 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.7 p . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.892 ' HB2' HG22 ' B' ' 13' ' ' VAL . 32.3 mm-40 -69.26 -38.72 78.56 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.266 -0.896 . . . . 0.0 109.677 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.784 HD23 ' HG ' ' B' ' 40' ' ' LEU . 7.6 tp -80.15 -50.05 10.82 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.337 -0.852 . . . . 0.0 109.979 -179.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.551 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 61.6 tt0 -57.37 -41.97 81.2 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.04 -1.038 . . . . 0.0 109.938 -179.395 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.57 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 8.6 tptt -78.39 -38.7 41.08 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.846 -1.159 . . . . 0.0 109.735 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.601 ' CB ' ' HB3' ' B' ' 9' ' ' ALA . . . -80.12 -70.44 0.52 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.167 -0.958 . . . . 0.0 109.727 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.842 ' SD ' HG12 ' B' ' 77' ' ' VAL . 8.3 tpt -40.58 -48.31 2.85 Favored 'General case' 0 N--CA 1.491 1.587 0 CA-C-O 121.664 0.745 . . . . 0.0 109.914 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.551 ' CG2' ' O ' ' A' ' 4' ' ' GLU . 21.2 t -70.55 -38.41 73.42 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.587 0 O-C-N 121.446 -0.784 . . . . 0.0 109.855 -179.257 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.623 ' HB3' ' CB ' ' B' ' 6' ' ' ALA . . . -53.24 -44.36 68.05 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.003 -1.061 . . . . 0.0 108.874 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.801 HD22 ' CE ' ' A' ' 74' ' ' MET . 0.3 OUTLIER -54.31 -52.74 60.56 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 179.219 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 31.9 mm -49.7 -34.18 8.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 179.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -61.99 -45.47 93.5 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.549 -0.719 . . . . 0.0 109.3 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.876 HG22 ' HB2' ' B' ' 2' ' ' GLU . 53.3 t -46.84 -37.3 3.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.157 -0.964 . . . . 0.0 109.108 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 1.126 ' CZ ' HD23 ' A' ' 27' ' ' LEU . 2.1 t80 -62.67 -45.5 92.52 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.119 -0.988 . . . . 0.0 109.321 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 28.3 t60 -67.95 -7.1 25.82 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.304 -0.872 . . . . 0.0 109.559 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -93.03 -58.65 2.26 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.228 -0.92 . . . . 0.0 109.638 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -74.43 -60.88 2.07 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.179 -0.951 . . . . 0.0 109.583 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.8 t . . . . . 0 N--CA 1.491 1.624 0 O-C-N 121.211 -0.931 . . . . 0.0 109.543 -179.763 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.505 ' NE2' ' CE2' ' A' ' 70' ' ' PHE . 13.1 t-160 . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.438 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 9.4 ptmt -138.19 142.19 40.03 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.181 -0.949 . . . . 0.0 109.477 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 1.126 HD23 ' CZ ' ' A' ' 14' ' ' PHE . 0.4 OUTLIER -104.82 -165.54 1.14 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.248 -0.907 . . . . 0.0 109.479 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.522 ' CG ' ' O ' ' A' ' 66' ' ' GLY . 1.6 tttt -149.67 164.17 35.93 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.242 -0.911 . . . . 0.0 109.154 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.558 ' HE3' HG22 ' A' ' 59' ' ' THR . 3.6 mttp -76.65 -27.81 55.78 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.178 -0.951 . . . . 0.0 109.01 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.2 p -75.18 -38.07 60.97 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.446 -0.784 . . . . 0.0 109.319 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.494 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 16.7 tt0 -85.86 -19.32 30.77 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.136 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.529 ' O ' HG13 ' A' ' 36' ' ' ILE . 11.1 tp -79.99 -31.82 39.78 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 107.416 -1.327 . . . . 0.0 107.416 178.522 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.585 ' HB2' HD22 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -65.87 -43.53 88.07 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 179.076 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.549 ' HG3' ' N ' ' A' ' 35' ' ' LEU . 6.1 pt-20 -70.32 -41.95 72.6 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 179.144 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.801 ' CD1' HD22 ' B' ' 3' ' ' LEU . 0.1 OUTLIER -45.44 -43.22 11.21 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 179.524 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.529 HG13 ' O ' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -79.43 -57.71 4.85 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.129 -0.982 . . . . 0.0 109.976 -179.816 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.494 ' O ' ' HB2' ' A' ' 41' ' ' SER . 15.9 t-20 -75.54 -61.26 1.97 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.318 -0.864 . . . . 0.0 110.474 -178.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.503 ' HB3' ' O ' ' A' ' 34' ' ' GLU . 2.1 t30 -50.91 -28.7 10.23 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.187 -0.946 . . . . 0.0 110.297 -178.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.538 ' HG2' ' HB3' ' B' ' 3' ' ' LEU . 0.0 OUTLIER -101.83 -70.89 0.73 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.859 -1.151 . . . . 0.0 110.188 -179.634 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.72 ' HG ' HD23 ' B' ' 3' ' ' LEU . 84.0 mt -71.56 -99.5 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.101 -1.0 . . . . 0.0 110.025 -179.248 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.494 ' HB2' ' O ' ' A' ' 37' ' ' ASN . 7.1 t 57.98 16.25 3.62 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.888 -1.132 . . . . 0.0 109.656 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -85.89 -60.48 2.0 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.168 -0.958 . . . . 0.0 109.399 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.448 ' O ' ' O ' ' A' ' 44' ' ' LEU . 26.1 m-85 -62.35 -108.79 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.195 -0.941 . . . . 0.0 108.893 179.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.448 ' O ' ' O ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER 39.85 92.73 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.023 -1.048 . . . . 0.0 110.114 179.536 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -114.15 -80.04 0.59 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.267 -0.896 . . . . 0.0 108.918 179.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.5 ' HG3' ' O ' ' A' ' 46' ' ' GLU . 1.8 tt0 -110.13 -17.77 13.48 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.328 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.568 HG23 HG21 ' A' ' 53' ' ' VAL . 16.1 mt 74.53 99.96 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.531 -0.731 . . . . 0.0 109.861 179.511 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -89.38 -44.41 10.21 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.328 -0.857 . . . . 0.0 108.801 179.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.661 ' OE1' HG23 ' A' ' 52' ' ' VAL . 6.8 mm-40 -83.67 69.32 10.13 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 179.378 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.478 ' O ' ' HB2' ' A' ' 54' ' ' ASP . 0.8 OUTLIER -51.04 -23.79 3.31 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.238 -0.914 . . . . 0.0 109.553 -179.673 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.483 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 2.5 tt0 -80.24 -36.32 34.83 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.133 -0.979 . . . . 0.0 110.121 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.919 ' O ' HG22 ' A' ' 56' ' ' VAL . 33.4 t -72.05 -42.27 67.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.052 -1.03 . . . . 0.0 109.738 -179.621 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.568 HG21 HG23 ' A' ' 47' ' ' ILE . 86.6 t -78.9 -33.84 16.53 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.169 -0.957 . . . . 0.0 109.635 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.531 ' O ' ' CG ' ' A' ' 58' ' ' GLU . 49.3 m-20 -78.84 -20.67 49.07 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.03 -1.044 . . . . 0.0 108.68 179.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.483 ' HB2' ' O ' ' A' ' 51' ' ' GLU . 23.9 tptp -80.53 -48.2 13.11 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.33 -0.856 . . . . 0.0 109.776 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.919 HG22 ' O ' ' A' ' 52' ' ' VAL . 6.1 m -74.87 -37.89 42.75 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 O-C-N 121.015 -1.053 . . . . 0.0 109.391 -179.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 51.8 tpp -73.02 -23.13 60.57 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.465 -0.772 . . . . 0.0 109.288 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.531 ' CG ' ' O ' ' A' ' 54' ' ' ASP . 22.7 mt-10 -77.76 -47.1 19.81 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.927 -1.108 . . . . 0.0 108.885 179.448 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.558 HG22 ' HE3' ' A' ' 29' ' ' LYS . 4.2 m -66.57 -21.27 66.14 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 178.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.585 HD22 ' HB2' ' A' ' 33' ' ' LYS . 12.4 mt -74.77 -58.84 3.03 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-O 121.627 0.727 . . . . 0.0 109.063 179.457 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.12 -4.83 46.46 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.544 -0.723 . . . . 0.0 109.527 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.45 ' CB ' ' O ' ' A' ' 58' ' ' GLU . 52.9 tt0 -80.41 -54.5 5.65 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.224 -0.922 . . . . 0.0 109.598 -179.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.502 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 1.1 t0 -128.03 47.59 2.39 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.434 -0.792 . . . . 0.0 109.965 -179.583 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.51 ' HA2' ' HB2' ' A' ' 29' ' ' LYS . . . -39.45 -29.26 0.13 Allowed Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.486 ' N ' ' O ' ' A' ' 63' ' ' ASP . 27.6 t70 -92.93 42.51 1.1 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.334 -1.098 . . . . 0.0 109.44 179.559 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.522 ' O ' ' CG ' ' A' ' 28' ' ' LYS . . . -120.4 175.29 15.93 Favored Glycine 0 N--CA 1.489 2.173 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -115.2 152.88 31.85 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.053 -1.263 . . . . 0.0 110.146 -179.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.92 -171.5 2.59 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.467 -0.771 . . . . 0.0 109.241 179.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -122.08 174.59 6.84 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.189 -0.944 . . . . 0.0 109.351 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.58 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 6.9 p90 -72.14 -32.14 66.64 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.293 -0.879 . . . . 0.0 109.272 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.488 ' HG3' ' N ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -80.09 -29.81 39.12 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.161 -0.962 . . . . 0.0 109.152 179.804 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.488 ' N ' ' HG3' ' A' ' 71' ' ' GLN . 0.6 OUTLIER -72.22 -58.54 3.33 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.275 -0.891 . . . . 0.0 108.665 179.491 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.712 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -57.55 -25.05 59.36 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 179.141 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.801 ' CE ' HD22 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -69.11 -54.74 13.44 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.591 -0.693 . . . . 0.0 109.531 -179.841 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.472 ' O ' ' HG3' ' A' ' 79' ' ' MET . . . -69.18 -16.08 63.55 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.331 -0.856 . . . . 0.0 109.096 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.653 ' O ' HG22 ' A' ' 80' ' ' VAL . 1.4 m-85 -79.85 -37.81 34.15 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.408 -0.807 . . . . 0.0 109.225 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.833 HG12 ' SD ' ' B' ' 7' ' ' MET . 69.6 t -72.8 -26.27 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.437 -0.79 . . . . 0.0 110.03 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 21.8 m -77.95 -49.88 13.27 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.215 -0.928 . . . . 0.0 110.572 -179.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.473 ' HB3' ' CG1' ' A' ' 52' ' ' VAL . 0.5 OUTLIER -54.53 -46.64 73.6 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.011 -1.056 . . . . 0.0 110.545 -179.086 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.794 ' CG1' HG21 ' A' ' 56' ' ' VAL . 3.3 m -63.01 -40.29 88.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.053 -1.029 . . . . 0.0 110.315 -179.111 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.479 ' OG1' ' O ' ' A' ' 77' ' ' VAL . 0.2 OUTLIER -69.42 -10.12 56.59 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.927 -1.108 . . . . 0.0 109.419 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -113.0 -0.11 14.87 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.228 -0.92 . . . . 0.0 109.653 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.529 ' HB1' HG23 ' A' ' 53' ' ' VAL . . . . . . . . 0 N--CA 1.491 1.611 0 O-C-N 121.172 -0.955 . . . . 0.0 109.629 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 3.7 p . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.876 ' HB2' HG22 ' A' ' 13' ' ' VAL . 32.5 mm-40 -69.32 -38.75 78.35 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.345 -0.847 . . . . 0.0 109.631 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.801 HD22 ' CD1' ' A' ' 35' ' ' LEU . 7.6 tp -80.09 -50.07 10.85 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.34 -0.85 . . . . 0.0 109.967 -179.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.549 ' O ' ' CG2' ' B' ' 8' ' ' VAL . 61.4 tt0 -57.35 -42.01 81.19 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.066 -1.021 . . . . 0.0 109.905 -179.42 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.575 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 8.7 tptt -78.48 -38.46 40.9 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.77 -1.206 . . . . 0.0 109.763 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.623 ' CB ' ' HB3' ' A' ' 9' ' ' ALA . . . -80.29 -70.46 0.52 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.31 -0.869 . . . . 0.0 109.684 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . 0.833 ' SD ' HG12 ' A' ' 77' ' ' VAL . 8.2 tpt -40.56 -48.33 2.83 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 121.705 0.765 . . . . 0.0 109.891 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.549 ' CG2' ' O ' ' B' ' 4' ' ' GLU . 21.0 t -70.47 -38.53 74.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.592 0 O-C-N 121.31 -0.869 . . . . 0.0 109.957 -179.369 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.601 ' HB3' ' CB ' ' A' ' 6' ' ' ALA . . . -53.11 -44.34 67.57 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.968 -1.083 . . . . 0.0 108.927 179.591 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.794 HD22 ' CE ' ' B' ' 74' ' ' MET . 0.3 OUTLIER -54.36 -52.8 60.49 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 179.209 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.447 HD13 ' HA ' ' B' ' 11' ' ' ILE . 32.3 mm -49.61 -34.26 8.46 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 179.047 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -62.0 -45.35 94.01 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.398 -0.814 . . . . 0.0 109.335 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . 0.892 HG22 ' HB2' ' A' ' 2' ' ' GLU . 53.7 t -46.92 -37.35 3.65 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.223 -0.923 . . . . 0.0 109.009 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 1.119 ' CZ ' HD23 ' B' ' 27' ' ' LEU . 2.1 t80 -62.53 -45.57 92.35 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.235 -0.916 . . . . 0.0 109.358 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 28.4 t60 -67.94 -7.22 26.7 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.249 -0.907 . . . . 0.0 109.568 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -92.88 -58.62 2.28 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.314 -0.866 . . . . 0.0 109.707 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -74.51 -60.86 2.08 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.274 -0.891 . . . . 0.0 109.53 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 3.8 t . . . . . 0 N--CA 1.49 1.541 0 O-C-N 121.363 -0.836 . . . . 0.0 109.682 -179.814 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . 0.515 ' NE2' ' CE2' ' B' ' 70' ' ' PHE . 13.1 t-160 . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 121.208 0.528 . . . . 0.0 109.601 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.452 ' O ' ' HG3' ' B' ' 26' ' ' LYS . 9.5 ptmt -138.14 142.22 40.14 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.228 -0.92 . . . . 0.0 109.464 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 1.119 HD23 ' CZ ' ' B' ' 14' ' ' PHE . 0.4 OUTLIER -104.85 -165.62 1.15 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.204 -0.935 . . . . 0.0 109.455 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.524 ' CG ' ' O ' ' B' ' 66' ' ' GLY . 1.6 tttt -149.53 164.18 35.76 Favored 'General case' 0 N--CA 1.486 1.336 0 O-C-N 121.304 -0.873 . . . . 0.0 109.109 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.547 ' HE3' HG22 ' B' ' 59' ' ' THR . 3.6 mttp -76.73 -27.74 55.54 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.128 -0.982 . . . . 0.0 108.957 179.682 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 6.2 p -75.13 -38.21 61.11 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.269 -0.894 . . . . 0.0 109.363 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.504 ' O ' ' HG2' ' B' ' 34' ' ' GLU . 16.6 tt0 -85.82 -19.27 30.92 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.169 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.538 ' O ' HG13 ' B' ' 36' ' ' ILE . 11.0 tp -79.97 -31.94 39.85 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 107.295 -1.372 . . . . 0.0 107.295 178.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.573 ' HB2' HD22 ' B' ' 60' ' ' LEU . 0.4 OUTLIER -65.88 -43.5 88.11 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.104 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.54 ' HG3' ' N ' ' B' ' 35' ' ' LEU . 6.1 pt-20 -70.45 -41.91 72.18 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 107.918 -1.142 . . . . 0.0 107.918 179.267 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.755 ' CD1' HD22 ' A' ' 3' ' ' LEU . 0.1 OUTLIER -45.5 -43.22 11.5 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.49 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.538 HG13 ' O ' ' B' ' 32' ' ' LEU . 0.4 OUTLIER -79.36 -57.92 4.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.169 -0.957 . . . . 0.0 109.958 -179.862 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.495 ' O ' ' HB2' ' B' ' 41' ' ' SER . 15.7 t-20 -75.4 -61.27 1.96 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.285 -0.885 . . . . 0.0 110.623 -179.006 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.489 ' HB3' ' O ' ' B' ' 34' ' ' GLU . 2.1 t30 -50.89 -28.63 10.02 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.117 -0.989 . . . . 0.0 110.303 -178.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.505 ' HG2' ' HB3' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -101.94 -70.84 0.74 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.944 -1.098 . . . . 0.0 110.21 -179.637 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.784 ' HG ' HD23 ' A' ' 3' ' ' LEU . 83.7 mt -71.5 -99.62 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.134 -0.979 . . . . 0.0 109.967 -179.308 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.495 ' HB2' ' O ' ' B' ' 37' ' ' ASN . 7.2 t 58.01 16.27 3.66 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.997 -1.064 . . . . 0.0 109.692 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -86.05 -60.38 2.03 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.141 -0.974 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . 0.452 ' O ' ' O ' ' B' ' 44' ' ' LEU . 26.0 m-85 -62.35 -108.84 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.147 -0.97 . . . . 0.0 108.928 179.507 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.452 ' O ' ' O ' ' B' ' 43' ' ' PHE . 0.1 OUTLIER 39.86 92.66 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.085 -1.01 . . . . 0.0 110.225 179.52 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -114.15 -80.07 0.59 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.257 -0.902 . . . . 0.0 108.883 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . 0.506 ' HG3' ' O ' ' B' ' 46' ' ' GLU . 1.8 tt0 -110.18 -17.82 13.45 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 179.347 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.56 HG23 HG21 ' B' ' 53' ' ' VAL . 16.0 mt 74.54 100.04 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.478 -0.764 . . . . 0.0 109.888 179.485 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -89.45 -44.48 10.12 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.295 -0.878 . . . . 0.0 108.777 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.641 ' OE1' HG23 ' B' ' 52' ' ' VAL . 6.8 mm-40 -83.67 69.36 10.14 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 179.392 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . 0.48 ' O ' ' HB2' ' B' ' 54' ' ' ASP . 0.8 OUTLIER -51.01 -23.84 3.28 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.337 -0.852 . . . . 0.0 109.539 -179.687 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.491 ' O ' ' HB2' ' B' ' 55' ' ' LYS . 2.5 tt0 -80.11 -36.46 35.36 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.298 -0.876 . . . . 0.0 110.051 -179.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.901 ' O ' HG22 ' B' ' 56' ' ' VAL . 33.0 t -72.08 -42.24 67.65 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.461 0 O-C-N 121.055 -1.028 . . . . 0.0 109.729 -179.505 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.56 HG21 HG23 ' B' ' 47' ' ' ILE . 87.2 t -78.85 -33.85 16.65 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.129 -0.982 . . . . 0.0 109.68 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . 0.535 ' O ' ' CG ' ' B' ' 58' ' ' GLU . 49.4 m-20 -78.8 -20.87 48.75 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.121 -0.987 . . . . 0.0 108.691 179.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . 0.491 ' HB2' ' O ' ' B' ' 51' ' ' GLU . 23.9 tptp -80.32 -48.27 13.24 Favored 'General case' 0 N--CA 1.485 1.324 0 O-C-N 121.28 -0.888 . . . . 0.0 109.773 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.901 HG22 ' O ' ' B' ' 52' ' ' VAL . 6.1 m -74.88 -37.85 42.59 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.363 0 O-C-N 120.999 -1.063 . . . . 0.0 109.431 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 52.1 tpp -73.11 -23.1 60.46 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.471 -0.768 . . . . 0.0 109.203 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . 0.535 ' CG ' ' O ' ' B' ' 54' ' ' ASP . 22.7 mt-10 -77.72 -47.2 19.67 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 119.218 -0.993 . . . . 0.0 108.895 179.437 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . 0.547 HG22 ' HE3' ' B' ' 29' ' ' LYS . 4.2 m -66.47 -21.21 66.19 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 178.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.573 HD22 ' HB2' ' B' ' 33' ' ' LYS . 12.4 mt -74.74 -58.98 2.94 Favored 'General case' 0 N--CA 1.487 1.424 0 CA-C-O 121.671 0.748 . . . . 0.0 109.101 179.414 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.02 -4.89 46.5 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.609 -0.682 . . . . 0.0 109.476 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.45 ' HB2' ' O ' ' B' ' 58' ' ' GLU . 52.9 tt0 -80.27 -54.51 5.66 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.286 -0.884 . . . . 0.0 109.689 -179.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.507 ' O ' ' HD3' ' B' ' 29' ' ' LYS . 1.1 t0 -127.99 47.57 2.39 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.415 -0.803 . . . . 0.0 109.996 -179.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . 0.505 ' HA2' ' HB2' ' B' ' 29' ' ' LYS . . . -39.35 -29.31 0.12 Allowed Glycine 0 N--CA 1.492 2.42 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 179.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' B' ' 63' ' ' ASP . 27.6 t70 -92.97 42.46 1.1 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.343 -1.092 . . . . 0.0 109.396 179.587 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . 0.524 ' O ' ' CG ' ' B' ' 28' ' ' LYS . . . -120.44 175.32 15.94 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -115.25 152.89 31.89 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.15 -1.206 . . . . 0.0 110.121 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.94 -171.52 2.59 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.382 -0.824 . . . . 0.0 109.189 179.697 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -121.99 174.56 6.83 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.183 -0.948 . . . . 0.0 109.238 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.579 ' HA ' ' CE2' ' B' ' 14' ' ' PHE . 6.8 p90 -72.22 -32.19 66.52 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.206 -0.934 . . . . 0.0 109.207 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.486 ' HG3' ' N ' ' B' ' 72' ' ' GLU . 0.0 OUTLIER -79.87 -29.8 40.07 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.194 -0.941 . . . . 0.0 109.246 179.703 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.486 ' N ' ' HG3' ' B' ' 71' ' ' GLN . 0.6 OUTLIER -72.32 -58.44 3.4 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.299 -0.875 . . . . 0.0 108.728 179.508 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.704 ' O ' HG23 ' B' ' 77' ' ' VAL . 0.0 OUTLIER -57.58 -24.99 59.29 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 179.134 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.794 ' CE ' HD22 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -69.22 -54.7 13.41 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.561 -0.712 . . . . 0.0 109.576 -179.809 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.466 ' O ' ' HG3' ' B' ' 79' ' ' MET . . . -69.15 -15.95 63.53 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.252 -0.905 . . . . 0.0 109.018 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.645 ' O ' HG22 ' B' ' 80' ' ' VAL . 1.4 m-85 -80.0 -37.8 33.45 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.427 -0.796 . . . . 0.0 109.256 179.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.842 HG12 ' SD ' ' A' ' 7' ' ' MET . 68.5 t -72.77 -26.25 23.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.384 -0.823 . . . . 0.0 109.905 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 21.5 m -77.97 -50.04 12.92 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.205 -0.935 . . . . 0.0 110.622 -179.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . 0.471 ' HB3' ' CG1' ' B' ' 52' ' ' VAL . 0.5 OUTLIER -54.42 -46.47 73.19 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.067 -1.02 . . . . 0.0 110.552 -179.12 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.787 ' CG1' HG21 ' B' ' 56' ' ' VAL . 3.3 m -63.03 -40.46 89.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.104 -0.998 . . . . 0.0 110.38 -179.15 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.468 ' OG1' ' O ' ' B' ' 77' ' ' VAL . 0.2 OUTLIER -69.43 -10.07 56.38 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.911 -1.118 . . . . 0.0 109.356 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -113.03 -0.06 14.86 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.241 -0.912 . . . . 0.0 109.606 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.532 ' HB1' HG23 ' B' ' 53' ' ' VAL . . . . . . . . 0 N--CA 1.489 1.522 0 O-C-N 121.136 -0.978 . . . . 0.0 109.61 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . 0.496 ' OG ' ' HB3' ' A' ' 4' ' ' GLU . 93.4 p . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 121.373 0.606 . . . . 0.0 109.69 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.821 ' HB2' HG22 ' B' ' 13' ' ' VAL . 46.6 mm-40 -80.44 -36.0 34.22 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.417 -0.802 . . . . 0.0 109.703 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.689 HD11 HD21 ' B' ' 10' ' ' LEU . 7.0 tp -76.84 -49.39 15.86 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.349 -0.844 . . . . 0.0 110.425 -178.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.539 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 2.6 tm-20 -57.76 -37.32 73.43 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 120.915 -1.115 . . . . 0.0 110.409 -178.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.78 -53.62 6.34 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.823 -1.173 . . . . 0.0 110.471 -179.213 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.62 ' HB1' ' HB3' ' B' ' 9' ' ' ALA . . . -67.11 -58.11 5.5 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.156 -0.965 . . . . 0.0 110.42 -179.032 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.665 ' SD ' HD11 ' B' ' 10' ' ' LEU . 11.3 tpt -51.02 -55.7 16.15 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.334 -0.854 . . . . 0.0 110.112 -179.254 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.539 ' CG2' ' O ' ' A' ' 4' ' ' GLU . 21.6 t -61.29 -30.46 47.97 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.579 0 O-C-N 121.337 -0.852 . . . . 0.0 109.904 -179.175 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.614 ' HB3' ' HB1' ' B' ' 6' ' ' ALA . . . -61.09 -45.78 93.3 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.999 -1.063 . . . . 0.0 108.88 179.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.769 HD13 ' CE ' ' A' ' 74' ' ' MET . 0.2 OUTLIER -51.65 -41.0 61.01 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.304 -0.873 . . . . 0.0 108.691 179.589 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.593 ' N ' HD12 ' A' ' 11' ' ' ILE . 1.5 mp -58.22 -41.21 80.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 179.229 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -53.45 -53.05 56.94 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.415 -0.803 . . . . 0.0 109.036 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.824 HG22 ' HB2' ' B' ' 2' ' ' GLU . 52.9 t -45.76 -35.36 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.351 -0.843 . . . . 0.0 109.4 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.969 ' CZ ' HD23 ' A' ' 27' ' ' LEU . 20.2 t80 -60.14 -50.27 74.35 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.246 -0.909 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -77.4 1.65 18.4 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.216 -0.928 . . . . 0.0 109.458 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.462 ' HB2' ' HA ' ' A' ' 13' ' ' VAL . 2.9 tp60 -76.41 -51.38 11.95 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 179.42 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.992 ' CE1' HD21 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -137.43 67.01 1.44 Allowed 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.432 -0.792 . . . . 0.0 109.572 179.109 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.3 t . . . . . 0 N--CA 1.491 1.591 0 O-C-N 121.252 -0.905 . . . . 0.0 108.999 179.717 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.629 ' O ' ' CG ' ' A' ' 25' ' ' HIS . 9.0 t-80 . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.523 0.678 . . . . 0.0 109.733 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.624 ' O ' HD22 ' A' ' 27' ' ' LEU . 7.8 mttt -140.03 168.95 18.63 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.575 -1.328 . . . . 0.0 109.906 179.434 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.969 HD23 ' CZ ' ' A' ' 14' ' ' PHE . 0.6 OUTLIER -131.91 -165.18 1.55 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.465 -0.772 . . . . 0.0 109.098 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.436 ' HA ' ' O ' ' A' ' 66' ' ' GLY . 0.0 OUTLIER -150.02 169.89 20.15 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.205 -0.935 . . . . 0.0 109.78 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.498 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 6.4 mmtt -79.58 -25.78 41.46 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.346 -0.846 . . . . 0.0 109.327 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.01 -38.06 32.87 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.256 -0.903 . . . . 0.0 109.505 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.49 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 10.6 tt0 -83.76 -20.07 34.0 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 179.284 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.526 ' O ' HG13 ' A' ' 36' ' ' ILE . 24.9 tp -80.98 -37.98 28.38 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 178.581 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.642 ' HB2' HD22 ' A' ' 60' ' ' LEU . 3.0 tttt -64.33 -34.24 77.68 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 179.443 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.535 ' HG3' ' N ' ' A' ' 35' ' ' LEU . 8.5 pt-20 -80.25 -42.24 23.55 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 179.511 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.992 HD21 ' CE1' ' A' ' 17' ' ' TYR . 0.1 OUTLIER -45.16 -50.83 11.09 Favored 'General case' 0 C--N 1.295 -1.798 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 179.687 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 1.129 ' CG2' HG21 ' A' ' 80' ' ' VAL . 0.2 OUTLIER -78.8 -49.86 19.7 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 O-C-N 121.412 -0.805 . . . . 0.0 109.915 -179.735 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.554 ' O ' ' CB ' ' A' ' 41' ' ' SER . 15.6 t-20 -72.61 -68.26 0.49 Allowed 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.299 -0.876 . . . . 0.0 110.085 -179.21 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.529 ' HB3' ' O ' ' A' ' 34' ' ' GLU . 0.7 OUTLIER -43.89 -23.2 0.08 Allowed 'General case' 0 C--N 1.3 -1.585 0 O-C-N 120.919 -1.113 . . . . 0.0 110.334 -179.478 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.465 ' HB2' ' O ' ' A' ' 35' ' ' LEU . 18.4 mm-40 -109.11 -76.39 0.61 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.722 -1.236 . . . . 0.0 111.72 -178.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.583 HD23 ' N ' ' A' ' 40' ' ' LEU . 4.5 mt -66.85 -12.48 59.29 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.921 -1.112 . . . . 0.0 112.041 -177.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.554 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 47.2 t -55.92 -40.42 73.06 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.543 -1.348 . . . . 0.0 109.917 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.2 m170 -61.1 -28.28 68.97 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.042 -1.036 . . . . 0.0 109.8 -179.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.56 ' O ' ' CG ' ' A' ' 43' ' ' PHE . 18.1 t80 -102.79 1.85 34.76 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.286 -0.884 . . . . 0.0 109.897 -179.532 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.688 HD21 HD11 ' A' ' 47' ' ' ILE . 1.2 tt -113.57 128.56 56.48 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.07 -1.019 . . . . 0.0 109.757 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -165.73 24.42 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.303 -0.873 . . . . 0.0 109.676 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.471 ' OE1' ' HA ' ' A' ' 46' ' ' GLU . 5.1 mm-40 -133.82 -54.15 0.87 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.265 -0.897 . . . . 0.0 108.884 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.688 HD11 HD21 ' A' ' 44' ' ' LEU . 5.9 mt 54.06 96.43 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.335 -0.853 . . . . 0.0 109.83 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.26 -33.17 12.67 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.176 -0.952 . . . . 0.0 109.018 179.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.503 ' OE1' HG23 ' A' ' 52' ' ' VAL . 2.7 mm-40 -89.11 68.48 8.23 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.289 -0.882 . . . . 0.0 109.195 179.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.529 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 3.6 tp60 -43.78 -26.74 0.27 Allowed 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.247 -0.908 . . . . 0.0 109.536 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 49' ' ' GLU . 4.6 tt0 -76.13 -44.87 36.45 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.202 -0.936 . . . . 0.0 109.823 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.503 HG23 ' OE1' ' A' ' 49' ' ' GLU . 96.9 t -61.19 -55.25 25.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.225 -0.922 . . . . 0.0 109.736 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.546 HG21 HG12 ' A' ' 47' ' ' ILE . 74.5 t -66.88 -29.16 45.38 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.242 -0.911 . . . . 0.0 109.782 -179.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.529 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 14.2 t70 -75.89 -21.89 56.67 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.085 -1.009 . . . . 0.0 109.154 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -81.16 -51.64 8.22 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.134 -0.979 . . . . 0.0 109.649 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.597 ' HA ' ' CE2' ' A' ' 76' ' ' PHE . 35.8 m -69.17 -47.08 76.44 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.302 0 O-C-N 121.068 -1.02 . . . . 0.0 108.756 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.595 ' N ' HG23 ' A' ' 56' ' ' VAL . 28.8 tpp -62.95 -20.03 64.84 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 178.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.521 ' CG ' ' O ' ' A' ' 54' ' ' ASP . 2.7 mt-10 -72.46 -57.56 4.07 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.494 -0.754 . . . . 0.0 109.588 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.466 ' O ' ' HB3' ' A' ' 62' ' ' GLU . 0.2 OUTLIER -58.87 -38.71 79.42 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.465 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.642 HD22 ' HB2' ' A' ' 33' ' ' LYS . 12.0 mt -55.06 -55.38 31.67 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 179.239 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.81 -2.04 45.54 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.466 -0.771 . . . . 0.0 109.386 179.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.466 ' HB3' ' O ' ' A' ' 59' ' ' THR . 40.1 tt0 -68.2 -32.37 72.54 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.129 -0.982 . . . . 0.0 109.178 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -150.51 -48.66 0.13 Allowed 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.33 -0.857 . . . . 0.0 109.637 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.45 ' C ' ' HB2' ' A' ' 29' ' ' LYS . . . 88.23 -19.3 36.01 Favored Glycine 0 N--CA 1.489 2.224 0 N-CA-C 109.463 -1.455 . . . . 0.0 109.463 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -121.54 83.41 2.08 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.351 -1.088 . . . . 0.0 109.346 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.436 ' O ' ' HA ' ' A' ' 28' ' ' LYS . . . -143.39 -177.36 18.27 Favored Glycine 0 N--CA 1.488 2.111 0 N-CA-C 109.531 -1.428 . . . . 0.0 109.531 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -121.86 127.47 50.54 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.311 -1.111 . . . . 0.0 109.46 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 49.5 m -109.78 168.45 9.41 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.284 -0.885 . . . . 0.0 109.848 -179.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -99.25 -170.35 1.9 Allowed 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.232 -0.917 . . . . 0.0 109.001 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.611 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 3.4 p90 -84.47 -36.81 22.02 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.105 -0.997 . . . . 0.0 109.593 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.604 ' HG2' ' CD2' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -81.12 -13.78 58.34 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.867 -1.146 . . . . 0.0 108.978 179.077 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.456 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 1.5 mm-40 -78.35 -48.4 15.66 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.313 -0.867 . . . . 0.0 108.701 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.588 ' CE1' ' HG ' ' A' ' 35' ' ' LEU . 0.3 OUTLIER -68.73 -29.97 68.5 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.276 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.769 ' CE ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -74.15 -45.78 46.55 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.366 -0.834 . . . . 0.0 109.528 -179.761 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.532 ' O ' ' CG ' ' A' ' 79' ' ' MET . . . -72.03 -18.39 61.96 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.416 -0.803 . . . . 0.0 108.957 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.597 ' CE2' ' HA ' ' A' ' 56' ' ' VAL . 0.2 OUTLIER -80.06 -37.94 32.86 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.421 -0.8 . . . . 0.0 109.609 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.71 HG12 ' HE2' ' B' ' 7' ' ' MET . 98.6 t -70.19 -27.0 30.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.224 -0.923 . . . . 0.0 109.51 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.654 ' O ' HG23 ' A' ' 82' ' ' THR . 15.8 m -76.05 -26.09 56.24 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.188 -0.945 . . . . 0.0 109.671 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.532 ' CG ' ' O ' ' A' ' 75' ' ' ALA . 5.2 mtp -69.44 -50.61 44.09 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.276 -0.89 . . . . 0.0 109.142 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 1.129 HG21 ' CG2' ' A' ' 36' ' ' ILE . 12.0 m -70.54 -40.97 77.92 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.361 0 O-C-N 121.386 -0.822 . . . . 0.0 109.95 -179.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.507 ' OG1' ' CD1' ' A' ' 40' ' ' LEU . 22.1 m -67.43 -9.99 47.08 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.132 -0.98 . . . . 0.0 109.046 179.343 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.654 HG23 ' O ' ' A' ' 78' ' ' SER . 74.2 p -115.12 -11.79 12.0 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.376 -0.828 . . . . 0.0 109.353 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.488 ' O ' ' HA ' ' A' ' 47' ' ' ILE . . . . . . . . 0 N--CA 1.489 1.481 0 O-C-N 121.322 -0.861 . . . . 0.0 109.337 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . 0.501 ' OG ' ' HB3' ' B' ' 4' ' ' GLU . 93.4 p . . . . . 0 N--CA 1.49 1.56 0 CA-C-O 121.378 0.608 . . . . 0.0 109.643 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.824 ' HB2' HG22 ' A' ' 13' ' ' VAL . 46.3 mm-40 -80.44 -36.01 34.2 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.399 -0.813 . . . . 0.0 109.792 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.674 HD11 HD21 ' A' ' 10' ' ' LEU . 7.0 tp -76.78 -49.41 15.97 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.371 -0.831 . . . . 0.0 110.416 -179.008 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.542 ' O ' ' CG2' ' B' ' 8' ' ' VAL . 2.6 tm-20 -57.74 -37.36 73.45 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 120.923 -1.111 . . . . 0.0 110.462 -178.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.75 -53.64 6.33 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.863 -1.148 . . . . 0.0 110.462 -179.247 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.614 ' HB1' ' HB3' ' A' ' 9' ' ' ALA . . . -67.04 -58.21 5.36 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.078 -1.014 . . . . 0.0 110.487 -179.023 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . 0.71 ' HE2' HG12 ' A' ' 77' ' ' VAL . 11.4 tpt -50.89 -55.71 15.78 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.282 -0.887 . . . . 0.0 110.124 -179.312 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.542 ' CG2' ' O ' ' B' ' 4' ' ' GLU . 21.6 t -61.32 -30.47 48.01 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 O-C-N 121.319 -0.863 . . . . 0.0 110.0 -179.195 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.62 ' HB3' ' HB1' ' A' ' 6' ' ' ALA . . . -61.16 -45.73 93.45 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.888 -1.132 . . . . 0.0 108.934 179.414 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.778 HD13 ' CE ' ' B' ' 74' ' ' MET . 0.2 OUTLIER -51.58 -41.11 60.93 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.272 -0.892 . . . . 0.0 108.628 179.514 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.605 ' N ' HD12 ' B' ' 11' ' ' ILE . 1.5 mp -58.04 -41.41 80.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 N-CA-C 108.555 -0.905 . . . . 0.0 108.555 179.158 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -53.3 -53.01 57.12 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.471 -0.768 . . . . 0.0 109.066 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . 0.821 HG22 ' HB2' ' A' ' 2' ' ' GLU . 53.2 t -45.83 -35.4 2.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.339 -0.851 . . . . 0.0 109.399 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.975 ' CZ ' HD23 ' B' ' 27' ' ' LEU . 20.3 t80 -60.11 -50.3 74.25 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.196 -0.94 . . . . 0.0 109.223 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -77.31 1.54 18.46 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.345 -0.847 . . . . 0.0 109.543 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.455 ' HB2' ' HA ' ' B' ' 13' ' ' VAL . 2.9 tp60 -76.4 -51.29 12.15 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 179.383 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.98 ' CE1' HD21 ' B' ' 35' ' ' LEU . 0.1 OUTLIER -137.42 66.94 1.44 Allowed 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.433 -0.792 . . . . 0.0 109.506 179.177 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 8.4 t . . . . . 0 N--CA 1.491 1.585 0 O-C-N 121.391 -0.818 . . . . 0.0 109.047 179.654 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . 0.629 ' O ' ' CG ' ' B' ' 25' ' ' HIS . 9.0 t-80 . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.49 0.662 . . . . 0.0 109.723 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.623 ' O ' HD22 ' B' ' 27' ' ' LEU . 7.7 mttt -140.02 168.98 18.56 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.539 -1.35 . . . . 0.0 109.95 179.434 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.975 HD23 ' CZ ' ' B' ' 14' ' ' PHE . 0.6 OUTLIER -131.96 -165.2 1.55 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.491 -0.756 . . . . 0.0 109.153 179.891 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.436 ' HA ' ' O ' ' B' ' 66' ' ' GLY . 0.0 OUTLIER -149.99 169.97 19.94 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.113 -0.992 . . . . 0.0 109.788 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.485 ' O ' ' HB2' ' B' ' 33' ' ' LYS . 6.4 mmtt -79.66 -25.74 41.22 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.275 -0.891 . . . . 0.0 109.254 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.96 -38.15 32.88 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.362 -0.836 . . . . 0.0 109.519 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.499 ' O ' ' HG2' ' B' ' 34' ' ' GLU . 10.6 tt0 -83.75 -19.97 34.2 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 179.335 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.522 ' O ' HG13 ' B' ' 36' ' ' ILE . 24.7 tp -81.08 -38.02 28.01 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 178.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.642 ' HB2' HD22 ' B' ' 60' ' ' LEU . 3.1 tttt -64.21 -34.19 77.53 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 179.5 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.55 ' HG3' ' N ' ' B' ' 35' ' ' LEU . 8.4 pt-20 -80.35 -42.32 23.13 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 179.561 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.98 HD21 ' CE1' ' B' ' 17' ' ' TYR . 0.1 OUTLIER -45.05 -50.78 10.67 Favored 'General case' 0 C--N 1.295 -1.792 0 CA-C-O 121.432 0.634 . . . . 0.0 109.303 179.603 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 1.124 ' CG2' HG21 ' B' ' 80' ' ' VAL . 0.2 OUTLIER -78.88 -49.77 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.308 -0.87 . . . . 0.0 109.961 -179.764 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.557 ' O ' ' CB ' ' B' ' 41' ' ' SER . 15.7 t-20 -72.65 -68.39 0.48 Allowed 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.317 -0.865 . . . . 0.0 109.901 -179.167 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.523 ' HB3' ' O ' ' B' ' 34' ' ' GLU . 0.7 OUTLIER -43.8 -23.13 0.07 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.81 -1.181 . . . . 0.0 110.447 -179.46 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.465 ' HB2' ' O ' ' B' ' 35' ' ' LEU . 18.3 mm-40 -109.2 -76.37 0.61 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.735 -1.228 . . . . 0.0 111.709 -178.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.579 HD23 ' N ' ' B' ' 40' ' ' LEU . 4.5 mt -66.89 -12.52 59.62 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.904 -1.122 . . . . 0.0 112.027 -177.606 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.557 ' CB ' ' O ' ' B' ' 37' ' ' ASN . 46.9 t -55.91 -40.38 72.98 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.652 -1.28 . . . . 0.0 109.881 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 1.3 m170 -61.1 -28.34 69.02 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.147 -0.971 . . . . 0.0 109.852 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . 0.565 ' O ' ' CG ' ' B' ' 43' ' ' PHE . 18.1 t80 -102.76 1.79 34.76 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.247 -0.908 . . . . 0.0 109.948 -179.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.68 HD21 HD11 ' B' ' 47' ' ' ILE . 1.2 tt -113.53 128.61 56.5 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.169 -0.957 . . . . 0.0 109.868 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -165.78 24.54 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.27 -0.894 . . . . 0.0 109.645 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . 0.463 ' HA ' ' OE1' ' B' ' 46' ' ' GLU . 5.1 mm-40 -133.78 -53.96 0.87 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.208 -0.932 . . . . 0.0 109.016 179.729 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.68 HD11 HD21 ' B' ' 44' ' ' LEU . 5.9 mt 53.92 96.38 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 O-C-N 121.361 -0.837 . . . . 0.0 109.92 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.26 -33.09 12.7 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.293 -0.879 . . . . 0.0 108.994 179.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.492 ' OE1' HG23 ' B' ' 52' ' ' VAL . 2.7 mm-40 -89.17 68.59 8.18 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.33 -0.856 . . . . 0.0 109.123 179.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . 0.521 ' O ' ' CB ' ' B' ' 54' ' ' ASP . 3.6 tp60 -43.87 -26.65 0.28 Allowed 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.31 -0.869 . . . . 0.0 109.626 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' B' ' 49' ' ' GLU . 4.6 tt0 -76.14 -44.92 36.08 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.283 -0.886 . . . . 0.0 109.73 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.492 HG23 ' OE1' ' B' ' 49' ' ' GLU . 96.9 t -61.22 -55.24 25.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.133 -0.979 . . . . 0.0 109.707 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.543 HG21 HG12 ' B' ' 47' ' ' ILE . 75.1 t -66.94 -29.17 45.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.302 -0.874 . . . . 0.0 109.721 -179.617 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . 0.532 ' O ' ' CG ' ' B' ' 58' ' ' GLU . 14.3 t70 -75.89 -21.8 56.77 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.22 -0.925 . . . . 0.0 109.137 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -81.14 -51.68 8.19 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.309 -0.869 . . . . 0.0 109.74 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.596 ' HA ' ' CE2' ' B' ' 76' ' ' PHE . 35.8 m -69.09 -47.16 76.55 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.228 0 O-C-N 121.046 -1.034 . . . . 0.0 108.704 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.587 ' N ' HG23 ' B' ' 56' ' ' VAL . 28.8 tpp -63.01 -19.93 64.83 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . 0.532 ' CG ' ' O ' ' B' ' 54' ' ' ASP . 2.7 mt-10 -72.45 -57.51 4.12 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.429 -0.794 . . . . 0.0 109.572 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . 0.461 ' O ' ' HB3' ' B' ' 62' ' ' GLU . 0.2 OUTLIER -58.96 -38.68 79.63 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 179.468 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.642 HD22 ' HB2' ' B' ' 33' ' ' LYS . 12.0 mt -55.08 -55.34 32.17 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 179.313 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.9 -1.96 45.56 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.444 -0.785 . . . . 0.0 109.394 179.641 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.461 ' HB3' ' O ' ' B' ' 59' ' ' THR . 40.1 tt0 -68.36 -32.28 72.27 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.093 -1.005 . . . . 0.0 109.127 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -150.51 -48.7 0.13 Allowed 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.35 -0.844 . . . . 0.0 109.662 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . 0.453 ' C ' ' HB2' ' B' ' 29' ' ' LYS . . . 88.3 -19.33 36.13 Favored Glycine 0 N--CA 1.489 2.208 0 N-CA-C 109.489 -1.445 . . . . 0.0 109.489 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -121.53 83.54 2.1 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.29 -1.123 . . . . 0.0 109.36 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . 0.436 ' O ' ' HA ' ' B' ' 28' ' ' LYS . . . -143.49 -177.44 18.43 Favored Glycine 0 N--CA 1.486 1.981 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -121.74 127.62 50.87 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.159 -1.2 . . . . 0.0 109.453 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 48.7 m -109.97 168.46 9.41 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.339 -0.851 . . . . 0.0 109.806 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -99.25 -170.19 1.88 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.258 -0.901 . . . . 0.0 109.085 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.61 ' HA ' ' CE2' ' B' ' 14' ' ' PHE . 3.4 p90 -84.57 -36.8 21.86 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.06 -1.025 . . . . 0.0 109.536 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.609 ' HG2' ' CD2' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -81.16 -13.87 58.2 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.864 -1.148 . . . . 0.0 109.002 179.048 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.46 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 1.6 mm-40 -78.23 -48.41 15.84 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.303 -0.873 . . . . 0.0 108.746 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.585 ' CE1' ' HG ' ' B' ' 35' ' ' LEU . 0.3 OUTLIER -68.7 -29.92 68.46 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 179.212 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.778 ' CE ' HD13 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -74.2 -45.78 46.12 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.374 -0.829 . . . . 0.0 109.414 -179.759 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.52 ' O ' ' CG ' ' B' ' 79' ' ' MET . . . -72.25 -18.22 61.84 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.29 -0.881 . . . . 0.0 109.032 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.596 ' CE2' ' HA ' ' B' ' 56' ' ' VAL . 0.2 OUTLIER -80.09 -37.94 32.7 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.42 -0.8 . . . . 0.0 109.567 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.662 HG12 ' HE2' ' A' ' 7' ' ' MET . 98.7 t -70.22 -26.91 30.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.247 -0.908 . . . . 0.0 109.597 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . 0.66 ' O ' HG23 ' B' ' 82' ' ' THR . 15.9 m -76.13 -26.02 55.94 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.207 -0.933 . . . . 0.0 109.631 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . 0.52 ' CG ' ' O ' ' B' ' 75' ' ' ALA . 5.2 mtp -69.49 -50.59 43.85 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.29 -0.881 . . . . 0.0 109.166 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 1.124 HG21 ' CG2' ' B' ' 36' ' ' ILE . 11.9 m -70.57 -41.04 77.92 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.452 0 O-C-N 121.439 -0.788 . . . . 0.0 109.862 -179.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.523 ' OG1' ' CD1' ' B' ' 40' ' ' LEU . 22.3 m -67.41 -10.1 48.04 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.109 -0.994 . . . . 0.0 108.945 179.476 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.66 HG23 ' O ' ' B' ' 78' ' ' SER . 72.7 p -115.06 -11.77 12.05 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.333 -0.855 . . . . 0.0 109.371 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.494 ' O ' ' HA ' ' B' ' 47' ' ' ILE . . . . . . . . 0 N--CA 1.489 1.5 0 O-C-N 121.286 -0.884 . . . . 0.0 109.393 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . 0.461 ' O ' ' HB3' ' A' ' 5' ' ' LYS . 1.0 OUTLIER . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.535 ' HB3' HG22 ' B' ' 13' ' ' VAL . 0.1 OUTLIER -80.24 -63.12 1.48 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.165 -0.959 . . . . 0.0 109.899 -179.844 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.616 HD23 ' HG ' ' B' ' 40' ' ' LEU . 6.2 tp -70.73 -50.83 32.03 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.324 -0.86 . . . . 0.0 109.829 -179.591 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.542 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 12.8 tm-20 -51.16 -36.97 43.73 Favored 'General case' 0 C--N 1.295 -1.776 0 O-C-N 121.283 -0.886 . . . . 0.0 110.313 -178.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.69 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.1 OUTLIER -81.07 -37.82 28.37 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.785 -1.197 . . . . 0.0 109.798 -179.73 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.58 ' HB1' ' HB3' ' B' ' 9' ' ' ALA . . . -80.42 -69.18 0.61 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.23 -0.918 . . . . 0.0 109.822 -179.682 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 1.023 ' HE2' HG12 ' B' ' 77' ' ' VAL . 1.2 tpt -42.52 -51.99 4.88 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.267 -0.896 . . . . 0.0 109.585 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.542 ' CG2' ' O ' ' A' ' 4' ' ' GLU . 17.9 t -66.05 -36.2 76.9 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 O-C-N 121.418 -0.801 . . . . 0.0 109.245 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.69 ' HB2' ' O ' ' A' ' 5' ' ' LYS . . . -52.64 -40.43 62.77 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.066 -1.021 . . . . 0.0 108.431 179.139 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.714 HD22 ' CE ' ' A' ' 74' ' ' MET . 0.8 OUTLIER -56.12 -45.61 79.47 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 178.858 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.476 ' HB ' ' O ' ' A' ' 8' ' ' VAL . 1.2 mt -52.47 -36.24 21.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 178.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -58.65 -56.32 23.65 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.403 -0.811 . . . . 0.0 109.808 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.568 HG22 ' HB3' ' B' ' 2' ' ' GLU . 76.9 t -46.42 -32.11 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.169 -0.957 . . . . 0.0 109.636 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.982 ' CZ ' HD23 ' A' ' 27' ' ' LEU . 32.2 t80 -62.65 -47.69 82.6 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.118 -0.989 . . . . 0.0 109.696 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.445 ' O ' ' CG ' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -75.31 -2.76 29.77 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.189 -0.945 . . . . 0.0 109.262 -179.761 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.86 -32.05 12.29 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.237 -0.914 . . . . 0.0 109.143 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.48 ' CD2' ' CD2' ' A' ' 35' ' ' LEU . 3.4 m-30 -102.9 -57.1 2.1 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.375 -0.828 . . . . 0.0 109.243 179.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.511 ' CB ' ' CD2' ' A' ' 27' ' ' LEU . 2.8 t . . . . . 0 N--CA 1.493 1.699 0 O-C-N 121.312 -0.868 . . . . 0.0 109.212 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 19.9 m170 . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.132 0.491 . . . . 0.0 109.914 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.62 136.26 18.12 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.195 -0.941 . . . . 0.0 109.143 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.982 HD23 ' CZ ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -98.42 -167.89 1.57 Allowed 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.094 -1.003 . . . . 0.0 109.558 179.931 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -150.51 129.13 12.28 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 179.706 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.63 ' O ' HD22 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -43.5 -24.18 0.1 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.108 -0.995 . . . . 0.0 110.188 -179.393 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 28' ' ' LYS . 1.6 m -77.67 -45.29 25.36 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.897 -1.127 . . . . 0.0 109.841 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.507 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 1.1 tp10 -74.28 -14.98 60.98 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.079 -1.013 . . . . 0.0 108.72 179.671 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.517 ' O ' HG13 ' A' ' 36' ' ' ILE . 20.1 tp -81.54 -47.84 12.58 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 178.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.2 ttmt -50.82 -42.38 58.35 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 178.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.562 ' HG3' ' N ' ' A' ' 35' ' ' LEU . 5.6 pt-20 -74.65 -44.2 51.54 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.457 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.59 ' CD1' HD22 ' B' ' 3' ' ' LEU . 0.2 OUTLIER -43.63 -41.36 4.61 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 179.471 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.733 HD13 HG21 ' A' ' 80' ' ' VAL . 0.7 OUTLIER -80.47 -63.79 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 121.338 -0.851 . . . . 0.0 109.951 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.506 ' HA ' ' HB2' ' A' ' 41' ' ' SER . 38.3 t-20 -66.36 -61.87 1.78 Allowed 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.067 -1.021 . . . . 0.0 110.137 -179.188 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.496 ' HB3' ' O ' ' A' ' 34' ' ' GLU . 10.4 t30 -43.48 -44.52 5.97 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.306 -0.871 . . . . 0.0 110.321 -179.519 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.492 ' HG2' ' HB3' ' B' ' 3' ' ' LEU . 0.5 OUTLIER -92.43 -75.7 0.48 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.998 -1.064 . . . . 0.0 110.856 -179.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.578 ' HG ' HD23 ' B' ' 3' ' ' LEU . 54.5 mt -56.58 -95.19 0.0 OUTLIER 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.088 -1.007 . . . . 0.0 110.036 -178.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.506 ' HB2' ' HA ' ' A' ' 37' ' ' ASN . 39.4 t 42.2 74.14 0.12 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.19 -0.944 . . . . 0.0 109.721 -179.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -149.04 -46.31 0.14 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.024 -1.048 . . . . 0.0 109.916 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -98.11 90.89 5.03 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.128 -0.983 . . . . 0.0 109.218 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.64 69.76 1.29 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.317 -0.865 . . . . 0.0 109.472 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -130.09 -51.24 1.12 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.174 -0.953 . . . . 0.0 109.581 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 51.5 mp0 -119.3 68.05 0.8 Allowed 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.395 -0.815 . . . . 0.0 109.478 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.6 mt -64.56 127.79 25.94 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.22 -0.925 . . . . 0.0 109.685 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -98.58 -37.45 9.53 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.208 -0.932 . . . . 0.0 109.282 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.734 ' OE1' HG23 ' A' ' 52' ' ' VAL . 15.1 mm-40 -94.78 61.86 2.64 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.234 -0.916 . . . . 0.0 109.344 179.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.475 ' O ' ' HB2' ' A' ' 54' ' ' ASP . 14.7 tt0 -53.63 -25.73 19.02 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.182 -0.949 . . . . 0.0 109.404 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.464 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 0.7 OUTLIER -74.9 -35.77 62.23 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.287 -0.883 . . . . 0.0 109.707 -179.869 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.734 HG23 ' OE1' ' A' ' 49' ' ' GLU . 54.6 t -65.55 -56.35 15.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.222 -0.924 . . . . 0.0 109.729 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.406 HG23 ' CB ' ' A' ' 83' ' ' ALA . 76.9 t -67.44 -27.98 40.55 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.317 -0.864 . . . . 0.0 109.757 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.521 ' O ' ' CG ' ' A' ' 58' ' ' GLU . 29.4 m-20 -76.79 -24.14 52.87 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.122 -0.986 . . . . 0.0 109.343 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' A' ' 51' ' ' GLU . 2.1 tmtt? -80.53 -48.29 12.97 Favored 'General case' 0 C--N 1.306 -1.299 0 O-C-N 121.262 -0.899 . . . . 0.0 109.775 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.639 HG21 ' CG1' ' A' ' 80' ' ' VAL . 21.3 m -71.45 -41.45 73.02 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 O-C-N 121.055 -1.028 . . . . 0.0 109.351 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.463 ' N ' HG23 ' A' ' 56' ' ' VAL . 60.5 tpp -68.87 -24.37 64.33 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.518 -0.739 . . . . 0.0 109.089 179.611 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.521 ' CG ' ' O ' ' A' ' 54' ' ' ASP . 15.8 mt-10 -77.24 -53.57 7.56 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.255 -0.903 . . . . 0.0 109.644 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.481 ' HA ' ' HB2' ' A' ' 62' ' ' GLU . 48.9 m -63.04 -31.62 72.8 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.376 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.63 HD22 ' O ' ' A' ' 29' ' ' LYS . 9.7 mt -63.82 -54.01 41.83 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.505 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -80.59 -2.52 46.67 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.387 -0.821 . . . . 0.0 109.628 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.481 ' HB2' ' HA ' ' A' ' 59' ' ' THR . 3.5 tt0 -72.57 -45.59 58.49 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.182 -0.949 . . . . 0.0 109.794 -179.673 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.532 ' HB3' ' CE ' ' A' ' 29' ' ' LYS . 58.1 t0 -113.67 -56.08 2.44 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.335 -0.853 . . . . 0.0 109.616 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.76 -45.1 3.45 Favored Glycine 0 N--CA 1.489 2.22 0 N-CA-C 109.434 -1.466 . . . . 0.0 109.434 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -108.17 72.65 0.85 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.315 -1.109 . . . . 0.0 109.33 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -134.01 162.86 24.54 Favored Glycine 0 N--CA 1.486 1.992 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -93.43 133.13 37.02 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.226 -1.161 . . . . 0.0 109.7 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.451 ' SG ' ' OE2' ' A' ' 72' ' ' GLU . 74.1 m -119.9 161.39 20.94 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.327 -0.858 . . . . 0.0 109.005 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -98.83 -177.52 3.67 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.149 -0.97 . . . . 0.0 109.084 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.51 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 0.9 OUTLIER -83.64 -28.71 28.23 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.325 -0.86 . . . . 0.0 109.331 179.75 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.531 ' HG3' ' N ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -81.35 -27.52 34.88 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.302 -0.874 . . . . 0.0 110.125 -179.778 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.574 ' HG3' ' N ' ' A' ' 73' ' ' PHE . 3.2 pt-20 -73.83 -47.19 40.23 Favored 'General case' 0 C--N 1.308 -1.225 0 O-C-N 120.859 -1.15 . . . . 0.0 108.749 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.732 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -65.41 -26.96 68.21 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 107.915 -1.142 . . . . 0.0 107.915 178.777 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.714 ' CE ' HD22 ' A' ' 10' ' ' LEU . 0.3 OUTLIER -66.6 -52.89 40.29 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.599 -0.688 . . . . 0.0 109.706 -179.757 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.485 ' O ' ' HG3' ' A' ' 79' ' ' MET . . . -71.07 -20.7 62.33 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.23 -0.919 . . . . 0.0 109.193 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.714 ' O ' HG22 ' A' ' 80' ' ' VAL . 1.5 m-85 -76.57 -30.79 57.19 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.242 -0.911 . . . . 0.0 109.309 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 1.074 HG12 ' HE2' ' B' ' 7' ' ' MET . 87.3 t -74.76 -26.87 19.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.147 -0.971 . . . . 0.0 109.501 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.87 -48.85 12.81 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.217 -0.927 . . . . 0.0 110.055 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.485 ' HG3' ' O ' ' A' ' 75' ' ' ALA . 0.4 OUTLIER -52.74 -45.98 67.26 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.205 -0.935 . . . . 0.0 110.38 -179.473 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.733 HG21 HD13 ' A' ' 36' ' ' ILE . 7.3 m -71.2 -40.49 74.56 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.465 0 O-C-N 121.127 -0.983 . . . . 0.0 110.629 -179.152 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.461 HG22 HD11 ' B' ' 11' ' ' ILE . 4.2 m -74.35 -1.99 23.32 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.908 -1.12 . . . . 0.0 109.487 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.411 HG21 ' HG3' ' B' ' 74' ' ' MET . 73.4 p -124.78 -8.78 7.29 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.276 -0.89 . . . . 0.0 109.528 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.596 ' HB2' HG11 ' A' ' 52' ' ' VAL . . . . . . . . 0 N--CA 1.489 1.483 0 O-C-N 121.196 -0.94 . . . . 0.0 109.439 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . 0.454 ' O ' ' HB3' ' B' ' 5' ' ' LYS . 1.0 OUTLIER . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.568 ' HB3' HG22 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -80.31 -63.23 1.46 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.256 -0.903 . . . . 0.0 109.862 -179.781 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.59 HD22 ' CD1' ' A' ' 35' ' ' LEU . 6.2 tp -70.72 -50.76 32.84 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.403 -0.811 . . . . 0.0 109.787 -179.583 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.539 ' O ' ' CG2' ' B' ' 8' ' ' VAL . 12.8 tm-20 -51.17 -36.9 43.39 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 121.326 -0.859 . . . . 0.0 110.404 -178.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.685 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 0.1 OUTLIER -81.17 -37.94 27.93 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.765 -1.209 . . . . 0.0 109.707 -179.758 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.582 ' HB1' ' HB3' ' A' ' 9' ' ' ALA . . . -80.36 -69.25 0.61 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.28 -0.888 . . . . 0.0 109.848 -179.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . 1.074 ' HE2' HG12 ' A' ' 77' ' ' VAL . 1.1 tpt -42.47 -51.93 4.85 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.316 -0.865 . . . . 0.0 109.542 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.539 ' CG2' ' O ' ' B' ' 4' ' ' GLU . 18.1 t -66.07 -36.21 76.9 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.601 0 O-C-N 121.37 -0.832 . . . . 0.0 109.314 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.685 ' HB2' ' O ' ' B' ' 5' ' ' LYS . . . -52.61 -40.51 62.79 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.978 -1.076 . . . . 0.0 108.374 179.071 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.718 HD22 ' CE ' ' B' ' 74' ' ' MET . 0.8 OUTLIER -56.01 -45.72 78.99 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 178.9 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.488 ' HB ' ' O ' ' B' ' 8' ' ' VAL . 1.2 mt -52.51 -36.19 21.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 178.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -58.56 -56.35 23.32 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.407 -0.808 . . . . 0.0 109.818 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . 0.535 HG22 ' HB3' ' A' ' 2' ' ' GLU . 76.4 t -46.41 -32.17 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.143 -0.973 . . . . 0.0 109.68 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.99 ' CZ ' HD23 ' B' ' 27' ' ' LEU . 32.1 t80 -62.65 -47.58 83.1 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.227 -0.921 . . . . 0.0 109.718 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . 0.433 ' O ' ' CG ' ' B' ' 15' ' ' HIS . 0.0 OUTLIER -75.38 -2.72 29.78 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.172 -0.955 . . . . 0.0 109.271 -179.779 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.92 -32.15 12.2 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.168 -0.958 . . . . 0.0 109.141 179.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.477 ' CD2' ' CD2' ' B' ' 35' ' ' LEU . 3.4 m-30 -102.92 -57.13 2.1 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.39 -0.819 . . . . 0.0 109.166 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . 0.519 ' CB ' ' CD2' ' B' ' 27' ' ' LEU . 2.8 t . . . . . 0 N--CA 1.491 1.597 0 O-C-N 121.323 -0.86 . . . . 0.0 109.098 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 19.5 m170 . . . . . 0 N--CA 1.493 1.684 0 CA-C-O 121.144 0.497 . . . . 0.0 109.869 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.55 136.31 18.24 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.199 -0.938 . . . . 0.0 109.165 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.99 HD23 ' CZ ' ' B' ' 14' ' ' PHE . 0.3 OUTLIER -98.63 -167.87 1.56 Allowed 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.209 -0.932 . . . . 0.0 109.573 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' B' ' 30' ' ' SER . 0.0 OUTLIER -150.43 129.17 12.37 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 179.767 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.628 ' O ' HD22 ' B' ' 60' ' ' LEU . 0.0 OUTLIER -43.52 -24.15 0.1 Allowed 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.077 -1.015 . . . . 0.0 110.166 -179.348 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.433 ' N ' ' O ' ' B' ' 28' ' ' LYS . 1.6 m -77.74 -45.19 25.42 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.859 -1.15 . . . . 0.0 109.894 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.509 ' O ' ' HG2' ' B' ' 34' ' ' GLU . 1.1 tp10 -74.36 -14.97 60.95 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.089 -1.007 . . . . 0.0 108.701 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.524 ' O ' HG13 ' B' ' 36' ' ' ILE . 20.3 tp -81.51 -47.94 12.48 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 107.334 -1.358 . . . . 0.0 107.334 178.373 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 18.2 ttmt -50.82 -42.37 58.3 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 178.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.555 ' HG3' ' N ' ' B' ' 35' ' ' LEU . 5.5 pt-20 -74.71 -44.12 51.61 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 179.495 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.561 HD11 HD13 ' A' ' 3' ' ' LEU . 0.2 OUTLIER -43.81 -41.2 4.87 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 179.525 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.717 HD13 HG21 ' B' ' 80' ' ' VAL . 0.7 OUTLIER -80.52 -63.96 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.285 -0.884 . . . . 0.0 109.888 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.503 ' HA ' ' HB2' ' B' ' 41' ' ' SER . 38.2 t-20 -66.26 -61.87 1.78 Allowed 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.106 -0.996 . . . . 0.0 110.072 -179.181 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.501 ' HB3' ' O ' ' B' ' 34' ' ' GLU . 10.4 t30 -43.61 -44.43 6.27 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.221 -0.924 . . . . 0.0 110.298 -179.41 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.461 ' HG2' ' HB3' ' A' ' 3' ' ' LEU . 0.5 OUTLIER -92.45 -75.79 0.48 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.982 -1.074 . . . . 0.0 110.814 -179.041 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.616 ' HG ' HD23 ' A' ' 3' ' ' LEU . 54.4 mt -56.61 -95.17 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.357 0 O-C-N 121.131 -0.981 . . . . 0.0 110.069 -178.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.503 ' HB2' ' HA ' ' B' ' 37' ' ' ASN . 39.1 t 42.31 74.1 0.12 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.196 -0.94 . . . . 0.0 109.667 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -148.98 -46.35 0.14 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.093 -1.004 . . . . 0.0 109.867 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -98.19 91.12 5.1 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.134 -0.979 . . . . 0.0 109.235 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.78 69.68 1.29 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.319 -0.863 . . . . 0.0 109.46 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -130.05 -51.31 1.12 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.225 -0.922 . . . . 0.0 109.584 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 51.4 mp0 -119.29 68.07 0.8 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.418 -0.801 . . . . 0.0 109.433 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 3.6 mt -64.62 127.9 26.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.2 -0.937 . . . . 0.0 109.55 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -98.64 -37.51 9.48 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.236 -0.915 . . . . 0.0 109.231 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.744 ' OE1' HG23 ' B' ' 52' ' ' VAL . 15.0 mm-40 -94.82 61.93 2.63 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.28 -0.887 . . . . 0.0 109.292 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . 0.461 ' O ' ' HB2' ' B' ' 54' ' ' ASP . 14.8 tt0 -53.71 -25.59 19.14 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.246 -0.909 . . . . 0.0 109.402 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.478 ' O ' ' HB2' ' B' ' 55' ' ' LYS . 0.7 OUTLIER -74.97 -35.75 62.08 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.31 -0.869 . . . . 0.0 109.719 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.744 HG23 ' OE1' ' B' ' 49' ' ' GLU . 54.5 t -65.45 -56.46 15.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.094 -1.004 . . . . 0.0 109.713 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 77.4 t -67.59 -27.83 39.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.253 -0.904 . . . . 0.0 109.664 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . 0.525 ' O ' ' CG ' ' B' ' 58' ' ' GLU . 29.6 m-20 -76.93 -24.14 52.42 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.285 -0.884 . . . . 0.0 109.163 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . 0.478 ' HB2' ' O ' ' B' ' 51' ' ' GLU . 2.1 tmtt? -80.56 -48.34 12.87 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.239 -0.913 . . . . 0.0 109.739 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.653 HG21 ' CG1' ' B' ' 80' ' ' VAL . 21.4 m -71.42 -41.33 73.34 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 O-C-N 121.025 -1.047 . . . . 0.0 109.414 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.465 ' N ' HG23 ' B' ' 56' ' ' VAL . 60.5 tpp -69.1 -24.32 64.12 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.418 -0.801 . . . . 0.0 109.008 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . 0.525 ' CG ' ' O ' ' B' ' 54' ' ' ASP . 15.7 mt-10 -77.24 -53.54 7.59 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.297 -0.877 . . . . 0.0 109.597 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . 0.485 ' HA ' ' HB2' ' B' ' 62' ' ' GLU . 49.5 m -63.11 -31.56 72.73 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 179.412 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.628 HD22 ' O ' ' B' ' 29' ' ' LYS . 9.6 mt -63.91 -53.92 42.87 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 179.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -80.56 -2.59 46.89 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.387 -0.821 . . . . 0.0 109.685 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.485 ' HB2' ' HA ' ' B' ' 59' ' ' THR . 3.5 tt0 -72.52 -45.55 58.83 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.202 -0.937 . . . . 0.0 109.744 -179.638 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.523 ' HB3' ' CE ' ' B' ' 29' ' ' LYS . 58.3 t0 -113.75 -56.04 2.44 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.244 -0.91 . . . . 0.0 109.65 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.86 -45.33 3.5 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -108.07 72.62 0.85 Allowed 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.202 -1.175 . . . . 0.0 109.366 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -133.95 162.81 24.52 Favored Glycine 0 N--CA 1.486 2.008 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -93.48 133.17 37.04 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.181 -1.188 . . . . 0.0 109.728 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.455 ' SG ' ' OE2' ' B' ' 72' ' ' GLU . 73.9 m -119.83 161.45 20.78 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.337 -0.852 . . . . 0.0 108.971 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -98.86 -177.55 3.68 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.207 -0.933 . . . . 0.0 109.139 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.512 ' HA ' ' CE2' ' B' ' 14' ' ' PHE . 0.9 OUTLIER -83.57 -28.59 28.44 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.405 -0.809 . . . . 0.0 109.316 179.771 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.532 ' HG3' ' N ' ' B' ' 72' ' ' GLU . 0.0 OUTLIER -81.42 -27.56 34.67 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.309 -0.87 . . . . 0.0 110.166 -179.781 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.587 ' HG3' ' N ' ' B' ' 73' ' ' PHE . 3.2 pt-20 -74.01 -46.96 40.32 Favored 'General case' 0 C--N 1.307 -1.25 0 O-C-N 120.909 -1.119 . . . . 0.0 108.727 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.734 ' O ' HG23 ' B' ' 77' ' ' VAL . 0.0 OUTLIER -65.47 -27.12 68.27 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 178.724 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.718 ' CE ' HD22 ' B' ' 10' ' ' LEU . 0.3 OUTLIER -66.53 -52.94 40.4 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.587 -0.696 . . . . 0.0 109.687 -179.749 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.472 ' O ' ' HG3' ' B' ' 79' ' ' MET . . . -71.11 -20.61 62.31 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.205 -0.934 . . . . 0.0 109.229 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.722 ' O ' HG22 ' B' ' 80' ' ' VAL . 1.5 m-85 -76.61 -30.81 57.08 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.314 -0.866 . . . . 0.0 109.259 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 1.023 HG12 ' HE2' ' A' ' 7' ' ' MET . 87.8 t -74.77 -26.82 19.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.274 -0.891 . . . . 0.0 109.484 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.96 -48.87 12.7 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.215 -0.928 . . . . 0.0 110.087 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . 0.472 ' HG3' ' O ' ' B' ' 75' ' ' ALA . 0.4 OUTLIER -52.75 -46.05 67.31 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.211 -0.931 . . . . 0.0 110.282 -179.469 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.722 HG22 ' O ' ' B' ' 76' ' ' PHE . 7.4 m -71.11 -40.6 75.48 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 O-C-N 121.131 -0.981 . . . . 0.0 110.632 -179.137 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.415 HG22 HD11 ' A' ' 11' ' ' ILE . 4.2 m -74.29 -2.02 23.26 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.914 -1.116 . . . . 0.0 109.49 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 72.9 p -124.79 -8.68 7.29 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.247 -0.908 . . . . 0.0 109.619 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.592 ' HB2' HG11 ' B' ' 52' ' ' VAL . . . . . . . . 0 N--CA 1.49 1.572 0 O-C-N 121.154 -0.966 . . . . 0.0 109.448 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . 0.448 ' CB ' ' OE1' ' B' ' 39' ' ' GLU . 33.1 p . . . . . 0 N--CA 1.49 1.532 0 CA-C-O 121.349 0.595 . . . . 0.0 109.587 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.749 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 10.4 mm-40 -73.0 -37.4 66.99 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.425 -0.797 . . . . 0.0 109.567 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.774 HD22 HD12 ' B' ' 35' ' ' LEU . 4.7 tp -68.84 -41.64 78.23 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.154 -0.966 . . . . 0.0 110.281 -179.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.639 ' O ' HG23 ' A' ' 8' ' ' VAL . 1.6 tm-20 -71.99 -62.67 1.34 Allowed 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.081 -1.012 . . . . 0.0 110.601 -178.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.798 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 10.9 ptmt -60.67 -37.13 80.55 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.033 -1.042 . . . . 0.0 110.698 -178.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.749 ' HB3' ' O ' ' A' ' 2' ' ' GLU . . . -80.05 -60.4 2.35 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.904 -1.123 . . . . 0.0 110.275 -179.186 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.689 ' HG3' HG21 ' B' ' 81' ' ' THR . 10.6 tpt -51.74 -56.36 14.26 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.07 -1.019 . . . . 0.0 109.188 -179.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 4' ' ' GLU . 8.3 t -60.02 -27.1 37.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.371 -0.831 . . . . 0.0 109.029 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.798 ' HB2' ' O ' ' A' ' 5' ' ' LYS . . . -64.01 -43.94 94.12 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.456 -0.777 . . . . 0.0 109.346 179.61 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.8 HD22 ' HE2' ' A' ' 74' ' ' MET . 0.1 OUTLIER -56.69 -35.13 68.12 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.331 -0.856 . . . . 0.0 108.953 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.642 ' N ' HD12 ' A' ' 11' ' ' ILE . 1.5 mp -65.1 -33.22 62.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.315 -0.866 . . . . 0.0 108.957 179.493 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -67.73 -54.78 16.62 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.361 -0.837 . . . . 0.0 109.428 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.615 HG12 ' N ' ' A' ' 14' ' ' PHE . 0.6 OUTLIER -53.36 -55.08 14.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.282 -0.886 . . . . 0.0 109.06 179.837 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.687 ' CE1' HD12 ' A' ' 27' ' ' LEU . 93.9 t80 -43.73 -34.06 1.42 Allowed 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.62 -0.675 . . . . 0.0 110.094 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -81.15 -36.4 30.27 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.052 -1.03 . . . . 0.0 109.89 -179.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.87 -49.87 75.74 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.102 -0.999 . . . . 0.0 109.854 -179.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.623 ' CG ' HD21 ' A' ' 35' ' ' LEU . 57.6 m-85 -63.35 -40.58 97.66 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.176 -0.952 . . . . 0.0 109.726 -179.627 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.8 t . . . . . 0 N--CA 1.489 1.493 0 O-C-N 121.128 -0.983 . . . . 0.0 109.456 179.892 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.5 ' O ' ' CG ' ' A' ' 25' ' ' HIS . 51.8 t-80 . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 121.214 0.53 . . . . 0.0 109.635 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.2 pttp -149.04 146.19 27.63 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.036 -1.04 . . . . 0.0 109.741 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.687 HD12 ' CE1' ' A' ' 14' ' ' PHE . 4.0 mt -117.72 -162.4 0.87 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.342 -0.849 . . . . 0.0 109.128 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -137.33 139.95 41.18 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.2 -0.938 . . . . 0.0 109.354 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.531 ' O ' ' CD2' ' A' ' 60' ' ' LEU . 0.8 OUTLIER -57.44 -23.14 47.86 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.159 -0.963 . . . . 0.0 109.757 -179.709 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.87 -38.04 33.58 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.984 -1.073 . . . . 0.0 109.52 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.472 ' O ' ' HB2' ' A' ' 35' ' ' LEU . 2.6 tt0 -75.89 -20.35 58.12 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.126 -0.984 . . . . 0.0 108.783 179.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.498 ' O ' HG13 ' A' ' 36' ' ' ILE . 29.0 tp -80.26 -41.83 24.3 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 178.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.819 ' HG3' HD13 ' A' ' 60' ' ' LEU . 15.2 tttt -57.69 -38.3 74.93 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 178.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.565 ' HG3' ' N ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -80.46 -31.82 37.33 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 179.648 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.774 HD12 HD22 ' B' ' 3' ' ' LEU . 0.0 OUTLIER -56.78 -43.18 80.62 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.771 -0.581 . . . . 0.0 109.877 -179.921 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.863 HG21 HG21 ' A' ' 80' ' ' VAL . 0.4 OUTLIER -80.14 -50.64 17.28 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.122 -0.986 . . . . 0.0 110.012 -179.271 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.484 ' O ' ' HB2' ' A' ' 41' ' ' SER . 18.0 t30 -69.49 -3.38 14.36 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.259 -0.901 . . . . 0.0 110.465 -179.123 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.5 ' HB2' ' O ' ' A' ' 34' ' ' GLU . 66.3 t30 -106.61 -67.3 0.95 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.957 -1.09 . . . . 0.0 109.743 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.503 ' HB3' ' HB3' ' B' ' 3' ' ' LEU . 5.7 mm-40 -58.62 -65.6 0.63 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.18 -0.95 . . . . 0.0 109.679 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.425 ' HA ' HD23 ' A' ' 40' ' ' LEU . 28.8 mt -66.92 -93.39 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.187 -0.945 . . . . 0.0 109.622 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.484 ' HB2' ' O ' ' A' ' 37' ' ' ASN . 36.7 t 44.44 39.74 3.37 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.957 -1.089 . . . . 0.0 109.874 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -136.48 16.17 3.16 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.19 -0.944 . . . . 0.0 109.419 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -138.48 39.43 2.24 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.341 -0.849 . . . . 0.0 109.358 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.13 60.28 0.77 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.207 -0.933 . . . . 0.0 109.707 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -87.25 -72.66 0.5 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.227 -0.921 . . . . 0.0 109.45 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.475 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 0.2 OUTLIER -126.58 -33.0 2.58 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.257 -0.902 . . . . 0.0 108.974 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.475 ' HB ' ' O ' ' A' ' 46' ' ' GLU . 14.4 mt 64.99 125.07 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.313 -0.867 . . . . 0.0 109.544 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.35 -28.06 13.47 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.258 -0.901 . . . . 0.0 109.245 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.724 ' OE1' HG23 ' A' ' 52' ' ' VAL . 5.7 mm-40 -99.06 68.65 1.7 Allowed 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.31 -0.869 . . . . 0.0 109.362 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.543 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 10.8 tt0 -56.84 -23.63 45.39 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.255 -0.903 . . . . 0.0 109.331 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.453 ' O ' ' CB ' ' A' ' 55' ' ' LYS . 2.5 tt0 -80.11 -32.28 39.1 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.22 -0.925 . . . . 0.0 109.947 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.732 ' O ' HG22 ' A' ' 56' ' ' VAL . 61.4 t -70.87 -47.79 60.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.067 -1.021 . . . . 0.0 109.617 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.53 HG22 HG12 ' A' ' 80' ' ' VAL . 63.4 t -76.52 -31.3 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.209 -0.932 . . . . 0.0 109.16 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.543 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 27.6 t70 -79.5 -17.69 53.58 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 179.185 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.453 ' CB ' ' O ' ' A' ' 51' ' ' GLU . 0.9 OUTLIER -80.2 -49.25 11.91 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.372 -0.83 . . . . 0.0 109.073 179.637 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.732 HG22 ' O ' ' A' ' 52' ' ' VAL . 2.4 m -74.58 -35.07 36.97 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 O-C-N 121.084 -1.01 . . . . 0.0 108.592 179.43 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.422 ' HB2' ' O ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -72.12 -22.52 61.32 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 179.244 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.457 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 10.2 mt-10 -75.31 -55.12 6.02 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.451 -0.781 . . . . 0.0 109.165 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.1 m -60.75 -37.33 81.45 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 107.729 -1.212 . . . . 0.0 107.729 179.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.819 HD13 ' HG3' ' A' ' 33' ' ' LYS . 14.3 mt -55.69 -57.0 13.8 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -80.4 -1.21 40.39 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.571 -0.706 . . . . 0.0 109.677 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.9 -31.85 68.62 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.105 -0.997 . . . . 0.0 109.585 -179.694 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -132.55 -59.87 0.9 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.226 -0.921 . . . . 0.0 109.686 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 77.9 -5.46 53.27 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.866 -1.294 . . . . 0.0 109.866 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -132.5 37.98 3.47 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.044 -1.268 . . . . 0.0 109.548 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -120.78 -173.31 14.79 Favored Glycine 0 N--CA 1.486 2.024 0 N-CA-C 109.612 -1.395 . . . . 0.0 109.612 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -116.58 158.49 23.6 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.25 -1.147 . . . . 0.0 109.487 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 56.6 m -127.97 179.61 5.48 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.339 -0.851 . . . . 0.0 109.108 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -117.9 174.43 6.2 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.136 -0.978 . . . . 0.0 109.344 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.599 ' CE2' ' HG2' ' A' ' 71' ' ' GLN . 44.8 p90 -74.11 -30.62 62.42 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.326 -0.859 . . . . 0.0 109.14 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.599 ' HG2' ' CE2' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -79.28 -22.97 43.92 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.387 -0.821 . . . . 0.0 108.901 179.341 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.423 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -78.54 -50.34 11.74 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.396 -0.815 . . . . 0.0 109.206 179.85 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.623 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -66.05 -24.21 66.69 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.387 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.8 ' HE2' HD22 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -75.32 -52.22 11.34 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.536 -0.727 . . . . 0.0 109.365 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.489 ' O ' ' HG3' ' A' ' 79' ' ' MET . . . -70.8 -16.21 62.72 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.177 -0.952 . . . . 0.0 108.731 179.631 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.706 ' O ' HG22 ' A' ' 80' ' ' VAL . 1.2 m-85 -80.59 -42.85 21.56 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.45 -0.781 . . . . 0.0 109.543 179.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 73' ' ' PHE . 97.1 t -67.49 -29.14 44.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.271 -0.893 . . . . 0.0 109.741 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.442 ' O ' ' OG1' ' A' ' 82' ' ' THR . 5.9 m -76.19 -39.09 55.6 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.119 -0.988 . . . . 0.0 109.783 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.535 ' HB3' ' CG1' ' A' ' 52' ' ' VAL . 0.1 OUTLIER -60.98 -50.73 72.2 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.277 -0.889 . . . . 0.0 110.036 -179.708 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.863 HG21 HG21 ' A' ' 36' ' ' ILE . 2.5 m -69.36 -39.32 78.73 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.394 0 O-C-N 121.149 -0.969 . . . . 0.0 110.11 -179.276 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.677 HG21 ' HG3' ' B' ' 7' ' ' MET . 25.5 m -67.2 -14.08 62.57 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.073 -1.017 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.486 ' HB ' ' HG2' ' B' ' 71' ' ' GLN . 2.2 p -103.94 -13.21 16.43 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.287 -0.883 . . . . 0.0 109.329 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.485 ' CB ' HG23 ' A' ' 53' ' ' VAL . . . . . . . . 0 N--CA 1.491 1.577 0 O-C-N 121.249 -0.907 . . . . 0.0 109.636 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . 0.435 ' CB ' ' OE1' ' A' ' 39' ' ' GLU . 33.4 p . . . . . 0 N--CA 1.489 1.522 0 CA-C-O 121.34 0.59 . . . . 0.0 109.634 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.755 ' O ' ' HB3' ' B' ' 6' ' ' ALA . 10.4 mm-40 -73.0 -37.35 67.0 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.407 -0.808 . . . . 0.0 109.53 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.774 HD22 HD12 ' A' ' 35' ' ' LEU . 4.7 tp -68.89 -41.71 77.93 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.089 -1.007 . . . . 0.0 110.258 -179.578 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.638 ' O ' HG23 ' B' ' 8' ' ' VAL . 1.6 tm-20 -71.94 -62.58 1.37 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.226 -0.921 . . . . 0.0 110.62 -178.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.798 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 11.0 ptmt -60.7 -37.2 80.86 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.024 -1.048 . . . . 0.0 110.753 -178.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.755 ' HB3' ' O ' ' B' ' 2' ' ' GLU . . . -79.89 -60.43 2.34 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.927 -1.108 . . . . 0.0 110.365 -179.294 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . 0.677 ' HG3' HG21 ' A' ' 81' ' ' THR . 10.6 tpt -51.64 -56.41 13.79 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.028 -1.045 . . . . 0.0 109.19 -179.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.638 HG23 ' O ' ' B' ' 4' ' ' GLU . 8.5 t -60.12 -27.07 38.2 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.552 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.798 ' HB2' ' O ' ' B' ' 5' ' ' LYS . . . -63.96 -43.96 94.22 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.417 -0.802 . . . . 0.0 109.293 179.635 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.798 HD22 ' HE2' ' B' ' 74' ' ' MET . 0.1 OUTLIER -56.68 -35.04 67.99 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.33 -0.856 . . . . 0.0 109.124 179.915 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.637 ' N ' HD12 ' B' ' 11' ' ' ILE . 1.5 mp -65.16 -33.05 61.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.197 -0.939 . . . . 0.0 109.001 179.425 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -67.8 -54.79 16.33 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.355 -0.841 . . . . 0.0 109.466 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . 0.611 HG12 ' N ' ' B' ' 14' ' ' PHE . 0.6 OUTLIER -53.47 -54.95 15.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.351 -0.843 . . . . 0.0 109.091 179.855 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.69 ' CE1' HD12 ' B' ' 27' ' ' LEU . 93.7 t80 -43.62 -34.24 1.39 Allowed 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.589 -0.694 . . . . 0.0 110.15 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -81.11 -36.35 30.45 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.075 -1.015 . . . . 0.0 109.848 -179.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.79 -49.97 75.35 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.157 -0.965 . . . . 0.0 109.846 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.627 ' CG ' HD21 ' B' ' 35' ' ' LEU . 57.9 m-85 -63.23 -40.64 98.01 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.142 -0.974 . . . . 0.0 109.8 -179.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 9.7 t . . . . . 0 N--CA 1.49 1.575 0 O-C-N 121.022 -1.048 . . . . 0.0 109.342 179.972 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . 0.501 ' O ' ' CG ' ' B' ' 25' ' ' HIS . 51.8 t-80 . . . . . 0 N--CA 1.489 1.491 0 CA-C-O 121.141 0.496 . . . . 0.0 109.677 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 3.2 pttp -149.03 146.25 27.67 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.136 -0.977 . . . . 0.0 109.645 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.69 HD12 ' CE1' ' B' ' 14' ' ' PHE . 3.9 mt -117.79 -162.44 0.88 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.231 -0.918 . . . . 0.0 109.084 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -137.36 140.0 41.15 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.151 -0.968 . . . . 0.0 109.269 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.536 ' O ' ' CD2' ' B' ' 60' ' ' LEU . 0.8 OUTLIER -57.44 -23.19 48.2 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.124 -0.985 . . . . 0.0 109.728 -179.725 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.84 -38.09 33.57 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.03 -1.044 . . . . 0.0 109.479 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.463 ' O ' ' HB2' ' B' ' 35' ' ' LEU . 2.6 tt0 -75.85 -20.24 58.27 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.199 -0.938 . . . . 0.0 108.853 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.484 ' O ' HG13 ' B' ' 36' ' ' ILE . 29.1 tp -80.29 -41.72 24.42 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 178.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.816 ' HG3' HD13 ' B' ' 60' ' ' LEU . 15.3 tttt -57.93 -38.14 75.39 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 178.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.559 ' HG3' ' N ' ' B' ' 35' ' ' LEU . 0.0 OUTLIER -80.41 -31.88 37.56 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.534 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.774 HD12 HD22 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -56.83 -43.15 80.78 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.793 -0.567 . . . . 0.0 109.858 -179.866 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.879 HG21 HG21 ' B' ' 80' ' ' VAL . 0.4 OUTLIER -80.1 -50.52 17.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.128 -0.982 . . . . 0.0 110.098 -179.309 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.488 ' O ' ' HB2' ' B' ' 41' ' ' SER . 18.1 t30 -69.57 -3.27 14.12 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.241 -0.912 . . . . 0.0 110.507 -179.158 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' B' ' 34' ' ' GLU . 66.3 t30 -106.72 -67.32 0.95 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.974 -1.079 . . . . 0.0 109.631 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.5 ' HB3' ' HB3' ' A' ' 3' ' ' LEU . 5.7 mm-40 -58.58 -65.62 0.63 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.206 -0.934 . . . . 0.0 109.662 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.408 ' HA ' HD23 ' B' ' 40' ' ' LEU . 28.6 mt -66.82 -93.37 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.212 -0.93 . . . . 0.0 109.662 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.488 ' HB2' ' O ' ' B' ' 37' ' ' ASN . 36.6 t 44.45 39.71 3.37 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.047 -1.033 . . . . 0.0 109.829 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -136.54 16.19 3.15 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.128 -0.983 . . . . 0.0 109.322 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -138.41 39.4 2.26 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.366 -0.834 . . . . 0.0 109.439 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.11 60.22 0.77 Allowed 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.207 -0.933 . . . . 0.0 109.65 -179.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -87.24 -72.67 0.5 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.161 -0.962 . . . . 0.0 109.402 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . 0.473 ' O ' ' HB ' ' B' ' 47' ' ' ILE . 0.2 OUTLIER -126.57 -33.03 2.58 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.333 -0.855 . . . . 0.0 108.945 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.473 ' HB ' ' O ' ' B' ' 46' ' ' GLU . 14.4 mt 65.07 125.09 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.301 -0.874 . . . . 0.0 109.473 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.37 -28.04 13.47 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.283 -0.885 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.73 ' OE1' HG23 ' B' ' 52' ' ' VAL . 5.8 mm-40 -99.05 68.7 1.71 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.295 -0.878 . . . . 0.0 109.387 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . 0.537 ' O ' ' CB ' ' B' ' 54' ' ' ASP . 10.8 tt0 -56.8 -23.65 45.04 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.265 -0.897 . . . . 0.0 109.38 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.45 ' O ' ' CB ' ' B' ' 55' ' ' LYS . 2.5 tt0 -80.15 -32.19 38.92 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.199 -0.938 . . . . 0.0 109.877 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.737 ' O ' HG22 ' B' ' 56' ' ' VAL . 63.3 t -71.05 -47.79 59.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.138 -0.976 . . . . 0.0 109.468 -179.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.519 HG22 HG12 ' B' ' 80' ' ' VAL . 63.6 t -76.37 -31.39 20.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.258 -0.901 . . . . 0.0 109.186 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . 0.537 ' CB ' ' O ' ' B' ' 50' ' ' GLN . 27.5 t70 -79.55 -17.61 53.61 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 179.262 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . 0.45 ' CB ' ' O ' ' B' ' 51' ' ' GLU . 0.9 OUTLIER -80.2 -49.3 11.83 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.354 -0.841 . . . . 0.0 109.094 179.626 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.737 HG22 ' O ' ' B' ' 52' ' ' VAL . 2.5 m -74.48 -35.11 37.72 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 O-C-N 121.238 -0.914 . . . . 0.0 108.618 179.384 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.412 ' HB2' ' O ' ' B' ' 53' ' ' VAL . 0.0 OUTLIER -72.07 -22.51 61.36 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 179.268 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . 0.449 ' HB2' ' O ' ' B' ' 54' ' ' ASP . 10.1 mt-10 -75.37 -55.07 6.06 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.444 -0.785 . . . . 0.0 109.171 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 3.1 m -60.73 -37.37 81.54 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 179.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.816 HD13 ' HG3' ' B' ' 33' ' ' LYS . 14.3 mt -55.72 -57.01 13.78 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 178.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -80.37 -1.25 40.45 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.629 -0.669 . . . . 0.0 109.612 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.92 -31.75 68.46 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.154 -0.966 . . . . 0.0 109.556 -179.601 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -132.62 -59.92 0.89 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.231 -0.918 . . . . 0.0 109.56 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 77.89 -5.5 52.98 Favored Glycine 0 N--CA 1.489 2.206 0 N-CA-C 109.889 -1.285 . . . . 0.0 109.889 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -132.39 37.88 3.49 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.094 -1.239 . . . . 0.0 109.569 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -120.81 -173.33 14.78 Favored Glycine 0 N--CA 1.488 2.12 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -116.53 158.43 23.64 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.21 -1.17 . . . . 0.0 109.508 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 56.7 m -127.95 179.58 5.49 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.328 -0.858 . . . . 0.0 109.122 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -117.89 174.46 6.18 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.136 -0.977 . . . . 0.0 109.3 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.603 ' CE2' ' HG2' ' B' ' 71' ' ' GLN . 44.8 p90 -74.16 -30.55 62.32 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.35 -0.844 . . . . 0.0 109.14 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.603 ' HG2' ' CE2' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -79.42 -22.92 43.61 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.36 -0.838 . . . . 0.0 108.774 179.487 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.425 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 0.1 OUTLIER -78.54 -50.46 11.53 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.428 -0.795 . . . . 0.0 109.169 179.902 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.624 ' O ' HG23 ' B' ' 77' ' ' VAL . 0.0 OUTLIER -66.01 -24.12 66.7 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 179.35 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.798 ' HE2' HD22 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -75.31 -52.24 11.31 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.53 -0.731 . . . . 0.0 109.407 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.487 ' O ' ' HG3' ' B' ' 79' ' ' MET . . . -70.65 -16.37 62.81 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.216 -0.927 . . . . 0.0 108.751 179.582 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.707 ' O ' HG22 ' B' ' 80' ' ' VAL . 1.2 m-85 -80.5 -42.85 21.77 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.384 -0.823 . . . . 0.0 109.591 179.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.624 HG23 ' O ' ' B' ' 73' ' ' PHE . 98.2 t -67.51 -29.13 44.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.299 -0.875 . . . . 0.0 109.689 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . 0.406 ' HA ' ' CE ' ' A' ' 7' ' ' MET . 5.9 m -76.2 -39.08 55.56 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.261 -0.899 . . . . 0.0 109.786 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . 0.535 ' HB3' ' CG1' ' B' ' 52' ' ' VAL . 0.1 OUTLIER -60.86 -50.86 71.73 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.302 -0.874 . . . . 0.0 110.006 -179.74 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.879 HG21 HG21 ' B' ' 36' ' ' ILE . 2.6 m -69.23 -39.36 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.178 -0.951 . . . . 0.0 110.188 -179.297 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.689 HG21 ' HG3' ' A' ' 7' ' ' MET . 25.5 m -67.19 -14.11 62.59 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.992 -1.067 . . . . 0.0 109.335 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.493 ' HB ' ' HG2' ' A' ' 71' ' ' GLN . 2.2 p -103.85 -13.28 16.46 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.285 -0.884 . . . . 0.0 109.286 179.66 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.498 ' CB ' HG23 ' B' ' 53' ' ' VAL . . . . . . . . 0 N--CA 1.49 1.547 0 O-C-N 121.217 -0.927 . . . . 0.0 109.702 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.955 ' HB2' HG22 ' B' ' 13' ' ' VAL . 55.4 mm-40 -73.99 -43.07 59.32 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.275 -0.89 . . . . 0.0 109.435 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.806 HD22 ' CD1' ' B' ' 35' ' ' LEU . 3.3 tp -65.56 -38.98 91.11 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.347 -0.845 . . . . 0.0 110.053 -179.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.486 ' HA ' ' CD ' ' B' ' 39' ' ' GLU . 1.1 tm-20 -66.33 -56.28 11.89 Favored 'General case' 0 C--N 1.295 -1.766 0 O-C-N 120.939 -1.101 . . . . 0.0 110.32 -178.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.812 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 8.6 ptmt -62.06 -28.82 69.87 Favored 'General case' 0 C--N 1.297 -1.688 0 O-C-N 120.643 -1.286 . . . . 0.0 109.673 -179.484 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.825 ' CB ' ' HB3' ' B' ' 9' ' ' ALA . . . -81.33 -73.58 0.37 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.106 -0.996 . . . . 0.0 110.361 -179.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.668 ' SD ' HG21 ' B' ' 81' ' ' THR . 9.6 tpp -49.5 -54.47 17.72 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.599 -0.688 . . . . 0.0 109.776 -179.519 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.797 HG23 ' OE2' ' B' ' 39' ' ' GLU . 6.6 t -62.34 -29.8 47.54 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.576 0 O-C-N 121.405 -0.809 . . . . 0.0 110.231 -179.072 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.816 ' HB3' ' CB ' ' B' ' 6' ' ' ALA . . . -64.86 -37.47 87.73 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.656 -1.278 . . . . 0.0 108.935 179.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.799 HD22 ' CE ' ' A' ' 74' ' ' MET . 0.2 OUTLIER -55.64 -50.51 70.02 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.301 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 28.0 mm -49.2 -34.34 7.01 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 178.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.459 ' HB3' ' O ' ' A' ' 9' ' ' ALA . 36.5 t0 -57.71 -53.63 56.0 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 179.294 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.957 HG22 ' HB2' ' B' ' 2' ' ' GLU . 67.4 t -48.25 -30.96 2.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.328 -0.857 . . . . 0.0 109.032 179.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.802 ' CE1' HD12 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -61.31 -47.62 85.1 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.272 -0.893 . . . . 0.0 109.529 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -64.9 -10.75 31.1 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.248 -0.907 . . . . 0.0 109.545 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -93.93 -71.26 0.67 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.241 -0.912 . . . . 0.0 109.697 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -67.75 -51.93 43.32 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.327 -0.858 . . . . 0.0 109.729 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.501 ' HB2' ' HG ' ' A' ' 27' ' ' LEU . 8.3 t . . . . . 0 N--CA 1.49 1.55 0 O-C-N 121.146 -0.971 . . . . 0.0 109.817 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 30.4 m80 . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 121.327 0.584 . . . . 0.0 109.538 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -150.04 129.61 13.1 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.249 -0.907 . . . . 0.0 109.258 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.802 HD12 ' CE1' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -105.12 -157.1 0.6 Allowed 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.364 -0.835 . . . . 0.0 109.412 -179.781 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.521 ' O ' ' CB ' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -145.53 170.51 16.26 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.305 -0.872 . . . . 0.0 108.939 179.838 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.487 ' HD2' ' HA3' ' A' ' 66' ' ' GLY . 4.1 mtpm? -79.01 -28.35 43.34 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.169 -0.957 . . . . 0.0 109.097 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.5 t -79.41 -35.45 40.57 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.459 -0.775 . . . . 0.0 109.422 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.555 ' HB3' ' CD2' ' A' ' 27' ' ' LEU . 0.4 OUTLIER -86.85 -21.1 26.6 Favored 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 179.197 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.53 HD21 ' CD2' ' A' ' 76' ' ' PHE . 23.3 tp -78.77 -35.19 44.87 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 107.427 -1.324 . . . . 0.0 107.427 178.307 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.673 ' HG3' HD13 ' A' ' 60' ' ' LEU . 7.3 ttpp -62.37 -44.28 96.83 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 178.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.539 ' HG3' ' N ' ' A' ' 35' ' ' LEU . 5.9 pt-20 -68.42 -40.28 81.28 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 179.159 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.773 ' CD1' HD22 ' B' ' 3' ' ' LEU . 0.1 OUTLIER -49.89 -50.91 44.25 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 179.154 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.863 HG23 HD22 ' A' ' 40' ' ' LEU . 0.7 OUTLIER -64.51 -56.92 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 CA-C-O 121.813 0.816 . . . . 0.0 109.196 179.66 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.51 ' O ' ' HB3' ' A' ' 41' ' ' SER . 4.8 t30 -63.87 1.94 0.57 Allowed 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.441 -0.787 . . . . 0.0 110.615 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -87.01 -52.05 5.67 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.697 -1.252 . . . . 0.0 108.713 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.879 ' HG2' HD12 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -106.14 -49.68 3.32 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 179.352 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.879 HD12 ' HG2' ' A' ' 39' ' ' GLU . 9.2 mp -58.29 -44.61 88.59 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.596 -0.69 . . . . 0.0 109.945 -178.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.51 ' HB3' ' O ' ' A' ' 37' ' ' ASN . 2.1 t -41.63 -28.18 0.13 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.531 -0.731 . . . . 0.0 109.562 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.442 ' N ' ' O ' ' A' ' 40' ' ' LEU . 1.5 t-80 -58.41 -54.34 48.09 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.203 -0.936 . . . . 0.0 109.47 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.521 ' CD1' ' N ' ' A' ' 43' ' ' PHE . 0.8 OUTLIER -75.44 0.69 16.21 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.134 -0.979 . . . . 0.0 109.732 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.44 ' HB2' ' HA ' ' A' ' 41' ' ' SER . 2.6 tt -75.06 106.02 6.37 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.19 -0.944 . . . . 0.0 109.632 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.49 -45.1 0.11 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.403 -0.811 . . . . 0.0 109.245 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -123.41 -40.97 2.32 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.324 -0.86 . . . . 0.0 109.04 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.421 HG23 ' O ' ' A' ' 83' ' ' ALA . 70.0 mt 60.16 85.77 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.479 -0.763 . . . . 0.0 109.811 179.604 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.7 tttm -61.57 -41.9 98.07 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.2 -0.938 . . . . 0.0 108.98 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.872 ' OE1' HG23 ' A' ' 52' ' ' VAL . 8.3 mm-40 -89.89 77.23 7.0 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.456 -0.778 . . . . 0.0 109.083 179.616 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.452 ' O ' ' HB2' ' A' ' 54' ' ' ASP . 4.9 tt0 -62.92 -26.72 68.94 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.266 -0.896 . . . . 0.0 109.694 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -76.41 -28.94 56.87 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.088 -1.008 . . . . 0.0 109.661 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.872 HG23 ' OE1' ' A' ' 49' ' ' GLU . 81.8 t -72.89 -51.29 27.68 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.126 -0.984 . . . . 0.0 109.609 -179.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.456 HG22 HG12 ' A' ' 80' ' ' VAL . 77.4 t -72.55 -28.0 27.09 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.176 -0.953 . . . . 0.0 109.309 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.476 ' O ' ' HG3' ' A' ' 58' ' ' GLU . 1.2 m-20 -77.29 -20.15 55.46 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.146 -0.971 . . . . 0.0 108.734 179.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.06 -53.72 6.72 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.328 -0.858 . . . . 0.0 109.023 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.715 HG21 HG13 ' A' ' 80' ' ' VAL . 11.4 m -67.4 -41.0 85.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.098 -1.001 . . . . 0.0 108.84 179.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.41 ' N ' HG23 ' A' ' 56' ' ' VAL . 0.8 OUTLIER -66.86 -24.77 66.17 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.587 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.476 ' HG3' ' O ' ' A' ' 54' ' ' ASP . 0.3 OUTLIER -72.41 -55.18 7.46 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.415 -0.803 . . . . 0.0 109.214 179.623 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.63 -27.33 68.59 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.075 -1.016 . . . . 0.0 108.362 179.356 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.673 HD13 ' HG3' ' A' ' 33' ' ' LYS . 9.7 mt -65.77 -52.81 47.8 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.684 -0.635 . . . . 0.0 109.456 179.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.74 -14.87 61.2 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.538 -0.726 . . . . 0.0 110.001 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -66.1 -63.4 1.09 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.153 -0.967 . . . . 0.0 109.642 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.468 ' HB2' ' HE3' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -82.38 -68.91 0.66 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.348 -0.845 . . . . 0.0 109.623 -179.875 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 90.74 -39.88 3.05 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.531 -1.427 . . . . 0.0 109.531 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -124.36 49.45 1.8 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.232 -1.158 . . . . 0.0 109.335 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.487 ' HA3' ' HD2' ' A' ' 29' ' ' LYS . . . -108.94 -171.13 20.9 Favored Glycine 0 N--CA 1.486 1.991 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -124.78 142.18 51.59 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.252 -1.146 . . . . 0.0 109.586 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 56.1 m -113.42 162.68 15.82 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.257 -0.902 . . . . 0.0 109.372 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -92.68 172.29 8.45 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.218 -0.926 . . . . 0.0 109.455 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.615 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 24.8 p90 -70.13 -39.12 75.61 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.222 -0.924 . . . . 0.0 109.319 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.932 ' HA ' HG21 ' B' ' 82' ' ' THR . 0.0 OUTLIER -78.49 -29.31 46.63 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.274 -0.891 . . . . 0.0 109.381 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.87 -59.0 3.63 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.135 -0.978 . . . . 0.0 109.0 179.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.682 ' CD2' ' CE1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -51.23 -22.08 2.47 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.223 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.799 ' CE ' HD22 ' A' ' 10' ' ' LEU . 0.6 OUTLIER -74.56 -64.45 1.03 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.373 -0.829 . . . . 0.0 109.794 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.493 ' O ' ' HG2' ' A' ' 79' ' ' MET . . . -58.99 -15.28 12.29 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.426 -0.796 . . . . 0.0 109.571 -179.365 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.662 ' O ' HG22 ' A' ' 80' ' ' VAL . 0.1 OUTLIER -79.64 -46.85 16.42 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.496 -0.753 . . . . 0.0 109.345 179.673 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.593 HG11 HD21 ' A' ' 10' ' ' LEU . 76.6 t -63.97 -27.93 43.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.368 -0.832 . . . . 0.0 110.225 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.52 ' HA ' ' HE3' ' B' ' 7' ' ' MET . 16.4 m -80.2 -45.76 17.49 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.115 -0.991 . . . . 0.0 111.341 -178.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.518 ' SD ' ' CG1' ' A' ' 56' ' ' VAL . 5.3 ptm -56.77 -38.23 72.2 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.91 -1.119 . . . . 0.0 111.15 -178.373 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.825 ' HB ' HD23 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -77.73 -33.36 18.82 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.026 -1.046 . . . . 0.0 110.823 -179.12 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.673 HG21 ' SD ' ' B' ' 7' ' ' MET . 1.7 m -65.31 -13.87 59.47 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 120.726 -1.234 . . . . 0.0 109.628 -179.547 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.951 HG21 ' HA ' ' B' ' 71' ' ' GLN . 1.5 p -105.1 -14.68 15.31 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.221 -0.924 . . . . 0.0 109.426 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.579 ' HB2' HG11 ' A' ' 52' ' ' VAL . . . . . . . . 0 N--CA 1.492 1.625 0 O-C-N 121.329 -0.857 . . . . 0.0 109.453 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.488 1.45 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.957 ' HB2' HG22 ' A' ' 13' ' ' VAL . 55.6 mm-40 -73.88 -42.93 59.99 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.233 -0.917 . . . . 0.0 109.532 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.773 HD22 ' CD1' ' A' ' 35' ' ' LEU . 3.3 tp -65.61 -38.99 91.02 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.346 -0.847 . . . . 0.0 110.108 -179.608 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.479 ' HA ' ' OE2' ' A' ' 39' ' ' GLU . 1.1 tm-20 -66.34 -56.25 12.01 Favored 'General case' 0 C--N 1.294 -1.826 0 O-C-N 120.973 -1.079 . . . . 0.0 110.31 -178.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.794 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 8.6 ptmt -62.09 -28.77 69.85 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 120.704 -1.248 . . . . 0.0 109.694 -179.498 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.816 ' CB ' ' HB3' ' A' ' 9' ' ' ALA . . . -81.3 -73.54 0.37 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.119 -0.988 . . . . 0.0 110.33 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . 0.673 ' SD ' HG21 ' A' ' 81' ' ' THR . 9.5 tpp -49.62 -54.36 18.86 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.537 -0.727 . . . . 0.0 109.757 -179.417 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.773 HG23 ' OE2' ' A' ' 39' ' ' GLU . 6.7 t -62.52 -29.75 47.56 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.593 0 O-C-N 121.305 -0.872 . . . . 0.0 110.197 -179.028 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.825 ' HB3' ' CB ' ' A' ' 6' ' ' ALA . . . -64.85 -37.37 87.41 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.729 -1.232 . . . . 0.0 108.903 179.671 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.787 HD22 ' CE ' ' B' ' 74' ' ' MET . 0.2 OUTLIER -55.76 -50.58 70.01 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 179.263 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 28.1 mm -49.07 -34.38 6.52 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.456 ' HB3' ' O ' ' B' ' 9' ' ' ALA . 36.5 t0 -57.66 -53.62 56.1 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 179.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . 0.955 HG22 ' HB2' ' A' ' 2' ' ' GLU . 67.4 t -48.34 -30.93 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.375 -0.828 . . . . 0.0 108.954 179.63 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.793 ' CE1' HD12 ' B' ' 27' ' ' LEU . 0.3 OUTLIER -61.25 -47.73 84.69 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.215 -0.928 . . . . 0.0 109.39 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -64.85 -10.77 30.84 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.198 -0.939 . . . . 0.0 109.557 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -93.9 -71.26 0.67 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.314 -0.866 . . . . 0.0 109.661 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -67.81 -51.88 43.46 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.306 -0.871 . . . . 0.0 109.858 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . 0.511 ' HB2' ' HG ' ' B' ' 27' ' ' LEU . 8.4 t . . . . . 0 N--CA 1.493 1.697 0 O-C-N 121.225 -0.922 . . . . 0.0 109.83 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 30.4 m80 . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.3 0.571 . . . . 0.0 109.62 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -150.03 129.56 13.06 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.305 -0.872 . . . . 0.0 109.192 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.793 HD12 ' CE1' ' B' ' 14' ' ' PHE . 0.2 OUTLIER -105.05 -157.13 0.6 Allowed 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.272 -0.893 . . . . 0.0 109.352 -179.77 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.521 ' O ' ' CB ' ' B' ' 32' ' ' LEU . 0.1 OUTLIER -145.51 170.54 16.2 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.815 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.496 ' HD2' ' HA3' ' B' ' 66' ' ' GLY . 4.1 mtpm? -79.03 -28.38 43.29 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.179 -0.95 . . . . 0.0 109.1 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 5.5 t -79.36 -35.32 41.06 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.333 -0.855 . . . . 0.0 109.504 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.546 ' HB3' ' CD2' ' B' ' 27' ' ' LEU . 0.4 OUTLIER -86.95 -21.05 26.46 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 179.179 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.525 ' O ' HG13 ' B' ' 36' ' ' ILE . 23.2 tp -78.81 -35.13 44.69 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 178.365 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.659 ' HG3' HD13 ' B' ' 60' ' ' LEU . 7.4 ttpp -62.42 -44.25 96.87 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 178.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.536 ' HG3' ' N ' ' B' ' 35' ' ' LEU . 5.9 pt-20 -68.41 -40.23 81.33 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 179.197 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.806 ' CD1' HD22 ' A' ' 3' ' ' LEU . 0.1 OUTLIER -49.91 -51.1 43.37 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 179.145 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.848 HG23 HD22 ' B' ' 40' ' ' LEU . 0.7 OUTLIER -64.31 -56.89 13.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.413 -0.804 . . . . 0.0 109.252 179.654 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.507 ' O ' ' HB3' ' B' ' 41' ' ' SER . 4.9 t30 -63.92 1.96 0.58 Allowed 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.472 -0.768 . . . . 0.0 110.726 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -86.96 -51.96 5.73 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.752 -1.218 . . . . 0.0 108.778 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.9 ' HG2' HD12 ' B' ' 40' ' ' LEU . 0.0 OUTLIER -106.16 -49.73 3.31 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.334 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.9 HD12 ' HG2' ' B' ' 39' ' ' GLU . 9.2 mp -58.31 -44.56 88.66 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.724 -0.61 . . . . 0.0 109.923 -178.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.507 ' HB3' ' O ' ' B' ' 37' ' ' ASN . 2.1 t -41.59 -28.16 0.12 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.495 -0.753 . . . . 0.0 109.688 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . 0.441 ' N ' ' O ' ' B' ' 40' ' ' LEU . 1.5 t-80 -58.53 -54.21 49.6 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.158 -0.963 . . . . 0.0 109.471 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . 0.544 ' CD1' ' N ' ' B' ' 43' ' ' PHE . 0.8 OUTLIER -75.51 0.67 16.44 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.227 -0.92 . . . . 0.0 109.722 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.445 ' HB2' ' HA ' ' B' ' 41' ' ' SER . 2.5 tt -75.03 106.04 6.34 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.206 -0.934 . . . . 0.0 109.597 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.46 -45.14 0.11 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.368 -0.832 . . . . 0.0 109.182 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -123.37 -41.01 2.32 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.375 -0.828 . . . . 0.0 109.116 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.419 HG23 ' O ' ' B' ' 83' ' ' ALA . 69.6 mt 60.11 85.82 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.284 -0.885 . . . . 0.0 109.864 179.666 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 6.7 tttm -61.53 -42.02 98.2 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.136 -0.978 . . . . 0.0 108.98 179.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.847 ' OE1' HG23 ' B' ' 52' ' ' VAL . 8.4 mm-40 -89.84 77.11 7.06 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.379 -0.825 . . . . 0.0 109.172 179.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . 0.457 ' O ' ' HB2' ' B' ' 54' ' ' ASP . 4.9 tt0 -62.82 -26.84 68.94 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.317 -0.865 . . . . 0.0 109.672 -179.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -76.21 -29.07 57.48 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.077 -1.014 . . . . 0.0 109.754 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.847 HG23 ' OE1' ' B' ' 49' ' ' GLU . 81.8 t -72.89 -51.18 28.15 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.263 -0.898 . . . . 0.0 109.668 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.449 HG22 HG12 ' B' ' 80' ' ' VAL . 78.1 t -72.62 -27.99 26.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.195 -0.941 . . . . 0.0 109.275 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . 0.475 ' O ' ' HG3' ' B' ' 58' ' ' GLU . 1.2 m-20 -77.32 -20.08 55.45 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.165 -0.959 . . . . 0.0 108.792 179.362 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.05 -53.63 6.82 Favored 'General case' 0 N--CA 1.486 1.331 0 O-C-N 121.248 -0.907 . . . . 0.0 109.066 179.684 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.716 HG21 HG13 ' B' ' 80' ' ' VAL . 11.5 m -67.48 -41.0 85.54 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.144 -0.973 . . . . 0.0 108.89 179.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.412 ' N ' HG23 ' B' ' 56' ' ' VAL . 0.8 OUTLIER -66.78 -24.73 66.23 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 179.583 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' B' ' 54' ' ' ASP . 0.3 OUTLIER -72.46 -55.23 7.33 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.362 -0.836 . . . . 0.0 109.251 179.639 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.58 -27.36 68.58 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 179.395 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.659 HD13 ' HG3' ' B' ' 33' ' ' LYS . 9.7 mt -65.71 -52.92 47.5 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-O 121.5 0.667 . . . . 0.0 109.5 179.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.63 -14.94 61.26 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.456 -0.778 . . . . 0.0 109.941 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -66.07 -63.46 1.08 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.128 -0.983 . . . . 0.0 109.65 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.475 ' HB2' ' HE3' ' B' ' 29' ' ' LYS . 0.4 OUTLIER -82.45 -68.91 0.66 Allowed 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.323 -0.861 . . . . 0.0 109.564 -179.891 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 90.87 -39.93 3.04 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.431 -1.468 . . . . 0.0 109.431 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -124.41 49.51 1.79 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.356 -1.085 . . . . 0.0 109.376 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . 0.496 ' HA3' ' HD2' ' B' ' 29' ' ' LYS . . . -109.03 -171.16 20.84 Favored Glycine 0 N--CA 1.487 2.1 0 N-CA-C 109.625 -1.39 . . . . 0.0 109.625 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -124.86 142.11 51.67 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.289 -1.124 . . . . 0.0 109.668 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 56.1 m -113.29 162.68 15.74 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.332 -0.855 . . . . 0.0 109.406 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -92.63 172.23 8.49 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.236 -0.915 . . . . 0.0 109.404 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.616 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 24.6 p90 -70.16 -39.14 75.49 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.213 -0.93 . . . . 0.0 109.276 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.951 ' HA ' HG21 ' A' ' 82' ' ' THR . 0.0 OUTLIER -78.46 -29.26 46.79 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.231 -0.918 . . . . 0.0 109.393 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.87 -59.13 3.53 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.136 -0.978 . . . . 0.0 108.978 179.58 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.681 ' CD2' ' CE1' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -51.09 -22.14 2.28 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 179.236 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.787 ' CE ' HD22 ' B' ' 10' ' ' LEU . 0.6 OUTLIER -74.6 -64.43 1.03 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.39 -0.819 . . . . 0.0 109.798 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.492 ' O ' ' HG2' ' B' ' 79' ' ' MET . . . -58.95 -15.26 12.05 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.508 -0.745 . . . . 0.0 109.51 -179.349 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.662 ' O ' HG22 ' B' ' 80' ' ' VAL . 0.1 OUTLIER -79.72 -46.91 16.18 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.431 -0.793 . . . . 0.0 109.332 179.726 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.593 HG11 HD21 ' B' ' 10' ' ' LEU . 76.4 t -64.01 -27.84 43.64 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 121.307 -0.87 . . . . 0.0 110.227 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . 0.543 ' HA ' ' HE3' ' A' ' 7' ' ' MET . 16.3 m -80.19 -45.77 17.49 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.073 -1.017 . . . . 0.0 111.396 -178.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . 0.52 ' SD ' ' CG1' ' B' ' 56' ' ' VAL . 5.3 ptm -56.72 -38.24 72.07 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.042 -1.037 . . . . 0.0 111.104 -178.401 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.851 ' HB ' HD23 ' B' ' 40' ' ' LEU . 0.0 OUTLIER -77.74 -33.45 18.91 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 120.942 -1.099 . . . . 0.0 110.793 -179.027 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.668 HG21 ' SD ' ' A' ' 7' ' ' MET . 1.7 m -65.22 -13.93 59.47 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.627 -1.295 . . . . 0.0 109.638 -179.527 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.932 HG21 ' HA ' ' A' ' 71' ' ' GLN . 1.5 p -105.01 -14.74 15.32 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.133 -0.98 . . . . 0.0 109.481 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.593 ' HB2' HG11 ' B' ' 52' ' ' VAL . . . . . . . . 0 N--CA 1.489 1.495 0 O-C-N 121.263 -0.898 . . . . 0.0 109.588 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . 0.424 ' OG ' ' HB2' ' A' ' 4' ' ' GLU . 53.1 p . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.731 ' HB2' HG22 ' B' ' 13' ' ' VAL . 36.5 mm-40 -80.39 -43.75 20.52 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.189 -0.944 . . . . 0.0 109.677 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.7 HD23 ' HG ' ' B' ' 40' ' ' LEU . 3.4 tp -70.14 -33.85 72.31 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.229 -0.919 . . . . 0.0 109.657 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.599 ' O ' HG23 ' A' ' 8' ' ' VAL . 1.6 mt-10 -69.79 -62.56 1.33 Allowed 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.415 -0.803 . . . . 0.0 110.165 -179.399 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.848 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.1 OUTLIER -58.73 -33.92 70.77 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.219 -0.926 . . . . 0.0 109.698 -179.218 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.533 ' N ' ' HD3' ' A' ' 5' ' ' LYS . . . -80.75 -71.1 0.48 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.034 -1.041 . . . . 0.0 110.135 -179.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.904 ' HG3' HG21 ' B' ' 81' ' ' THR . 6.7 tpt -47.64 -55.01 10.3 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.421 -0.799 . . . . 0.0 109.676 -179.634 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 4' ' ' GLU . 6.1 t -60.31 -34.4 57.36 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 O-C-N 121.47 -0.769 . . . . 0.0 109.367 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.848 ' HB2' ' O ' ' A' ' 5' ' ' LYS . . . -59.87 -34.51 73.23 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.136 -0.977 . . . . 0.0 108.643 179.272 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.974 HD22 ' HE3' ' A' ' 74' ' ' MET . 0.4 OUTLIER -57.43 -41.33 80.24 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.314 -0.866 . . . . 0.0 108.777 179.458 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.604 ' N ' HD12 ' A' ' 11' ' ' ILE . 1.4 mp -58.84 -35.06 54.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 179.422 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 13' ' ' VAL . 11.8 t0 -62.49 -52.18 64.53 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.418 -0.801 . . . . 0.0 109.429 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.736 HG22 ' HB2' ' B' ' 2' ' ' GLU . 54.5 t -43.68 -36.76 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.375 -0.828 . . . . 0.0 109.498 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.494 ' CE1' ' HG ' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -62.72 -47.21 84.57 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.214 -0.929 . . . . 0.0 109.623 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -73.05 -2.0 19.51 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.219 -0.926 . . . . 0.0 109.692 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.84 -44.85 8.27 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.083 -1.011 . . . . 0.0 109.584 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.507 ' HE1' HG13 ' A' ' 13' ' ' VAL . 95.8 m-85 -87.94 -57.38 2.96 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.197 -0.94 . . . . 0.0 109.617 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.9 t . . . . . 0 N--CA 1.492 1.639 0 O-C-N 121.184 -0.948 . . . . 0.0 109.748 -179.715 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 36.0 m80 . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.315 0.578 . . . . 0.0 109.584 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.53 130.24 13.19 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.167 -0.958 . . . . 0.0 109.168 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.494 ' HG ' ' CE1' ' A' ' 14' ' ' PHE . 1.1 mt -102.0 -156.96 0.58 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.168 -0.958 . . . . 0.0 109.22 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -150.74 169.32 21.93 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.092 -1.005 . . . . 0.0 109.351 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.548 ' HG3' ' CA ' ' A' ' 64' ' ' GLY . 1.1 ptmt -78.01 -19.93 53.47 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.109 -0.994 . . . . 0.0 109.363 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.9 -44.32 20.61 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.241 -0.912 . . . . 0.0 109.029 179.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.507 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 7.7 tt0 -78.56 -16.87 56.94 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 179.009 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.506 ' O ' HG13 ' A' ' 36' ' ' ILE . 30.3 tp -80.31 -41.24 25.26 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 178.508 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.779 ' HB2' HD22 ' A' ' 60' ' ' LEU . 2.5 tttt -56.71 -44.24 81.35 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.521 ' HG3' ' N ' ' A' ' 35' ' ' LEU . 9.9 pt-20 -71.5 -39.49 70.78 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 179.233 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.599 HD11 HG11 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -48.67 -42.94 36.21 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 179.625 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -80.64 -58.32 3.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.254 -0.904 . . . . 0.0 110.114 -179.649 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.514 ' O ' ' CB ' ' A' ' 41' ' ' SER . 43.7 t-20 -68.61 -62.75 1.25 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.239 -0.913 . . . . 0.0 109.986 -179.239 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.486 ' HB3' ' O ' ' A' ' 34' ' ' GLU . 0.3 OUTLIER -43.41 -52.22 6.09 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.139 -0.975 . . . . 0.0 110.242 -179.589 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.471 ' HB2' ' O ' ' A' ' 35' ' ' LEU . 24.4 mm-40 -79.23 -79.58 0.13 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.107 -0.996 . . . . 0.0 110.361 -179.258 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.705 ' HG ' HD23 ' B' ' 3' ' ' LEU . 45.9 mt -58.5 -94.24 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.091 -1.005 . . . . 0.0 110.058 -179.03 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.514 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 4.3 t 52.49 20.27 1.41 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.07 -1.019 . . . . 0.0 109.536 -179.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -96.42 -26.13 15.44 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.151 -0.968 . . . . 0.0 109.425 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -117.2 56.14 0.83 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.322 -0.861 . . . . 0.0 109.432 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.09 54.53 1.95 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.176 -0.952 . . . . 0.0 109.591 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -99.17 -72.82 0.65 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.249 -0.907 . . . . 0.0 109.365 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.433 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 48.3 mt-10 -97.74 -24.59 15.41 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.266 -0.896 . . . . 0.0 109.397 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.433 ' HB ' ' O ' ' A' ' 46' ' ' GLU . 23.0 mt 61.04 111.51 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.252 -0.905 . . . . 0.0 109.73 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.18 -43.96 9.54 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.274 -0.891 . . . . 0.0 109.326 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.862 ' OE1' HG23 ' A' ' 52' ' ' VAL . 7.4 mm-40 -85.2 64.61 8.77 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.251 -0.905 . . . . 0.0 109.077 179.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.552 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 0.9 OUTLIER -46.88 -24.82 0.65 Allowed 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.19 -0.944 . . . . 0.0 110.08 -179.609 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -80.58 -41.3 24.26 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.002 -1.061 . . . . 0.0 110.424 -179.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.862 HG23 ' OE1' ' A' ' 49' ' ' GLU . 98.2 t -69.12 -46.29 78.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.025 -1.047 . . . . 0.0 109.9 -179.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.464 HG23 ' CB ' ' A' ' 83' ' ' ALA . 59.3 t -75.14 -29.99 22.53 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 O-C-N 121.178 -0.951 . . . . 0.0 109.747 -179.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.552 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 33.8 t70 -80.47 -20.42 43.75 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.02 -1.05 . . . . 0.0 109.096 179.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.417 ' C ' ' CD ' ' A' ' 55' ' ' LYS . 0.5 OUTLIER -77.27 -43.15 34.33 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 121.197 -0.94 . . . . 0.0 109.104 179.85 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.972 HG21 ' CG1' ' A' ' 80' ' ' VAL . 7.5 m -78.16 -37.12 22.12 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 O-C-N 121.096 -1.002 . . . . 0.0 108.884 179.382 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 36.3 tpp -71.36 -23.77 61.96 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 179.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.475 ' O ' ' HB2' ' A' ' 62' ' ' GLU . 3.9 mt-10 -75.46 -51.5 12.88 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.238 -0.914 . . . . 0.0 109.364 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.4 m -64.82 -33.1 75.19 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 179.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.779 HD22 ' HB2' ' A' ' 33' ' ' LYS . 9.7 mt -61.52 -53.11 60.71 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 179.384 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.37 -6.95 58.83 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.46 -0.775 . . . . 0.0 109.557 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.475 ' HB2' ' O ' ' A' ' 58' ' ' GLU . 3.8 tt0 -66.97 -40.86 87.56 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.106 -0.996 . . . . 0.0 109.691 -179.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.521 ' CB ' ' HE2' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -125.14 -55.72 1.56 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.268 -0.895 . . . . 0.0 109.802 -179.753 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.548 ' CA ' ' HG3' ' A' ' 29' ' ' LYS . . . 89.73 -52.41 3.64 Favored Glycine 0 N--CA 1.49 2.3 0 N-CA-C 109.365 -1.494 . . . . 0.0 109.365 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -105.26 89.32 3.09 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.28 -1.13 . . . . 0.0 109.361 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.54 ' N ' ' HD3' ' A' ' 29' ' ' LYS . . . -147.25 175.71 26.48 Favored Glycine 0 N--CA 1.488 2.134 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -110.45 125.09 52.91 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.289 -1.124 . . . . 0.0 109.702 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.2 m -106.96 173.83 6.15 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.354 -0.841 . . . . 0.0 109.104 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.402 ' H ' ' HB2' ' A' ' 72' ' ' GLU . 35.6 m-20 -115.18 -176.23 2.87 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.203 -0.935 . . . . 0.0 109.198 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.468 ' CE1' ' SD ' ' A' ' 74' ' ' MET . 10.2 t80 -74.39 -49.04 24.22 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.092 -1.005 . . . . 0.0 109.277 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.7 ' HA ' HG21 ' B' ' 82' ' ' THR . 0.0 OUTLIER -61.86 -23.04 66.02 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.243 -0.911 . . . . 0.0 109.333 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.45 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 0.5 OUTLIER -79.28 -54.32 6.07 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.215 -0.928 . . . . 0.0 109.086 179.721 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.754 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.1 OUTLIER -60.32 -21.44 62.03 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 179.261 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.974 ' HE3' HD22 ' A' ' 10' ' ' LEU . 0.7 OUTLIER -77.98 -60.1 2.51 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.376 -0.828 . . . . 0.0 109.334 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.517 ' O ' ' HG2' ' A' ' 79' ' ' MET . . . -62.49 -17.0 58.64 Favored 'General case' 0 C--N 1.302 -1.499 0 C-N-CA 119.676 -0.809 . . . . 0.0 109.48 -179.622 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.714 ' O ' HG22 ' A' ' 80' ' ' VAL . 0.3 OUTLIER -81.47 -43.44 18.84 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.313 -0.867 . . . . 0.0 109.789 179.867 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.761 HG12 ' SD ' ' B' ' 7' ' ' MET . 53.4 t -71.96 -25.33 23.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.339 -0.85 . . . . 0.0 110.341 -179.28 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.436 ' O ' ' OG1' ' A' ' 82' ' ' THR . 57.3 p -76.27 -52.63 9.6 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.144 -0.973 . . . . 0.0 110.758 -178.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.719 ' HB2' HG13 ' A' ' 52' ' ' VAL . 13.8 ptp -58.1 -42.45 85.68 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.945 -1.097 . . . . 0.0 110.281 -179.131 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.972 ' CG1' HG21 ' A' ' 56' ' ' VAL . 9.1 m -65.2 -41.45 91.67 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 O-C-N 121.004 -1.06 . . . . 0.0 110.037 -179.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.931 HG21 ' HG3' ' B' ' 7' ' ' MET . 5.3 m -70.42 -13.21 62.04 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.998 -1.064 . . . . 0.0 109.417 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.853 HG23 ' HG2' ' B' ' 74' ' ' MET . 0.1 OUTLIER -100.33 1.27 41.4 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.22 -0.925 . . . . 0.0 109.61 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.464 ' CB ' HG23 ' A' ' 53' ' ' VAL . . . . . . . . 0 N--CA 1.487 1.397 0 O-C-N 121.161 -0.962 . . . . 0.0 109.191 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . 0.435 ' OG ' ' HB2' ' B' ' 4' ' ' GLU . 53.1 p . . . . . 0 N--CA 1.492 1.663 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.736 ' HB2' HG22 ' A' ' 13' ' ' VAL . 36.4 mm-40 -80.46 -43.72 20.41 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.232 -0.917 . . . . 0.0 109.694 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.705 HD23 ' HG ' ' A' ' 40' ' ' LEU . 3.4 tp -70.08 -33.89 72.48 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.279 -0.888 . . . . 0.0 109.617 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.604 ' O ' HG23 ' B' ' 8' ' ' VAL . 1.6 mt-10 -69.85 -62.54 1.34 Allowed 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.312 -0.867 . . . . 0.0 110.122 -179.309 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.864 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 0.1 OUTLIER -58.81 -33.93 70.93 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.224 -0.923 . . . . 0.0 109.595 -179.14 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.548 ' N ' ' HD3' ' B' ' 5' ' ' LYS . . . -80.8 -71.06 0.48 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.992 -1.068 . . . . 0.0 110.141 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . 0.931 ' HG3' HG21 ' A' ' 81' ' ' THR . 6.6 tpt -47.63 -54.94 10.48 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-O 121.721 0.772 . . . . 0.0 109.628 -179.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.604 HG23 ' O ' ' B' ' 4' ' ' GLU . 6.1 t -60.35 -34.36 57.34 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.579 0 C-N-CA 119.822 -0.751 . . . . 0.0 109.347 -179.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.864 ' HB2' ' O ' ' B' ' 5' ' ' LYS . . . -59.97 -34.55 73.44 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.13 -0.981 . . . . 0.0 108.615 179.288 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.945 HD22 ' HE3' ' B' ' 74' ' ' MET . 0.4 OUTLIER -57.29 -41.39 79.73 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.373 -0.83 . . . . 0.0 108.791 179.412 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.596 ' N ' HD12 ' B' ' 11' ' ' ILE . 1.4 mp -58.83 -35.15 54.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.344 -0.848 . . . . 0.0 108.778 179.417 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' B' ' 13' ' ' VAL . 11.7 t0 -62.42 -52.11 64.85 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.365 -0.835 . . . . 0.0 109.463 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . 0.731 HG22 ' HB2' ' A' ' 2' ' ' GLU . 54.4 t -43.68 -36.82 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.348 -0.845 . . . . 0.0 109.529 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.483 ' CE1' ' HG ' ' B' ' 27' ' ' LEU . 0.6 OUTLIER -62.66 -47.34 84.13 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.241 -0.912 . . . . 0.0 109.574 -179.898 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -72.9 -2.06 19.34 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.112 -0.993 . . . . 0.0 109.694 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.9 -44.84 8.26 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.204 -0.935 . . . . 0.0 109.603 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.518 ' HE1' HG13 ' B' ' 13' ' ' VAL . 95.8 m-85 -87.91 -57.33 2.98 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.273 -0.892 . . . . 0.0 109.69 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 4.9 t . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.343 -0.848 . . . . 0.0 109.796 -179.76 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 35.9 m80 . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.336 0.588 . . . . 0.0 109.591 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.53 130.23 13.17 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.217 -0.927 . . . . 0.0 109.206 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.5 ' HA ' HD23 ' B' ' 27' ' ' LEU . 1.1 mt -102.07 -156.98 0.58 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.283 -0.886 . . . . 0.0 109.182 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -150.72 169.34 21.85 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.09 -1.006 . . . . 0.0 109.373 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.538 ' HD3' ' N ' ' B' ' 66' ' ' GLY . 1.1 ptmt -78.05 -19.98 53.27 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.081 -1.012 . . . . 0.0 109.259 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.83 -44.3 20.79 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.236 -0.915 . . . . 0.0 109.051 179.568 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.502 ' O ' ' HG2' ' B' ' 34' ' ' GLU . 7.7 tt0 -78.63 -16.88 56.84 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 179.016 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.51 ' O ' HG13 ' B' ' 36' ' ' ILE . 30.3 tp -80.27 -41.3 25.27 Favored 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 178.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.774 ' HB2' HD22 ' B' ' 60' ' ' LEU . 2.5 tttt -56.81 -44.18 81.72 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 178.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.528 ' HG3' ' N ' ' B' ' 35' ' ' LEU . 9.9 pt-20 -71.49 -39.51 70.82 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.214 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.597 HD11 HG11 ' B' ' 13' ' ' VAL . 0.2 OUTLIER -48.66 -43.03 36.31 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 179.646 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.51 HG13 ' O ' ' B' ' 32' ' ' LEU . 0.4 OUTLIER -80.6 -58.32 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.248 -0.908 . . . . 0.0 110.149 -179.693 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.532 ' O ' ' CB ' ' B' ' 41' ' ' SER . 43.7 t-20 -68.69 -62.73 1.26 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.276 -0.89 . . . . 0.0 109.901 -179.183 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.481 ' HB3' ' O ' ' B' ' 34' ' ' GLU . 0.3 OUTLIER -43.45 -52.18 6.18 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.123 -0.985 . . . . 0.0 110.221 -179.573 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.465 ' HB2' ' O ' ' B' ' 35' ' ' LEU . 24.4 mm-40 -79.3 -79.57 0.13 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.15 -0.968 . . . . 0.0 110.372 -179.254 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.7 ' HG ' HD23 ' A' ' 3' ' ' LEU . 46.1 mt -58.46 -94.19 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.339 0 O-C-N 121.118 -0.989 . . . . 0.0 110.166 -179.114 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.532 ' CB ' ' O ' ' B' ' 37' ' ' ASN . 4.3 t 52.5 20.27 1.42 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.096 -1.003 . . . . 0.0 109.498 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -96.45 -26.24 15.38 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.248 -0.907 . . . . 0.0 109.43 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -117.05 56.09 0.82 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.251 -0.905 . . . . 0.0 109.477 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.11 54.53 1.95 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.281 -0.887 . . . . 0.0 109.557 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -99.2 -72.75 0.65 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.327 -0.858 . . . . 0.0 109.385 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . 0.436 ' O ' ' HB ' ' B' ' 47' ' ' ILE . 48.5 mt-10 -97.85 -24.49 15.41 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.339 -0.851 . . . . 0.0 109.379 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.436 ' HB ' ' O ' ' B' ' 46' ' ' GLU . 23.1 mt 60.97 111.61 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.328 -0.857 . . . . 0.0 109.708 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.26 -43.89 9.54 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.261 -0.899 . . . . 0.0 109.398 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.869 ' OE1' HG23 ' B' ' 52' ' ' VAL . 7.5 mm-40 -85.2 64.58 8.76 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.258 -0.901 . . . . 0.0 109.078 179.594 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . 0.554 ' O ' ' CB ' ' B' ' 54' ' ' ASP . 0.9 OUTLIER -47.0 -24.85 0.68 Allowed 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.266 -0.896 . . . . 0.0 110.022 -179.503 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -80.51 -41.18 24.7 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.988 -1.07 . . . . 0.0 110.466 -179.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.869 HG23 ' OE1' ' B' ' 49' ' ' GLU . 97.1 t -69.2 -46.39 77.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 120.984 -1.072 . . . . 0.0 109.907 -179.473 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.462 HG23 ' CB ' ' B' ' 83' ' ' ALA . 58.8 t -75.12 -29.89 22.47 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.259 -0.9 . . . . 0.0 109.773 -179.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . 0.554 ' CB ' ' O ' ' B' ' 50' ' ' GLN . 33.8 t70 -80.47 -20.46 43.67 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.025 -1.047 . . . . 0.0 109.014 179.656 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . 0.415 ' C ' ' CD ' ' B' ' 55' ' ' LYS . 0.5 OUTLIER -77.26 -43.13 34.47 Favored 'General case' 0 C--N 1.306 -1.312 0 O-C-N 121.113 -0.992 . . . . 0.0 109.079 179.871 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.963 HG21 ' CG1' ' B' ' 80' ' ' VAL . 7.7 m -78.12 -37.11 22.21 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.353 0 O-C-N 121.116 -0.99 . . . . 0.0 108.954 179.373 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 36.4 tpp -71.42 -23.9 61.94 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . 0.482 ' HB2' ' O ' ' B' ' 54' ' ' ASP . 3.9 mt-10 -75.28 -51.62 12.81 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.308 -0.87 . . . . 0.0 109.326 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 1.4 m -64.77 -33.13 75.25 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 179.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.774 HD22 ' HB2' ' B' ' 33' ' ' LYS . 9.6 mt -61.65 -52.89 62.48 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 179.414 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.44 -6.88 58.78 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.433 -0.792 . . . . 0.0 109.597 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.474 ' HB2' ' O ' ' B' ' 58' ' ' GLU . 3.8 tt0 -67.01 -40.9 87.4 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.224 -0.923 . . . . 0.0 109.664 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.529 ' CB ' ' HE2' ' B' ' 29' ' ' LYS . 0.1 OUTLIER -125.12 -55.8 1.56 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.238 -0.914 . . . . 0.0 109.829 -179.745 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . 0.534 ' CA ' ' HG3' ' B' ' 29' ' ' LYS . . . 89.76 -52.34 3.62 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.427 -1.469 . . . . 0.0 109.427 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -105.21 89.36 3.1 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.294 -1.121 . . . . 0.0 109.321 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . 0.538 ' N ' ' HD3' ' B' ' 29' ' ' LYS . . . -147.26 175.67 26.51 Favored Glycine 0 N--CA 1.488 2.106 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -110.5 125.08 52.94 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.301 -1.117 . . . . 0.0 109.666 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 3.1 m -107.02 173.83 6.15 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.33 -0.856 . . . . 0.0 109.031 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -115.1 -176.33 2.88 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.312 -0.867 . . . . 0.0 109.254 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.47 ' CE1' ' SD ' ' B' ' 74' ' ' MET . 10.3 t80 -74.34 -49.01 24.61 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.085 -1.009 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.68 ' HA ' HG21 ' A' ' 82' ' ' THR . 0.0 OUTLIER -61.86 -23.01 66.01 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.166 -0.959 . . . . 0.0 109.346 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.459 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 0.5 OUTLIER -79.44 -54.23 6.13 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.202 -0.936 . . . . 0.0 109.095 179.757 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.755 ' O ' HG23 ' B' ' 77' ' ' VAL . 0.1 OUTLIER -60.27 -21.5 62.0 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.168 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.945 ' HE3' HD22 ' B' ' 10' ' ' LEU . 0.7 OUTLIER -77.93 -60.16 2.48 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.412 -0.805 . . . . 0.0 109.4 179.862 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.518 ' O ' ' HG2' ' B' ' 79' ' ' MET . . . -62.39 -17.04 58.13 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.432 -0.793 . . . . 0.0 109.529 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.729 ' O ' HG22 ' B' ' 80' ' ' VAL . 0.3 OUTLIER -81.51 -43.41 18.82 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.433 -0.792 . . . . 0.0 109.806 179.875 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.763 HG12 ' SD ' ' A' ' 7' ' ' MET . 53.8 t -72.15 -25.11 23.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.301 -0.874 . . . . 0.0 110.235 -179.208 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . 0.436 ' O ' ' OG1' ' B' ' 82' ' ' THR . 57.7 p -76.31 -52.74 9.34 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.126 -0.984 . . . . 0.0 110.737 -178.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . 0.709 ' HB2' HG13 ' B' ' 52' ' ' VAL . 13.8 ptp -58.15 -42.39 85.83 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.868 -1.145 . . . . 0.0 110.269 -179.071 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.963 ' CG1' HG21 ' B' ' 56' ' ' VAL . 8.6 m -65.26 -41.45 91.53 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 O-C-N 120.97 -1.081 . . . . 0.0 109.964 -179.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.904 HG21 ' HG3' ' A' ' 7' ' ' MET . 5.2 m -70.42 -13.19 62.03 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.078 -1.014 . . . . 0.0 109.384 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.842 HG23 ' HG2' ' A' ' 74' ' ' MET . 0.1 OUTLIER -100.34 1.2 41.31 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.184 -0.948 . . . . 0.0 109.627 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.462 ' CB ' HG23 ' B' ' 53' ' ' VAL . . . . . . . . 0 N--CA 1.488 1.474 0 O-C-N 121.193 -0.942 . . . . 0.0 109.194 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . 0.474 ' O ' ' CG ' ' A' ' 5' ' ' LYS . 0.9 OUTLIER . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 121.302 0.572 . . . . 0.0 109.649 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.839 ' HB3' HG22 ' B' ' 13' ' ' VAL . 0.8 OUTLIER -80.34 -45.33 17.97 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.327 -0.858 . . . . 0.0 109.644 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.633 HD13 HG11 ' B' ' 13' ' ' VAL . 9.0 tp -79.78 -43.85 21.75 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.241 -0.912 . . . . 0.0 109.949 -179.617 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.551 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 7.9 tt0 -61.75 -44.6 96.59 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.011 -1.055 . . . . 0.0 110.034 -179.277 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.474 ' CG ' ' O ' ' A' ' 1' ' ' SER . 1.7 pttt -70.82 -35.93 72.7 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.645 -1.284 . . . . 0.0 110.118 -179.441 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.502 ' HB2' ' HB1' ' B' ' 9' ' ' ALA . . . -80.56 -70.11 0.55 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.1 -1.0 . . . . 0.0 110.248 -179.394 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.733 ' HE2' HG12 ' B' ' 77' ' ' VAL . 4.3 tpt -45.79 -51.45 12.74 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.467 -0.771 . . . . 0.0 110.194 -179.3 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.551 ' CG2' ' O ' ' A' ' 4' ' ' GLU . 23.1 t -61.36 -34.81 62.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.297 -0.877 . . . . 0.0 109.443 -179.324 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.484 ' HB1' ' HB2' ' B' ' 6' ' ' ALA . . . -55.71 -38.65 70.01 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.099 -1.0 . . . . 0.0 108.805 179.313 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.691 HD22 ' SD ' ' A' ' 74' ' ' MET . 0.5 OUTLIER -58.62 -52.39 65.88 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.28 -0.887 . . . . 0.0 108.724 179.432 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.1 mp -48.98 -37.0 8.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.254 -0.904 . . . . 0.0 108.608 179.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -55.49 -50.85 68.83 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.287 -0.883 . . . . 0.0 109.512 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.81 HG22 ' HB3' ' B' ' 2' ' ' GLU . 46.4 t -49.51 -36.7 10.47 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.412 -0.805 . . . . 0.0 109.964 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.469 ' CE2' ' HA ' ' A' ' 70' ' ' PHE . 2.2 t80 -58.13 -44.43 87.79 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.213 -0.929 . . . . 0.0 109.657 -179.578 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -80.67 -7.51 59.34 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.144 -0.973 . . . . 0.0 109.564 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.477 ' HB2' ' HA ' ' A' ' 13' ' ' VAL . 0.6 OUTLIER -83.46 -26.45 30.28 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.236 -0.915 . . . . 0.0 109.456 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.459 ' CD1' HD21 ' A' ' 35' ' ' LEU . 43.3 m-85 -106.66 -53.11 2.67 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.293 -0.879 . . . . 0.0 109.462 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.554 0 O-C-N 121.22 -0.925 . . . . 0.0 109.463 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.583 ' O ' ' CE1' ' A' ' 70' ' ' PHE . 23.6 m-70 . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.375 0.607 . . . . 0.0 109.433 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.453 ' HG2' ' C ' ' A' ' 25' ' ' HIS . 6.7 mttm -137.22 145.57 43.79 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.237 -0.915 . . . . 0.0 109.122 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.52 ' O ' ' CB ' ' A' ' 68' ' ' CYS . 0.1 OUTLIER -115.93 137.1 52.42 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.14 -0.975 . . . . 0.0 108.932 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.515 ' HG3' ' HA ' ' A' ' 67' ' ' GLU . 0.1 OUTLIER -88.58 174.22 8.19 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.002 -1.062 . . . . 0.0 110.014 -179.34 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.662 ' HB2' HD23 ' A' ' 60' ' ' LEU . 6.4 ptpt -76.31 -15.81 59.9 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.349 -0.844 . . . . 0.0 109.733 -179.602 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.53 -44.09 19.67 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.032 -1.042 . . . . 0.0 108.583 179.189 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.478 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 4.6 tt0 -80.46 -17.25 52.24 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 178.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.634 HD21 ' CD2' ' A' ' 76' ' ' PHE . 19.1 tp -80.21 -41.87 24.36 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 178.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.763 ' HB2' HD22 ' A' ' 60' ' ' LEU . 10.6 tttt -59.32 -43.7 92.65 Favored 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 178.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.544 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 13.5 pt-20 -71.94 -36.81 70.03 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 179.45 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.67 HD11 HG11 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -50.9 -42.45 59.23 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 121.738 -0.601 . . . . 0.0 109.503 179.866 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.738 HG21 HG21 ' A' ' 80' ' ' VAL . 0.3 OUTLIER -81.62 -57.21 4.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.202 -0.937 . . . . 0.0 110.336 -179.431 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -68.46 -0.72 5.32 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.278 -0.889 . . . . 0.0 111.174 -178.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.544 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 1.4 t30 -110.99 -77.08 0.59 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.76 -1.212 . . . . 0.0 109.533 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.611 ' HG3' HD13 ' A' ' 35' ' ' LEU . 0.9 OUTLIER -49.82 -49.4 49.07 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.175 -0.953 . . . . 0.0 108.901 179.839 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.529 ' O ' ' CB ' ' A' ' 41' ' ' SER . 13.3 mt -88.72 -103.6 0.09 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.128 -0.983 . . . . 0.0 108.743 179.417 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.529 ' CB ' ' O ' ' A' ' 40' ' ' LEU . 0.4 OUTLIER 81.23 -42.0 0.16 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.249 -0.907 . . . . 0.0 110.666 179.254 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -67.42 -14.81 63.26 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.957 -1.089 . . . . 0.0 109.91 -179.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -108.22 45.73 1.0 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.11 -0.994 . . . . 0.0 109.972 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 1.001 ' O ' HD13 ' A' ' 44' ' ' LEU . 2.8 tm? -127.35 -6.29 5.91 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.172 -0.955 . . . . 0.0 109.524 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.45 ' HG2' ' OE1' ' A' ' 46' ' ' GLU . 25.4 pt-20 -104.08 17.54 23.89 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.975 -1.078 . . . . 0.0 109.764 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.589 ' C ' HD12 ' A' ' 47' ' ' ILE . 2.5 pm0 -150.12 83.47 1.38 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.122 -0.986 . . . . 0.0 109.39 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.589 HD12 ' C ' ' A' ' 46' ' ' GLU . 1.6 mp -151.48 138.57 13.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.372 -0.83 . . . . 0.0 109.387 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -99.28 -21.12 16.21 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.213 -0.929 . . . . 0.0 108.803 179.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.543 ' HB3' ' CG2' ' A' ' 52' ' ' VAL . 4.0 mm-40 -84.43 69.05 10.48 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.298 -0.876 . . . . 0.0 109.06 179.667 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.562 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 39.7 tt0 -53.38 -22.24 7.21 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.233 -0.917 . . . . 0.0 109.211 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.503 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 2.4 mt-10 -80.11 -34.91 37.53 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.09 -1.006 . . . . 0.0 110.045 -179.721 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.543 ' CG2' ' HB3' ' A' ' 49' ' ' GLU . 61.1 t -69.22 -48.03 70.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 120.979 -1.076 . . . . 0.0 109.702 -179.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.611 HG22 HG12 ' A' ' 80' ' ' VAL . 44.5 t -76.87 -34.08 22.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.126 -0.984 . . . . 0.0 109.513 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.562 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 15.4 t70 -80.18 -14.5 58.41 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.242 -0.911 . . . . 0.0 109.145 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.527 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 1.4 tmtm? -80.28 -38.24 31.22 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 120.971 -1.081 . . . . 0.0 108.564 179.507 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.668 HG21 HG13 ' A' ' 80' ' ' VAL . 2.5 m -81.45 -32.19 11.76 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 178.246 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.25 -23.69 47.22 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.625 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.539 ' HG3' ' N ' ' A' ' 59' ' ' THR . 23.1 pt-20 -80.37 -44.06 20.05 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.185 -0.947 . . . . 0.0 108.872 179.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.539 ' N ' ' HG3' ' A' ' 58' ' ' GLU . 0.2 OUTLIER -71.67 -28.57 63.83 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 178.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.763 HD22 ' HB2' ' A' ' 33' ' ' LYS . 11.4 mt -69.71 -54.15 15.18 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.585 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -80.55 -8.73 59.69 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.62 -0.675 . . . . 0.0 109.929 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.5 ' HB2' ' O ' ' A' ' 58' ' ' GLU . 4.2 tt0 -71.43 -66.05 0.67 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.121 -0.987 . . . . 0.0 109.522 -179.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -84.07 -58.34 2.81 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.331 -0.856 . . . . 0.0 109.779 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.412 ' H ' ' HD3' ' A' ' 29' ' ' LYS . . . 84.82 -16.22 38.07 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.726 -1.35 . . . . 0.0 109.726 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -133.12 74.8 1.58 Allowed 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.233 -1.157 . . . . 0.0 109.56 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.489 ' O ' ' HG2' ' A' ' 28' ' ' LYS . . . -139.84 161.25 26.28 Favored Glycine 0 N--CA 1.488 2.151 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.515 ' HA ' ' HG3' ' A' ' 28' ' ' LYS . 3.0 mp0 -97.84 148.61 23.23 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.228 -1.16 . . . . 0.0 109.935 -179.617 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.52 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 2.8 m -128.11 174.66 9.04 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.432 -0.792 . . . . 0.0 108.943 179.537 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -120.99 -151.99 0.5 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.136 -0.977 . . . . 0.0 110.118 -179.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.583 ' CE1' ' O ' ' A' ' 25' ' ' HIS . 69.8 m-85 -92.41 -50.56 5.57 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.425 -0.797 . . . . 0.0 110.051 -179.346 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.456 ' HG2' ' OG1' ' B' ' 82' ' ' THR . 14.0 mt-30 -67.83 -16.11 63.94 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.184 -0.947 . . . . 0.0 108.974 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.453 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 0.6 OUTLIER -81.77 -58.98 2.76 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.289 -0.882 . . . . 0.0 108.756 179.137 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -21.58 65.7 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 179.188 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.822 ' HG3' HG21 ' B' ' 82' ' ' THR . 20.9 mmm -80.75 -55.02 5.11 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.52 -0.738 . . . . 0.0 109.608 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.452 ' O ' ' HG3' ' A' ' 79' ' ' MET . . . -68.33 -12.94 61.87 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.286 -0.884 . . . . 0.0 108.717 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.634 ' CD2' HD21 ' A' ' 32' ' ' LEU . 0.7 OUTLIER -79.95 -44.68 19.86 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 179.311 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.697 HG12 ' CE ' ' B' ' 7' ' ' MET . 55.8 t -63.22 -27.05 42.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.425 -0.797 . . . . 0.0 109.392 179.603 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.554 ' HA ' ' CE ' ' B' ' 7' ' ' MET . 0.0 OUTLIER -77.05 -49.42 15.39 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.241 -0.912 . . . . 0.0 110.411 -179.566 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.493 ' HB3' ' CG1' ' A' ' 52' ' ' VAL . 0.7 OUTLIER -50.14 -41.8 49.53 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.056 -1.027 . . . . 0.0 110.515 -179.285 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.738 HG21 HG21 ' A' ' 36' ' ' ILE . 2.5 m -80.38 -42.73 21.51 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.066 -1.021 . . . . 0.0 111.073 -178.72 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.439 ' OG1' ' HE2' ' B' ' 7' ' ' MET . 2.0 m -73.08 -6.0 42.72 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.813 -1.179 . . . . 0.0 109.844 -179.393 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.804 HG21 ' HG3' ' B' ' 74' ' ' MET . 75.2 p -138.38 18.57 2.75 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.131 -0.981 . . . . 0.0 109.221 179.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.441 ' HB3' HG23 ' A' ' 47' ' ' ILE . . . . . . . . 0 N--CA 1.489 1.494 0 O-C-N 121.319 -0.863 . . . . 0.0 109.22 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . 0.473 ' O ' ' CG ' ' B' ' 5' ' ' LYS . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 121.238 0.542 . . . . 0.0 109.705 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.81 ' HB3' HG22 ' A' ' 13' ' ' VAL . 0.8 OUTLIER -80.35 -45.24 18.11 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.353 -0.842 . . . . 0.0 109.638 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.613 HD13 HG11 ' A' ' 13' ' ' VAL . 9.0 tp -79.84 -43.85 21.61 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.146 -0.971 . . . . 0.0 109.988 -179.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.55 ' O ' ' CG2' ' B' ' 8' ' ' VAL . 7.9 tt0 -61.82 -44.46 96.8 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.002 -1.061 . . . . 0.0 110.126 -179.313 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.473 ' CG ' ' O ' ' B' ' 1' ' ' SER . 1.7 pttt -70.83 -35.99 72.71 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.711 -1.243 . . . . 0.0 110.091 -179.519 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.484 ' HB2' ' HB1' ' A' ' 9' ' ' ALA . . . -80.55 -69.97 0.56 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.123 -0.986 . . . . 0.0 110.274 -179.371 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . 0.697 ' CE ' HG12 ' A' ' 77' ' ' VAL . 4.3 tpt -45.84 -51.54 12.78 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.447 -0.783 . . . . 0.0 110.197 -179.329 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.55 ' CG2' ' O ' ' B' ' 4' ' ' GLU . 23.1 t -61.26 -34.89 62.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.212 -0.93 . . . . 0.0 109.407 -179.29 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.502 ' HB1' ' HB2' ' A' ' 6' ' ' ALA . . . -55.62 -38.66 69.78 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.074 -1.016 . . . . 0.0 108.843 179.3 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.688 HD22 ' SD ' ' B' ' 74' ' ' MET . 0.5 OUTLIER -58.73 -52.3 66.3 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.279 -0.888 . . . . 0.0 108.712 179.427 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 1.1 mp -49.06 -36.94 9.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 179.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -55.45 -50.99 68.4 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.401 -0.812 . . . . 0.0 109.507 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . 0.839 HG22 ' HB3' ' A' ' 2' ' ' GLU . 46.5 t -49.49 -36.62 10.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.39 -0.819 . . . . 0.0 109.942 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.474 ' CD1' ' CE2' ' B' ' 70' ' ' PHE . 2.2 t80 -58.1 -44.47 87.69 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.145 -0.972 . . . . 0.0 109.697 -179.65 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -80.7 -7.52 59.36 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.197 -0.939 . . . . 0.0 109.546 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.465 ' HB2' ' HA ' ' B' ' 13' ' ' VAL . 0.6 OUTLIER -83.35 -26.5 30.47 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.303 -0.873 . . . . 0.0 109.409 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.467 ' CD1' HD21 ' B' ' 35' ' ' LEU . 43.1 m-85 -106.67 -53.04 2.68 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.294 -0.879 . . . . 0.0 109.537 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.586 0 O-C-N 121.21 -0.931 . . . . 0.0 109.365 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . 0.575 ' O ' ' CE1' ' B' ' 70' ' ' PHE . 23.4 m-70 . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 121.388 0.613 . . . . 0.0 109.409 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.442 ' HG2' ' C ' ' B' ' 25' ' ' HIS . 6.7 mttm -137.16 145.45 43.78 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.265 -0.897 . . . . 0.0 109.165 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.512 ' O ' ' CB ' ' B' ' 68' ' ' CYS . 0.1 OUTLIER -115.75 137.09 52.43 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.156 -0.965 . . . . 0.0 109.007 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.53 ' HG3' ' HA ' ' B' ' 67' ' ' GLU . 0.1 OUTLIER -88.61 174.29 8.14 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.959 -1.088 . . . . 0.0 109.946 -179.311 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.651 ' HB2' HD23 ' B' ' 60' ' ' LEU . 6.4 ptpt -76.35 -15.82 59.88 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.334 -0.854 . . . . 0.0 109.788 -179.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.46 -44.13 19.74 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.044 -1.035 . . . . 0.0 108.607 179.196 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.484 ' O ' ' HG2' ' B' ' 34' ' ' GLU . 4.5 tt0 -80.45 -17.29 52.14 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 178.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.63 HD21 ' CD2' ' B' ' 76' ' ' PHE . 19.2 tp -80.14 -41.85 24.63 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 178.636 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.765 ' HB2' HD22 ' B' ' 60' ' ' LEU . 10.6 tttt -59.34 -43.69 92.72 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 178.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.541 ' O ' ' CB ' ' B' ' 38' ' ' ASN . 13.6 pt-20 -71.96 -36.73 69.95 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 179.423 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.663 HD11 HG11 ' B' ' 13' ' ' VAL . 0.1 OUTLIER -50.9 -42.44 59.31 Favored 'General case' 0 C--N 1.297 -1.679 0 O-C-N 121.78 -0.575 . . . . 0.0 109.578 179.87 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.749 HG21 HG21 ' B' ' 80' ' ' VAL . 0.3 OUTLIER -81.54 -57.23 4.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.268 -0.895 . . . . 0.0 110.324 -179.473 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -68.52 -0.7 5.37 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.196 -0.94 . . . . 0.0 111.161 -178.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.541 ' CB ' ' O ' ' B' ' 34' ' ' GLU . 1.4 t30 -111.01 -77.01 0.59 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.797 -1.189 . . . . 0.0 109.591 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.609 ' HG3' HD13 ' B' ' 35' ' ' LEU . 0.9 OUTLIER -49.73 -49.47 47.84 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.162 -0.961 . . . . 0.0 109.015 179.698 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.543 ' O ' ' CB ' ' B' ' 41' ' ' SER . 13.4 mt -88.66 -103.56 0.08 Allowed 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.098 -1.001 . . . . 0.0 108.855 179.324 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.543 ' CB ' ' O ' ' B' ' 40' ' ' LEU . 0.4 OUTLIER 81.21 -42.0 0.16 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.227 -0.921 . . . . 0.0 110.653 179.169 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 80.9 m-70 -67.41 -14.7 63.16 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.882 -1.136 . . . . 0.0 109.934 -179.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -108.47 45.85 1.0 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.176 -0.952 . . . . 0.0 109.808 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 1.014 ' O ' HD13 ' B' ' 44' ' ' LEU . 2.8 tm? -127.46 -6.22 5.85 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.3 -0.875 . . . . 0.0 109.399 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.455 ' HG2' ' OE1' ' B' ' 46' ' ' GLU . 25.4 pt-20 -104.07 17.53 23.91 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.943 -1.098 . . . . 0.0 109.748 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . 0.589 ' C ' HD12 ' B' ' 47' ' ' ILE . 2.4 pm0 -150.12 83.35 1.38 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.305 -0.872 . . . . 0.0 109.308 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.589 HD12 ' C ' ' B' ' 46' ' ' GLU . 1.6 mp -151.43 138.36 13.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.292 -0.88 . . . . 0.0 109.389 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -99.1 -21.12 16.33 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.226 -0.921 . . . . 0.0 108.893 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.544 ' HB3' ' CG2' ' B' ' 52' ' ' VAL . 4.0 mm-40 -84.45 69.03 10.48 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.285 -0.885 . . . . 0.0 109.074 179.684 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . 0.551 ' O ' ' CB ' ' B' ' 54' ' ' ASP . 39.4 tt0 -53.44 -22.1 7.2 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.262 -0.899 . . . . 0.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.499 ' O ' ' HB2' ' B' ' 55' ' ' LYS . 2.4 mt-10 -80.17 -34.9 37.18 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.161 -0.962 . . . . 0.0 110.02 -179.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.544 ' CG2' ' HB3' ' B' ' 49' ' ' GLU . 61.1 t -69.3 -47.86 71.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.019 -1.051 . . . . 0.0 109.66 -179.687 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.617 HG22 HG12 ' B' ' 80' ' ' VAL . 44.1 t -77.02 -34.03 21.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.136 -0.978 . . . . 0.0 109.415 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . 0.551 ' CB ' ' O ' ' B' ' 50' ' ' GLN . 15.4 t70 -80.1 -14.61 58.37 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.202 -0.936 . . . . 0.0 109.213 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . 0.535 ' O ' ' HG2' ' B' ' 58' ' ' GLU . 1.4 tmtm? -80.19 -38.24 31.62 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.959 -1.088 . . . . 0.0 108.568 179.503 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.653 HG21 HG13 ' B' ' 80' ' ' VAL . 2.5 m -81.49 -32.23 11.71 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 178.343 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.19 -23.77 47.44 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . 0.538 ' HG3' ' N ' ' B' ' 59' ' ' THR . 23.0 pt-20 -80.28 -44.06 20.26 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.151 -0.968 . . . . 0.0 108.979 179.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . 0.538 ' N ' ' HG3' ' B' ' 58' ' ' GLU . 0.2 OUTLIER -71.63 -28.62 63.9 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 178.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.765 HD22 ' HB2' ' B' ' 33' ' ' LYS . 11.4 mt -69.62 -54.15 15.36 Favored 'General case' 0 C--N 1.303 -1.419 0 CA-C-O 121.536 0.684 . . . . 0.0 109.33 179.598 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -80.52 -8.75 59.69 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.561 -0.712 . . . . 0.0 109.843 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.504 ' HB2' ' O ' ' B' ' 58' ' ' GLU . 4.2 tt0 -71.46 -66.05 0.67 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.131 -0.981 . . . . 0.0 109.611 -179.627 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -84.0 -58.34 2.82 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.264 -0.898 . . . . 0.0 109.664 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . 0.415 ' H ' ' HD3' ' B' ' 29' ' ' LYS . . . 84.78 -16.23 37.79 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 -179.784 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -133.07 74.81 1.59 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.197 -1.178 . . . . 0.0 109.579 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . 0.493 ' O ' ' HG2' ' B' ' 28' ' ' LYS . . . -139.97 161.21 26.33 Favored Glycine 0 N--CA 1.489 2.192 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.53 ' HA ' ' HG3' ' B' ' 28' ' ' LYS . 2.9 mp0 -97.7 148.64 23.13 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.261 -1.141 . . . . 0.0 110.04 -179.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.512 ' CB ' ' O ' ' B' ' 27' ' ' LEU . 2.8 m -128.12 174.65 9.06 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.39 -0.819 . . . . 0.0 108.865 179.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -121.0 -151.98 0.5 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.153 -0.967 . . . . 0.0 110.103 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.575 ' CE1' ' O ' ' B' ' 25' ' ' HIS . 69.9 m-85 -92.38 -50.56 5.58 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.328 -0.858 . . . . 0.0 110.047 -179.348 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.443 ' HG2' ' OG1' ' A' ' 82' ' ' THR . 13.9 mt-30 -67.83 -16.14 63.96 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.105 -0.997 . . . . 0.0 108.854 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.451 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 0.6 OUTLIER -81.81 -58.97 2.76 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 179.201 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -62.54 -21.65 65.71 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 179.237 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.804 ' HG3' HG21 ' A' ' 82' ' ' THR . 20.9 mmm -80.71 -55.06 5.09 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.472 -0.767 . . . . 0.0 109.601 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.456 ' O ' ' HG3' ' B' ' 79' ' ' MET . . . -68.23 -12.93 61.8 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.63 ' CD2' HD21 ' B' ' 32' ' ' LEU . 0.7 OUTLIER -79.96 -44.65 19.89 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.426 -0.796 . . . . 0.0 108.958 179.287 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.733 HG12 ' HE2' ' A' ' 7' ' ' MET . 55.7 t -63.23 -27.07 42.38 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.287 -0.883 . . . . 0.0 109.453 179.533 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . 0.543 ' HA ' ' CE ' ' A' ' 7' ' ' MET . 0.0 OUTLIER -76.96 -49.59 15.16 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.216 -0.928 . . . . 0.0 110.285 -179.549 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . 0.493 ' HB3' ' CG1' ' B' ' 52' ' ' VAL . 0.7 OUTLIER -50.19 -41.68 49.92 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.139 -0.975 . . . . 0.0 110.543 -179.155 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.749 HG21 HG21 ' B' ' 36' ' ' ILE . 2.5 m -80.37 -42.76 21.55 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 120.984 -1.073 . . . . 0.0 111.117 -178.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 1.9 m -73.12 -6.09 43.38 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.755 -1.215 . . . . 0.0 109.909 -179.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.822 HG21 ' HG3' ' A' ' 74' ' ' MET . 75.0 p -138.24 18.57 2.77 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.226 -0.921 . . . . 0.0 109.278 179.56 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.451 ' HB3' HG23 ' B' ' 47' ' ' ILE . . . . . . . . 0 N--CA 1.488 1.458 0 O-C-N 121.274 -0.891 . . . . 0.0 109.193 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . 0.493 ' OG ' ' HB3' ' A' ' 4' ' ' GLU . 21.2 p . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.838 ' HB2' HG22 ' B' ' 13' ' ' VAL . 30.0 mm-40 -80.09 -42.48 23.53 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.206 -0.934 . . . . 0.0 109.659 -179.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.67 HD11 HD21 ' B' ' 10' ' ' LEU . 5.8 tp -80.0 -48.05 13.97 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.193 -0.942 . . . . 0.0 110.15 -179.566 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.548 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 8.0 tt0 -63.39 -38.69 92.14 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.053 -1.029 . . . . 0.0 110.137 -179.187 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.492 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 25.1 tptt -80.34 -38.27 30.89 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.855 -1.153 . . . . 0.0 109.837 -179.647 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.674 ' CB ' ' HB3' ' B' ' 9' ' ' ALA . . . -80.26 -65.86 0.95 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.206 -0.934 . . . . 0.0 109.861 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.743 ' HE2' HG12 ' B' ' 77' ' ' VAL . 9.9 tpt -46.59 -52.81 12.74 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.468 -0.77 . . . . 0.0 110.033 -179.695 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.548 ' CG2' ' O ' ' A' ' 4' ' ' GLU . 22.3 t -62.74 -32.63 56.34 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.537 0 O-C-N 121.311 -0.868 . . . . 0.0 109.552 -179.53 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.672 ' HB3' ' CB ' ' B' ' 6' ' ' ALA . . . -58.76 -43.9 90.43 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.185 -0.947 . . . . 0.0 108.45 179.209 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.665 HD21 HD11 ' B' ' 3' ' ' LEU . 0.3 OUTLIER -50.64 -45.79 57.94 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 179.043 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -52.51 -42.69 40.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 178.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -52.71 -50.17 63.9 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.413 -0.804 . . . . 0.0 109.259 179.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.819 HG22 ' HB2' ' B' ' 2' ' ' GLU . 94.4 t -47.93 -35.26 4.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.374 -0.828 . . . . 0.0 109.59 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.484 ' CD1' ' CE1' ' A' ' 73' ' ' PHE . 1.1 t80 -59.99 -44.71 94.34 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.063 -1.023 . . . . 0.0 109.723 -179.787 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 20.1 t-80 -65.32 -14.89 61.83 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.185 -0.947 . . . . 0.0 109.811 -179.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.0 tp60 -89.84 -61.82 1.61 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.1 -1.0 . . . . 0.0 109.959 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.402 ' HB3' ' CD ' ' A' ' 31' ' ' GLU . 44.9 m-85 -69.06 -57.62 5.18 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.25 -0.906 . . . . 0.0 110.22 -179.399 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.401 ' OG ' ' O ' ' A' ' 26' ' ' LYS . 4.9 t . . . . . 0 N--CA 1.491 1.58 0 O-C-N 121.029 -1.044 . . . . 0.0 109.869 -179.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.401 ' O ' ' OG ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -149.24 162.03 40.84 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.273 -0.892 . . . . 0.0 109.332 -179.909 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.481 ' O ' ' HB2' ' A' ' 67' ' ' GLU . 0.6 OUTLIER -136.18 -154.57 0.57 Allowed 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.379 -0.826 . . . . 0.0 108.794 179.467 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.524 ' HA ' ' HA ' ' A' ' 67' ' ' GLU . 0.7 OUTLIER -149.43 148.79 29.87 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.227 -0.921 . . . . 0.0 108.94 179.649 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.752 ' O ' HD22 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -58.66 -27.32 64.67 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.092 -1.005 . . . . 0.0 109.582 -179.778 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.553 ' N ' ' HG2' ' A' ' 29' ' ' LYS . 41.2 t -77.32 -38.58 50.17 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.16 -0.962 . . . . 0.0 109.953 -179.497 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.504 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 9.9 tt0 -78.64 -17.94 55.24 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 120.967 -1.083 . . . . 0.0 108.754 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.694 HD13 ' HB2' ' A' ' 73' ' ' PHE . 50.9 tp -81.1 -46.72 14.53 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 178.664 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.45 ' CG ' HD13 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -54.85 -43.0 72.67 Favored 'General case' 0 N--CA 1.486 1.374 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 178.845 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.558 ' HG3' ' N ' ' A' ' 35' ' ' LEU . 8.5 pt-20 -71.1 -41.63 70.35 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 179.187 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.558 ' N ' ' HG3' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -46.41 -42.59 15.38 Favored 'General case' 0 C--N 1.299 -1.587 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 179.348 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.965 ' CG2' HG21 ' A' ' 80' ' ' VAL . 0.6 OUTLIER -79.8 -61.3 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.316 -0.865 . . . . 0.0 109.76 -179.756 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.46 ' O ' ' CB ' ' A' ' 41' ' ' SER . 34.1 t-20 -67.33 -64.02 0.94 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.321 -0.862 . . . . 0.0 109.994 -179.327 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.488 ' HB3' ' O ' ' A' ' 34' ' ' GLU . 10.8 t30 -41.58 -51.38 3.96 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.352 -0.842 . . . . 0.0 110.592 -179.379 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.521 ' HB3' ' HB3' ' B' ' 3' ' ' LEU . 4.0 mm-40 -81.25 -83.41 0.11 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.998 -1.064 . . . . 0.0 110.813 -178.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.615 ' HG ' HD23 ' B' ' 3' ' ' LEU . 20.8 mt -46.77 -87.74 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.408 0 O-C-N 120.96 -1.087 . . . . 0.0 110.096 -179.045 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.46 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 0.4 OUTLIER 44.28 58.6 3.67 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.135 -0.978 . . . . 0.0 109.653 -179.778 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 -140.97 -66.78 0.42 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.111 -0.993 . . . . 0.0 109.624 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -62.92 -12.74 27.36 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.162 -0.961 . . . . 0.0 109.399 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.705 HD13 HD12 ' A' ' 47' ' ' ILE . 0.5 OUTLIER -62.83 88.25 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.282 -0.886 . . . . 0.0 109.7 -179.785 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -134.15 -58.18 0.85 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.352 -0.842 . . . . 0.0 109.058 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.469 ' O ' ' O ' ' A' ' 47' ' ' ILE . 44.8 mt-10 -115.91 -36.96 4.0 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.483 -0.761 . . . . 0.0 108.969 179.646 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.705 HD12 HD13 ' A' ' 44' ' ' LEU . 0.0 OUTLIER 59.33 121.43 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.414 -0.804 . . . . 0.0 109.527 179.653 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.445 ' HD2' ' O ' ' A' ' 48' ' ' LYS . 2.8 tmmm? -103.48 -21.39 13.79 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.165 -0.959 . . . . 0.0 109.372 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.538 ' OE1' HG23 ' A' ' 52' ' ' VAL . 8.0 mm-40 -104.62 65.29 0.76 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.273 -0.892 . . . . 0.0 109.222 179.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.532 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -52.26 -22.04 4.04 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.333 -0.854 . . . . 0.0 109.509 -179.9 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.463 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -79.82 -37.34 35.31 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.245 -0.909 . . . . 0.0 109.651 -179.836 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.66 HG13 ' HB3' ' A' ' 79' ' ' MET . 88.1 t -67.87 -47.57 78.82 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 121.221 -0.924 . . . . 0.0 109.463 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.589 HG21 HD11 ' A' ' 47' ' ' ILE . 94.6 t -74.2 -35.03 39.42 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.177 -0.952 . . . . 0.0 109.144 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.532 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 34.5 t70 -75.1 -17.32 60.47 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.279 -0.888 . . . . 0.0 108.932 179.425 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.463 ' HB2' ' O ' ' A' ' 51' ' ' GLU . 4.1 mtpt -79.49 -48.74 13.39 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.212 -0.93 . . . . 0.0 109.482 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.78 HG12 ' CE2' ' A' ' 76' ' ' PHE . 3.0 m -72.94 -36.04 50.48 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 O-C-N 121.172 -0.955 . . . . 0.0 109.153 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 48.4 tpp -72.33 -26.3 61.88 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.466 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 3.5 mt-10 -74.8 -49.87 19.22 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.199 -0.938 . . . . 0.0 108.783 179.416 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.9 m -65.08 -25.93 68.01 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 179.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.752 HD22 ' O ' ' A' ' 29' ' ' LYS . 10.6 mt -68.06 -53.67 23.89 Favored 'General case' 0 C--N 1.303 -1.418 0 CA-C-O 121.551 0.691 . . . . 0.0 109.283 179.427 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.89 -7.43 58.73 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.532 -0.73 . . . . 0.0 109.8 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' A' ' 58' ' ' GLU . 30.9 tt0 -80.69 -44.71 18.32 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.106 -0.996 . . . . 0.0 109.606 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.45 -73.18 0.39 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.351 -0.843 . . . . 0.0 109.508 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.466 ' HA2' ' HG3' ' A' ' 29' ' ' LYS . . . 63.32 11.16 38.81 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.741 -1.343 . . . . 0.0 109.741 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.592 ' N ' ' HD2' ' A' ' 29' ' ' LYS . 10.4 t0 -144.56 -29.52 0.47 Allowed 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.183 -1.186 . . . . 0.0 110.652 -179.385 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.483 ' O ' ' HD3' ' A' ' 29' ' ' LYS . . . -89.19 168.57 35.38 Favored Glycine 0 N--CA 1.488 2.113 0 C-N-CA 119.861 -1.161 . . . . 0.0 110.614 -178.634 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.524 ' HA ' ' HA ' ' A' ' 28' ' ' LYS . 9.4 pt-20 -101.15 168.59 9.48 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.641 -0.917 . . . . 0.0 109.987 -179.487 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 34.4 m -113.47 164.79 13.16 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.389 -0.819 . . . . 0.0 109.308 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -97.63 179.32 4.88 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.196 -0.94 . . . . 0.0 109.249 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.409 ' O ' ' HB2' ' A' ' 74' ' ' MET . 0.1 OUTLIER -80.72 -33.84 34.96 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.168 -0.957 . . . . 0.0 108.598 179.445 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.465 ' HG2' ' HB ' ' B' ' 82' ' ' THR . 11.5 mt-30 -79.78 -27.17 40.43 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 179.106 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.28 -53.96 8.67 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.329 -0.857 . . . . 0.0 108.892 179.405 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.694 ' HB2' HD13 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -63.07 -24.34 67.86 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 179.349 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.623 ' HE3' HD22 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -72.05 -50.13 30.97 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.591 -0.693 . . . . 0.0 109.533 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.521 ' O ' ' CG ' ' A' ' 79' ' ' MET . . . -72.25 -16.85 61.93 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.225 -0.922 . . . . 0.0 108.97 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.78 ' CE2' HG12 ' A' ' 56' ' ' VAL . 1.0 OUTLIER -78.95 -34.23 44.6 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.406 -0.809 . . . . 0.0 109.356 179.738 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.746 HG12 ' HE2' ' B' ' 7' ' ' MET . 76.5 t -72.41 -26.17 24.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.229 -0.919 . . . . 0.0 109.463 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.495 ' HA ' ' CE ' ' B' ' 7' ' ' MET . 0.8 OUTLIER -77.38 -46.71 21.9 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.303 -0.873 . . . . 0.0 110.342 -179.321 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.66 ' HB3' HG13 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -54.5 -52.68 61.17 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.162 -0.962 . . . . 0.0 109.415 -179.416 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.965 HG21 ' CG2' ' A' ' 36' ' ' ILE . 16.9 m -65.22 -44.03 95.24 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 O-C-N 121.433 -0.792 . . . . 0.0 110.634 -179.1 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.536 HG21 ' HG3' ' B' ' 7' ' ' MET . 13.0 m -70.23 -4.27 20.98 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.97 -1.081 . . . . 0.0 110.039 -179.338 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.464 ' HB ' ' HG2' ' B' ' 71' ' ' GLN . 62.6 p -128.14 9.2 6.2 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.009 -1.057 . . . . 0.0 109.722 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.477 ' CB ' HG23 ' A' ' 53' ' ' VAL . . . . . . . . 0 N--CA 1.489 1.509 0 O-C-N 121.225 -0.922 . . . . 0.0 109.225 179.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . 0.492 ' OG ' ' HB3' ' B' ' 4' ' ' GLU . 21.3 p . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.819 ' HB2' HG22 ' A' ' 13' ' ' VAL . 29.8 mm-40 -80.05 -42.62 23.38 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.279 -0.888 . . . . 0.0 109.699 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.665 HD11 HD21 ' A' ' 10' ' ' LEU . 5.8 tp -80.03 -47.98 14.03 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.289 -0.882 . . . . 0.0 110.024 -179.518 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.549 ' O ' ' CG2' ' B' ' 8' ' ' VAL . 8.0 tt0 -63.41 -38.7 92.15 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 120.977 -1.077 . . . . 0.0 110.152 -179.111 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.49 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 25.2 tptt -80.4 -38.21 30.73 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.897 -1.127 . . . . 0.0 109.799 -179.587 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.672 ' CB ' ' HB3' ' A' ' 9' ' ' ALA . . . -80.14 -65.98 0.94 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.251 -0.906 . . . . 0.0 109.847 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . 0.746 ' HE2' HG12 ' A' ' 77' ' ' VAL . 9.9 tpt -46.62 -52.78 12.89 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.562 -0.711 . . . . 0.0 109.862 -179.589 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.549 ' CG2' ' O ' ' B' ' 4' ' ' GLU . 22.5 t -62.86 -32.61 56.51 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.567 0 O-C-N 121.345 -0.847 . . . . 0.0 109.5 -179.438 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.674 ' HB3' ' CB ' ' A' ' 6' ' ' ALA . . . -58.76 -43.83 90.42 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.05 -1.031 . . . . 0.0 108.509 179.12 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.67 HD21 HD11 ' A' ' 3' ' ' LEU . 0.3 OUTLIER -50.79 -45.61 59.25 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 179.074 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -52.58 -42.65 40.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 178.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -52.8 -50.12 64.28 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.338 -0.851 . . . . 0.0 109.178 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . 0.838 HG22 ' HB2' ' A' ' 2' ' ' GLU . 94.8 t -47.95 -35.23 4.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.535 -0.728 . . . . 0.0 109.663 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.477 ' CD1' ' CE1' ' B' ' 73' ' ' PHE . 1.1 t80 -59.99 -44.71 94.34 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.101 -1.0 . . . . 0.0 109.71 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 20.1 t-80 -65.27 -14.92 61.86 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.186 -0.946 . . . . 0.0 109.839 -179.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 15.0 tp60 -89.86 -61.82 1.61 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.237 -0.915 . . . . 0.0 109.989 -179.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.401 ' HB3' ' CD ' ' B' ' 31' ' ' GLU . 44.5 m-85 -69.02 -57.6 5.22 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.315 -0.866 . . . . 0.0 110.18 -179.417 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 4.9 t . . . . . 0 N--CA 1.489 1.52 0 O-C-N 121.14 -0.975 . . . . 0.0 109.879 -179.549 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.4 ' HB3' ' OE2' ' B' ' 67' ' ' GLU . 0.0 OUTLIER -149.13 162.09 40.67 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.191 -0.943 . . . . 0.0 109.42 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.491 ' O ' ' HB2' ' B' ' 67' ' ' GLU . 0.6 OUTLIER -136.24 -154.62 0.57 Allowed 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.356 -0.84 . . . . 0.0 108.849 179.507 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.519 ' HA ' ' HA ' ' B' ' 67' ' ' GLU . 0.7 OUTLIER -149.36 148.78 29.9 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.22 -0.925 . . . . 0.0 109.003 179.617 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.766 ' O ' HD22 ' B' ' 60' ' ' LEU . 0.0 OUTLIER -58.56 -27.29 64.44 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.137 -0.977 . . . . 0.0 109.723 -179.845 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.557 ' N ' ' HG2' ' B' ' 29' ' ' LYS . 41.0 t -77.41 -38.61 49.34 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.164 -0.96 . . . . 0.0 109.936 -179.514 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.507 ' O ' ' HG2' ' B' ' 34' ' ' GLU . 9.9 tt0 -78.68 -17.92 55.17 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.021 -1.049 . . . . 0.0 108.684 179.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.691 HD13 ' HB2' ' B' ' 73' ' ' PHE . 50.8 tp -81.07 -46.8 14.44 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 107.724 -1.213 . . . . 0.0 107.724 178.615 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.454 ' CG ' HD13 ' B' ' 60' ' ' LEU . 0.1 OUTLIER -54.81 -42.94 72.46 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 178.828 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.557 ' HG3' ' N ' ' B' ' 35' ' ' LEU . 8.6 pt-20 -71.06 -41.81 70.26 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 179.127 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.557 ' N ' ' HG3' ' B' ' 34' ' ' GLU . 0.2 OUTLIER -46.4 -42.64 15.39 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 179.412 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.962 ' CG2' HG21 ' B' ' 80' ' ' VAL . 0.6 OUTLIER -79.74 -61.22 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.351 -0.843 . . . . 0.0 109.816 -179.845 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.47 ' O ' ' HB2' ' B' ' 41' ' ' SER . 34.0 t-20 -67.44 -63.97 0.95 Allowed 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.241 -0.912 . . . . 0.0 109.956 -179.336 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.494 ' HB3' ' O ' ' B' ' 34' ' ' GLU . 10.8 t30 -41.6 -51.35 4.0 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.238 -0.914 . . . . 0.0 110.56 -179.381 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.514 ' HB3' ' HB3' ' A' ' 3' ' ' LEU . 4.0 mm-40 -81.35 -83.38 0.12 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.996 -1.065 . . . . 0.0 110.794 -178.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.616 ' HG ' HD23 ' A' ' 3' ' ' LEU . 20.8 mt -46.67 -87.94 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.956 -1.09 . . . . 0.0 110.079 -179.145 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.47 ' HB2' ' O ' ' B' ' 37' ' ' ASN . 0.4 OUTLIER 44.41 58.66 3.69 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.061 -1.024 . . . . 0.0 109.565 -179.809 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -141.03 -66.83 0.42 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.222 -0.923 . . . . 0.0 109.531 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -62.92 -12.74 27.31 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.192 -0.943 . . . . 0.0 109.473 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.717 HD13 HD12 ' B' ' 47' ' ' ILE . 0.5 OUTLIER -62.72 88.27 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.336 -0.853 . . . . 0.0 109.794 -179.857 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -134.21 -58.19 0.85 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.337 -0.852 . . . . 0.0 109.109 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . 0.474 ' O ' ' O ' ' B' ' 47' ' ' ILE . 44.7 mt-10 -115.91 -36.94 4.0 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.474 -0.766 . . . . 0.0 108.985 179.653 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.717 HD12 HD13 ' B' ' 44' ' ' LEU . 0.0 OUTLIER 59.29 121.43 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.484 -0.76 . . . . 0.0 109.454 179.587 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.457 ' HD2' ' O ' ' B' ' 48' ' ' LYS . 2.8 tmmm? -103.41 -21.49 13.79 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.178 -0.951 . . . . 0.0 109.411 179.787 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.536 ' OE1' HG23 ' B' ' 52' ' ' VAL . 8.0 mm-40 -104.57 65.27 0.76 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.357 -0.84 . . . . 0.0 109.152 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . 0.536 ' O ' ' CB ' ' B' ' 54' ' ' ASP . 0.1 OUTLIER -52.24 -22.02 3.99 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.213 -0.929 . . . . 0.0 109.456 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.461 ' O ' ' HB2' ' B' ' 55' ' ' LYS . 0.0 OUTLIER -79.85 -37.36 35.12 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.183 -0.948 . . . . 0.0 109.666 -179.822 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.666 HG13 ' HB3' ' B' ' 79' ' ' MET . 88.2 t -67.91 -47.55 78.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.109 -0.994 . . . . 0.0 109.528 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.585 HG21 HD11 ' B' ' 47' ' ' ILE . 94.9 t -74.17 -35.09 39.77 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 O-C-N 121.167 -0.958 . . . . 0.0 109.209 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . 0.536 ' CB ' ' O ' ' B' ' 50' ' ' GLN . 34.5 t70 -75.05 -17.27 60.52 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.266 -0.896 . . . . 0.0 108.911 179.374 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . 0.461 ' HB2' ' O ' ' B' ' 51' ' ' GLU . 4.0 mtpt -79.63 -48.71 13.28 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.233 -0.917 . . . . 0.0 109.42 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.772 HG12 ' CE2' ' B' ' 76' ' ' PHE . 3.0 m -72.85 -36.03 50.97 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 121.095 -1.003 . . . . 0.0 109.127 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 48.4 tpp -72.47 -26.26 61.74 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 179.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . 0.464 ' HB2' ' O ' ' B' ' 54' ' ' ASP . 3.5 mt-10 -74.73 -49.92 19.34 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.241 -0.912 . . . . 0.0 108.773 179.389 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 3.9 m -65.08 -25.95 68.02 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.145 -1.058 . . . . 0.0 108.145 179.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.766 HD22 ' O ' ' B' ' 29' ' ' LYS . 10.6 mt -68.08 -53.62 24.2 Favored 'General case' 0 C--N 1.303 -1.43 0 CA-C-O 121.482 0.658 . . . . 0.0 109.289 179.439 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.92 -7.42 58.75 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.636 -0.665 . . . . 0.0 109.837 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' B' ' 58' ' ' GLU . 30.8 tt0 -80.67 -44.71 18.36 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.201 -0.937 . . . . 0.0 109.609 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.43 -73.23 0.39 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.4 -0.813 . . . . 0.0 109.564 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . 0.457 ' HA2' ' HG3' ' B' ' 29' ' ' LYS . . . 63.32 11.2 39.03 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.814 -1.314 . . . . 0.0 109.814 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.595 ' N ' ' HD2' ' B' ' 29' ' ' LYS . 10.4 t0 -144.55 -29.51 0.47 Allowed 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.181 -1.187 . . . . 0.0 110.618 -179.403 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . 0.483 ' O ' ' HD3' ' B' ' 29' ' ' LYS . . . -89.1 168.56 35.5 Favored Glycine 0 N--CA 1.487 2.045 0 C-N-CA 119.769 -1.205 . . . . 0.0 110.732 -178.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.519 ' HA ' ' HA ' ' B' ' 28' ' ' LYS . 9.4 pt-20 -101.15 168.56 9.5 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.562 -0.964 . . . . 0.0 110.046 -179.56 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 34.3 m -113.49 164.83 13.12 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.394 -0.816 . . . . 0.0 109.23 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -97.66 179.34 4.86 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.257 -0.902 . . . . 0.0 109.244 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.61 -33.95 35.47 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.231 -0.918 . . . . 0.0 108.583 179.417 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.464 ' HG2' ' HB ' ' A' ' 82' ' ' THR . 11.4 mt-30 -79.73 -27.25 40.62 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.317 -0.865 . . . . 0.0 108.687 179.154 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.35 -53.79 8.95 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.333 -0.854 . . . . 0.0 108.849 179.49 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.691 ' HB2' HD13 ' B' ' 32' ' ' LEU . 0.0 OUTLIER -63.14 -24.34 67.85 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 179.363 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.54 ' HE3' HD22 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -71.97 -50.31 29.93 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.58 -0.7 . . . . 0.0 109.46 -179.896 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.527 ' O ' ' CG ' ' B' ' 79' ' ' MET . . . -72.2 -16.7 61.95 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.133 -0.98 . . . . 0.0 109.002 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.772 ' CE2' HG12 ' B' ' 56' ' ' VAL . 1.0 OUTLIER -79.23 -34.06 43.13 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.443 -0.786 . . . . 0.0 109.298 179.757 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.743 HG12 ' HE2' ' A' ' 7' ' ' MET . 76.6 t -72.45 -26.2 23.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.383 -0.823 . . . . 0.0 109.405 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . 0.484 ' HB3' ' HB3' ' A' ' 74' ' ' MET . 0.8 OUTLIER -77.37 -46.71 21.95 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.317 -0.865 . . . . 0.0 110.389 -179.312 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . 0.666 ' HB3' HG13 ' B' ' 52' ' ' VAL . 0.0 OUTLIER -54.47 -52.73 60.95 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.106 -0.996 . . . . 0.0 109.389 -179.411 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.962 HG21 ' CG2' ' B' ' 36' ' ' ILE . 17.0 m -65.23 -44.02 95.21 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 O-C-N 121.358 -0.839 . . . . 0.0 110.623 -179.099 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.531 HG21 ' HG3' ' A' ' 7' ' ' MET . 13.5 m -70.23 -4.25 20.84 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.93 -1.106 . . . . 0.0 109.98 -179.363 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.465 ' HB ' ' HG2' ' A' ' 71' ' ' GLN . 59.6 p -128.15 9.2 6.2 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.952 -1.093 . . . . 0.0 109.716 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.47 ' CB ' HG23 ' B' ' 53' ' ' VAL . . . . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.167 -0.958 . . . . 0.0 109.151 179.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . 0.492 ' CB ' ' CD ' ' B' ' 39' ' ' GLU . 1.4 t . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.229 0.538 . . . . 0.0 109.584 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.919 ' HB3' HG22 ' B' ' 13' ' ' VAL . 2.4 tp10 -80.15 -37.14 34.03 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.34 -0.85 . . . . 0.0 109.465 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 1.055 HD22 HD12 ' B' ' 35' ' ' LEU . 16.8 tp -77.93 -51.17 10.83 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.361 -0.837 . . . . 0.0 109.708 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.62 ' HG3' HG21 ' A' ' 8' ' ' VAL . 25.5 tt0 -53.18 -51.06 63.28 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.359 -0.838 . . . . 0.0 110.096 -179.412 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.856 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -57.45 -35.0 69.56 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.116 -0.99 . . . . 0.0 110.568 -178.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.73 -71.06 0.48 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.001 -1.062 . . . . 0.0 110.395 -179.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 1.103 ' HE3' HG12 ' B' ' 77' ' ' VAL . 31.9 tpp -49.8 -53.67 23.9 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.273 -0.892 . . . . 0.0 109.675 -179.402 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.62 HG21 ' HG3' ' A' ' 4' ' ' GLU . 4.5 t -61.96 -28.17 43.82 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.535 0 O-C-N 121.442 -0.786 . . . . 0.0 109.802 -179.448 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.856 ' HB2' ' O ' ' A' ' 5' ' ' LYS . . . -66.24 -43.62 86.05 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.018 -1.051 . . . . 0.0 109.128 179.601 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.991 HD22 ' CE ' ' A' ' 74' ' ' MET . 0.2 OUTLIER -51.55 -43.93 62.51 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.251 -0.906 . . . . 0.0 108.731 179.719 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.603 HG12 ' CZ ' ' A' ' 70' ' ' PHE . 96.7 mt -53.07 -42.0 43.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.247 -0.908 . . . . 0.0 108.773 179.216 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 13' ' ' VAL . 11.9 t70 -54.52 -55.72 26.21 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.319 -0.863 . . . . 0.0 109.483 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.917 HG22 ' HB3' ' B' ' 2' ' ' GLU . 28.3 t -43.17 -32.45 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.435 -0.79 . . . . 0.0 109.484 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.503 ' CZ ' HD23 ' A' ' 27' ' ' LEU . 1.1 t80 -63.74 -69.41 0.28 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.18 -0.95 . . . . 0.0 109.896 -179.523 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 4.1 t-160 -45.87 -24.51 0.4 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.138 -0.976 . . . . 0.0 109.891 -179.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.32 -52.52 12.0 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.112 -0.992 . . . . 0.0 109.73 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.685 ' CG ' HD21 ' A' ' 35' ' ' LEU . 27.2 m-85 -91.14 19.88 5.46 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.254 -0.904 . . . . 0.0 109.835 -179.619 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.4 t . . . . . 0 N--CA 1.491 1.575 0 O-C-N 121.06 -1.025 . . . . 0.0 109.355 179.981 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.406 ' C ' ' HG2' ' A' ' 26' ' ' LYS . 47.4 m80 . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.406 ' HG2' ' C ' ' A' ' 25' ' ' HIS . 1.9 mmmm -142.81 138.25 30.23 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.308 -0.87 . . . . 0.0 109.171 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.525 ' CD1' ' HB3' ' A' ' 31' ' ' GLU . 0.3 OUTLIER -94.5 -157.14 0.54 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.25 -0.906 . . . . 0.0 109.427 -179.916 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.549 ' HA ' ' HA ' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -150.39 167.57 26.68 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.547 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.561 ' HB3' ' O ' ' A' ' 64' ' ' GLY . 0.0 OUTLIER -76.16 -31.45 58.56 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.911 -1.118 . . . . 0.0 108.487 179.394 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.534 ' N ' ' HD2' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -79.11 -27.69 42.93 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.485 -0.759 . . . . 0.0 109.604 179.916 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.525 ' HB3' ' CD1' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -89.82 -22.09 22.26 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 179.393 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.874 HD13 ' HD2' ' A' ' 73' ' ' PHE . 2.6 tp -81.7 -37.61 27.09 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 178.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.436 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 8.4 tttt -65.41 -32.84 74.69 Favored 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 179.423 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.556 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 7.6 pt-20 -80.55 -39.03 28.49 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 179.303 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 1.07 HD12 HD22 ' B' ' 3' ' ' LEU . 0.1 OUTLIER -49.77 -51.68 37.46 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 179.419 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 1.019 HG21 HG21 ' A' ' 80' ' ' VAL . 0.1 OUTLIER -80.07 -52.46 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 CA-C-O 121.921 0.867 . . . . 0.0 109.597 -179.892 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -65.55 -1.19 2.42 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.228 -0.92 . . . . 0.0 111.461 -179.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.556 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 18.1 t30 -100.09 -43.92 6.17 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.712 -1.242 . . . . 0.0 109.302 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.565 ' CG ' ' HB2' ' B' ' 4' ' ' GLU . 42.9 tp10 -117.21 -36.66 3.71 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.314 -0.866 . . . . 0.0 109.381 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.783 ' CD2' HD23 ' B' ' 3' ' ' LEU . 0.2 OUTLIER -74.15 -19.59 60.51 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.441 -0.787 . . . . 0.0 109.919 -179.785 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.581 ' O ' HD13 ' A' ' 44' ' ' LEU . 0.2 OUTLIER -70.47 -9.47 56.62 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.373 -0.83 . . . . 0.0 109.865 -179.558 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -86.65 17.01 4.17 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.089 -1.007 . . . . 0.0 109.556 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.828 ' C ' HD12 ' A' ' 44' ' ' LEU . 38.4 m-85 -131.92 67.05 1.53 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.214 -0.929 . . . . 0.0 109.344 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.828 HD12 ' C ' ' A' ' 43' ' ' PHE . 5.8 mp -142.86 -122.91 0.09 Allowed 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.273 -0.892 . . . . 0.0 109.443 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.54 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 4.9 mt-10 68.49 6.79 5.61 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.874 -1.141 . . . . 0.0 109.308 -179.637 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.54 ' CG ' ' O ' ' A' ' 45' ' ' GLU . 13.8 mt-10 -164.8 29.67 0.06 Allowed 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.421 ' C ' ' O ' ' A' ' 46' ' ' GLU . 62.3 mt -42.06 125.19 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.456 -0.778 . . . . 0.0 110.007 -179.51 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -117.47 -46.4 2.68 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.416 -0.802 . . . . 0.0 109.266 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.884 ' OE1' HG23 ' A' ' 52' ' ' VAL . 12.7 mm-40 -77.25 80.4 3.76 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.143 -0.973 . . . . 0.0 108.998 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.485 ' O ' ' HB2' ' A' ' 54' ' ' ASP . 29.1 tt0 -64.28 -28.19 69.55 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.386 -0.821 . . . . 0.0 109.843 -179.656 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.74 -34.41 52.57 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.067 -1.021 . . . . 0.0 110.297 -179.25 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.884 HG23 ' OE1' ' A' ' 49' ' ' GLU . 90.6 t -71.69 -46.08 63.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.099 -1.0 . . . . 0.0 110.053 -179.475 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.467 ' O ' ' CB ' ' A' ' 57' ' ' MET . 97.0 t -77.53 -30.21 16.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.475 0 O-C-N 121.12 -0.988 . . . . 0.0 109.705 -179.698 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.524 ' O ' ' HB2' ' A' ' 58' ' ' GLU . 2.0 m-20 -80.94 -18.12 48.16 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.093 -1.005 . . . . 0.0 109.018 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -79.7 -44.59 20.54 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.025 -1.047 . . . . 0.0 109.388 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.891 HG12 ' CE2' ' A' ' 76' ' ' PHE . 3.2 m -80.25 -33.44 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 O-C-N 121.017 -1.052 . . . . 0.0 108.709 179.311 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.467 ' CB ' ' O ' ' A' ' 53' ' ' VAL . 0.1 OUTLIER -75.16 -22.27 58.2 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.724 -0.61 . . . . 0.0 109.545 179.832 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.524 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 4.4 mt-10 -80.03 -45.37 18.47 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.933 -1.104 . . . . 0.0 109.429 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 93.4 m -68.05 -27.54 66.6 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 179.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.7 mt -70.55 -61.99 1.56 Allowed 'General case' 0 C--N 1.304 -1.412 0 CA-C-O 121.504 0.668 . . . . 0.0 109.484 179.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.98 -7.57 54.01 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.815 -0.553 . . . . 0.0 110.307 -179.42 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' A' ' 58' ' ' GLU . 0.2 OUTLIER -72.91 -58.77 3.09 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.068 -1.02 . . . . 0.0 108.788 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.477 ' HB2' ' O ' ' A' ' 62' ' ' GLU . 27.6 t70 175.61 64.99 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.498 0 C-N-CA 119.926 -0.71 . . . . 0.0 109.474 179.653 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.595 ' O ' ' N ' ' A' ' 66' ' ' GLY . . . -91.18 19.97 43.21 Favored Glycine 0 N--CA 1.488 2.121 0 N-CA-C 108.853 -1.699 . . . . 0.0 108.853 179.446 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.528 ' N ' ' HE2' ' A' ' 29' ' ' LYS . 12.0 t70 -34.91 -25.18 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.919 -0.754 . . . . 0.0 111.174 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.595 ' N ' ' O ' ' A' ' 64' ' ' GLY . . . -86.43 171.16 43.46 Favored Glycine 0 N--CA 1.484 1.877 0 N-CA-C 109.351 -1.5 . . . . 0.0 109.351 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.549 ' HA ' ' HA ' ' A' ' 28' ' ' LYS . 14.6 mt-10 -76.06 157.84 32.51 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.543 -0.975 . . . . 0.0 110.745 -178.604 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.449 ' HB3' ' CG ' ' A' ' 72' ' ' GLU . 39.9 m -111.26 168.49 9.48 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 179.651 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -99.83 175.88 5.63 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.896 -1.127 . . . . 0.0 109.369 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.603 ' CZ ' HG12 ' A' ' 11' ' ' ILE . 11.0 t80 -75.3 -28.42 59.72 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.215 -0.928 . . . . 0.0 109.569 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.1 -30.99 55.6 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.324 -0.86 . . . . 0.0 110.207 -179.543 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.553 ' HG3' ' N ' ' A' ' 73' ' ' PHE . 1.4 pt-20 -76.93 -44.71 30.51 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 120.851 -1.156 . . . . 0.0 108.589 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.874 ' HD2' HD13 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -68.87 -21.46 64.26 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 178.836 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.991 ' CE ' HD22 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -76.03 -53.71 7.94 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.569 -0.707 . . . . 0.0 109.28 -179.895 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.526 ' O ' ' HG3' ' A' ' 79' ' ' MET . . . -71.56 -19.02 62.21 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.366 -0.834 . . . . 0.0 108.983 179.749 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.891 ' CE2' HG12 ' A' ' 56' ' ' VAL . 2.9 m-85 -80.42 -33.4 36.99 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.348 -0.845 . . . . 0.0 109.983 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 1.058 HG12 ' HE3' ' B' ' 7' ' ' MET . 77.0 t -76.71 -28.93 17.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 120.955 -1.091 . . . . 0.0 109.773 -179.537 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.572 ' HA ' ' HE1' ' B' ' 7' ' ' MET . 56.7 m -79.03 -34.51 43.84 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.138 -0.976 . . . . 0.0 110.009 -179.665 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.607 ' HB3' HG13 ' A' ' 52' ' ' VAL . 2.4 mmm -64.17 -45.66 87.44 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.154 -0.966 . . . . 0.0 109.95 -179.645 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 1.019 HG21 HG21 ' A' ' 36' ' ' ILE . 16.3 m -72.19 -42.24 66.69 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 O-C-N 121.179 -0.951 . . . . 0.0 110.57 -179.142 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.921 HG21 ' CG ' ' B' ' 7' ' ' MET . 5.8 m -62.32 -12.48 21.15 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.954 -1.091 . . . . 0.0 109.985 -179.481 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 69.9 p -114.4 -8.52 12.83 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.075 -1.016 . . . . 0.0 109.493 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.606 ' HB1' ' HB2' ' A' ' 49' ' ' GLU . . . . . . . . 0 N--CA 1.489 1.511 0 O-C-N 121.31 -0.869 . . . . 0.0 109.601 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . 0.438 ' CB ' ' CD ' ' A' ' 39' ' ' GLU . 1.4 t . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.295 0.569 . . . . 0.0 109.537 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.917 ' HB3' HG22 ' A' ' 13' ' ' VAL . 2.4 tp10 -80.2 -37.11 33.86 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.264 -0.897 . . . . 0.0 109.548 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 1.07 HD22 HD12 ' A' ' 35' ' ' LEU . 16.7 tp -77.97 -51.2 10.75 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.416 -0.802 . . . . 0.0 109.653 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.602 ' HG3' HG21 ' B' ' 8' ' ' VAL . 25.4 tt0 -53.1 -51.08 63.01 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.403 -0.811 . . . . 0.0 110.125 -179.487 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.856 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 0.0 OUTLIER -57.58 -34.96 69.76 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.124 -0.985 . . . . 0.0 110.561 -178.865 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.401 ' HB1' ' N ' ' A' ' 10' ' ' LEU . . . -80.69 -71.04 0.48 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.103 -0.998 . . . . 0.0 110.463 -179.228 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . 1.058 ' HE3' HG12 ' A' ' 77' ' ' VAL . 31.9 tpp -49.76 -53.79 22.93 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.312 -0.867 . . . . 0.0 109.608 -179.399 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.602 HG21 ' HG3' ' B' ' 4' ' ' GLU . 4.5 t -61.94 -28.12 43.69 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.51 0 O-C-N 121.485 -0.76 . . . . 0.0 109.82 -179.372 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.856 ' HB2' ' O ' ' B' ' 5' ' ' LYS . . . -66.24 -43.58 86.18 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.034 -1.041 . . . . 0.0 109.12 179.579 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.994 HD22 ' CE ' ' B' ' 74' ' ' MET . 0.2 OUTLIER -51.6 -43.88 62.65 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.229 -0.919 . . . . 0.0 108.687 179.759 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.602 HG12 ' CZ ' ' B' ' 70' ' ' PHE . 96.7 mt -53.13 -42.05 44.39 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.317 -0.864 . . . . 0.0 108.754 179.246 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' B' ' 13' ' ' VAL . 11.9 t70 -54.49 -55.58 27.58 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.432 -0.793 . . . . 0.0 109.483 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . 0.919 HG22 ' HB3' ' A' ' 2' ' ' GLU . 28.1 t -43.29 -32.46 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 121.559 -0.713 . . . . 0.0 109.469 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.5 ' CZ ' HD23 ' B' ' 27' ' ' LEU . 1.1 t80 -63.71 -69.35 0.28 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.354 -0.841 . . . . 0.0 109.922 -179.558 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 4.1 t-160 -45.91 -24.42 0.4 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.144 -0.973 . . . . 0.0 109.914 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.53 -52.34 12.15 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.138 -0.976 . . . . 0.0 109.751 -179.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.685 ' CG ' HD21 ' B' ' 35' ' ' LEU . 26.9 m-85 -91.2 19.88 5.52 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.233 -0.917 . . . . 0.0 109.811 -179.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 5.3 t . . . . . 0 N--CA 1.491 1.593 0 O-C-N 121.132 -0.98 . . . . 0.0 109.383 179.971 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . 0.416 ' C ' ' HG2' ' B' ' 26' ' ' LYS . 47.1 m80 . . . . . 0 N--CA 1.492 1.672 0 CA-C-O 121.317 0.579 . . . . 0.0 109.45 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.416 ' HG2' ' C ' ' B' ' 25' ' ' HIS . 1.9 mmmm -142.78 138.19 30.25 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.244 -0.91 . . . . 0.0 109.148 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.521 HD22 ' HA ' ' B' ' 27' ' ' LEU . 0.3 OUTLIER -94.55 -157.16 0.54 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.283 -0.885 . . . . 0.0 109.487 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.555 ' HA ' ' HA ' ' B' ' 67' ' ' GLU . 0.0 OUTLIER -150.3 167.69 26.24 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 179.545 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.562 ' HB3' ' O ' ' B' ' 64' ' ' GLY . 0.0 OUTLIER -76.17 -31.59 58.6 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.963 -1.086 . . . . 0.0 108.426 179.399 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.528 ' N ' ' HD2' ' B' ' 29' ' ' LYS . 0.3 OUTLIER -79.03 -27.77 43.23 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.39 -0.819 . . . . 0.0 109.573 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.521 ' HB3' ' CD1' ' B' ' 27' ' ' LEU . 0.8 OUTLIER -89.78 -22.09 22.32 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 179.396 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.869 HD13 ' HD2' ' B' ' 73' ' ' PHE . 2.6 tp -81.73 -37.68 26.93 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 178.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.444 ' HB2' ' O ' ' B' ' 29' ' ' LYS . 8.4 tttt -65.37 -32.84 74.69 Favored 'General case' 0 N--CA 1.486 1.353 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 179.395 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.553 ' O ' ' CB ' ' B' ' 38' ' ' ASN . 7.5 pt-20 -80.6 -39.02 28.29 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 179.299 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 1.055 HD12 HD22 ' A' ' 3' ' ' LEU . 0.1 OUTLIER -49.81 -51.7 37.7 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.457 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.989 HG21 HG21 ' B' ' 80' ' ' VAL . 0.1 OUTLIER -79.99 -52.49 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 CA-C-O 121.888 0.851 . . . . 0.0 109.578 -179.906 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -65.51 -1.35 2.51 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.246 -0.909 . . . . 0.0 111.431 -179.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.553 ' CB ' ' O ' ' B' ' 34' ' ' GLU . 18.2 t30 -99.96 -43.9 6.22 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.68 -1.263 . . . . 0.0 109.372 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.542 ' CG ' ' HB2' ' A' ' 4' ' ' GLU . 43.0 tp10 -117.26 -36.63 3.71 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.37 -0.831 . . . . 0.0 109.343 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.833 ' CD2' HD23 ' A' ' 3' ' ' LEU . 0.2 OUTLIER -74.22 -19.64 60.45 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.366 -0.834 . . . . 0.0 109.788 -179.672 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.58 ' O ' HD13 ' B' ' 44' ' ' LEU . 0.2 OUTLIER -70.44 -9.5 56.62 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.255 -0.903 . . . . 0.0 109.921 -179.566 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -86.55 16.82 4.27 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.052 -1.03 . . . . 0.0 109.532 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . 0.812 ' C ' HD12 ' B' ' 44' ' ' LEU . 38.5 m-85 -131.86 67.19 1.53 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.314 -0.866 . . . . 0.0 109.339 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.812 HD12 ' C ' ' B' ' 43' ' ' PHE . 5.8 mp -142.89 -122.99 0.09 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.347 -0.846 . . . . 0.0 109.458 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.538 ' O ' ' CG ' ' B' ' 46' ' ' GLU . 4.9 mt-10 68.51 6.73 5.58 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.783 -1.198 . . . . 0.0 109.322 -179.604 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . 0.538 ' CG ' ' O ' ' B' ' 45' ' ' GLU . 13.7 mt-10 -164.68 29.56 0.07 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.38 -0.825 . . . . 0.0 108.801 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' B' ' 46' ' ' GLU . 61.9 mt -41.88 125.12 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.475 -0.765 . . . . 0.0 110.01 -179.566 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -117.47 -46.29 2.68 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.362 -0.836 . . . . 0.0 109.317 179.69 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.886 ' OE1' HG23 ' B' ' 52' ' ' VAL . 12.6 mm-40 -77.29 80.38 3.79 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.159 -0.963 . . . . 0.0 109.004 179.6 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . 0.495 ' O ' ' HB2' ' B' ' 54' ' ' ASP . 29.0 tt0 -64.38 -28.0 69.39 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.368 -0.833 . . . . 0.0 109.87 -179.616 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.74 -34.36 52.58 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.12 -0.988 . . . . 0.0 110.314 -179.361 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.886 HG23 ' OE1' ' B' ' 49' ' ' GLU . 91.0 t -71.8 -46.0 63.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.078 -1.014 . . . . 0.0 110.023 -179.446 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.476 ' O ' ' HB2' ' B' ' 57' ' ' MET . 96.4 t -77.66 -30.16 16.64 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.065 -1.022 . . . . 0.0 109.645 -179.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . 0.528 ' O ' ' HB2' ' B' ' 58' ' ' GLU . 2.0 m-20 -80.94 -18.07 48.35 Favored 'General case' 0 C--N 1.303 -1.446 0 C-N-CA 119.232 -0.987 . . . . 0.0 108.988 179.599 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -79.76 -44.6 20.39 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.065 -1.022 . . . . 0.0 109.337 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.888 HG12 ' CE2' ' B' ' 76' ' ' PHE . 3.2 m -80.28 -33.38 14.08 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.357 0 O-C-N 120.979 -1.076 . . . . 0.0 108.69 179.378 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.476 ' HB2' ' O ' ' B' ' 53' ' ' VAL . 0.1 OUTLIER -75.18 -22.21 58.18 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.81 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . 0.528 ' HB2' ' O ' ' B' ' 54' ' ' ASP . 4.4 mt-10 -80.06 -45.44 18.29 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.942 -1.098 . . . . 0.0 109.317 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 92.8 m -68.17 -27.37 66.35 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 179.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 12.6 mt -70.64 -61.96 1.57 Allowed 'General case' 0 C--N 1.302 -1.497 0 CA-C-O 121.492 0.663 . . . . 0.0 109.458 179.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.1 -7.47 53.83 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.869 -0.519 . . . . 0.0 110.253 -179.395 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.511 ' CB ' ' O ' ' B' ' 58' ' ' GLU . 0.2 OUTLIER -72.94 -58.78 3.08 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.004 -1.06 . . . . 0.0 108.681 179.931 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.478 ' HB2' ' O ' ' B' ' 62' ' ' GLU . 27.7 t70 175.62 65.01 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.519 0 C-N-CA 119.976 -0.69 . . . . 0.0 109.494 179.682 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . 0.584 ' O ' ' N ' ' B' ' 66' ' ' GLY . . . -91.13 20.0 42.88 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 108.903 -1.679 . . . . 0.0 108.903 179.372 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.519 ' N ' ' HE2' ' B' ' 29' ' ' LYS . 12.0 t70 -34.97 -25.09 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.95 -0.735 . . . . 0.0 111.258 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . 0.584 ' N ' ' O ' ' B' ' 64' ' ' GLY . . . -86.47 171.2 43.42 Favored Glycine 0 N--CA 1.483 1.83 0 N-CA-C 109.403 -1.479 . . . . 0.0 109.403 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.555 ' HA ' ' HA ' ' B' ' 28' ' ' LYS . 14.7 mt-10 -76.03 157.75 32.65 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.598 -0.943 . . . . 0.0 110.733 -178.601 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.446 ' HB3' ' CG ' ' B' ' 72' ' ' GLU . 39.6 m -111.23 168.54 9.43 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.698 -0.852 . . . . 0.0 108.698 179.594 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -99.74 175.87 5.65 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.819 -1.176 . . . . 0.0 109.349 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.602 ' CZ ' HG12 ' B' ' 11' ' ' ILE . 11.0 t80 -75.26 -28.36 59.78 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.313 -0.867 . . . . 0.0 109.597 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.14 -31.04 55.35 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.228 -0.92 . . . . 0.0 110.21 -179.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.566 ' HG3' ' N ' ' B' ' 73' ' ' PHE . 1.4 pt-20 -77.04 -44.59 30.22 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 120.935 -1.103 . . . . 0.0 108.452 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.869 ' HD2' HD13 ' B' ' 32' ' ' LEU . 0.1 OUTLIER -69.05 -21.39 64.1 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 178.914 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.994 ' CE ' HD22 ' B' ' 10' ' ' LEU . 0.1 OUTLIER -76.01 -53.65 8.04 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.627 -0.671 . . . . 0.0 109.374 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.51 ' O ' ' HG3' ' B' ' 79' ' ' MET . . . -71.66 -18.94 62.15 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.286 -0.884 . . . . 0.0 108.976 179.721 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.888 ' CE2' HG12 ' B' ' 56' ' ' VAL . 2.9 m-85 -80.46 -33.37 36.77 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.435 -0.791 . . . . 0.0 110.026 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 1.103 HG12 ' HE3' ' A' ' 7' ' ' MET . 77.5 t -76.61 -29.19 18.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.1 -1.0 . . . . 0.0 109.765 -179.594 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . 0.699 ' HA ' ' HE1' ' A' ' 7' ' ' MET . 55.1 m -78.87 -34.48 44.89 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.191 -0.943 . . . . 0.0 110.091 -179.626 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . 0.598 ' HB3' HG13 ' B' ' 52' ' ' VAL . 2.4 mmm -64.17 -45.59 87.73 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 121.032 -1.043 . . . . 0.0 110.01 -179.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.989 HG21 HG21 ' B' ' 36' ' ' ILE . 16.2 m -72.37 -42.16 65.13 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 O-C-N 121.268 -0.895 . . . . 0.0 110.572 -179.199 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.934 HG21 ' CG ' ' A' ' 7' ' ' MET . 5.8 m -62.26 -12.48 20.77 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.934 -1.104 . . . . 0.0 109.962 -179.544 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 69.0 p -114.41 -8.48 12.83 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.074 -1.016 . . . . 0.0 109.55 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.619 ' HB1' ' HB2' ' B' ' 49' ' ' GLU . . . . . . . . 0 N--CA 1.49 1.536 0 O-C-N 121.312 -0.867 . . . . 0.0 109.537 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 121.363 0.601 . . . . 0.0 109.645 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.761 ' HB3' HG22 ' B' ' 13' ' ' VAL . 0.0 OUTLIER -73.42 -57.01 4.31 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.29 -0.881 . . . . 0.0 109.444 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.871 HD22 HD12 ' B' ' 35' ' ' LEU . 9.0 tp -61.8 -38.08 86.76 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.305 -0.872 . . . . 0.0 109.726 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.55 ' HA ' ' CD2' ' B' ' 40' ' ' LEU . 1.2 tt0 -62.46 -53.61 52.36 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.12 -0.988 . . . . 0.0 110.198 -179.333 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.433 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 5.9 mttm -62.01 -36.61 82.05 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.855 -1.153 . . . . 0.0 110.7 -179.113 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.52 ' HB1' ' HB3' ' B' ' 9' ' ' ALA . . . -80.32 -70.43 0.52 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.064 -1.022 . . . . 0.0 110.453 -179.181 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 1.045 ' HE2' HG12 ' B' ' 77' ' ' VAL . 0.2 OUTLIER -45.99 -53.81 9.42 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.381 -0.824 . . . . 0.0 109.874 -179.389 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 4' ' ' GLU . 33.0 t -56.9 -36.71 51.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 C-N-CA 119.527 -0.869 . . . . 0.0 109.088 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.528 ' HB3' ' HB1' ' B' ' 6' ' ' ALA . . . -52.05 -43.06 63.61 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 179.092 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.56 HD22 ' SD ' ' A' ' 74' ' ' MET . 0.2 OUTLIER -51.82 -51.84 53.59 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 179.122 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.6 mp -49.59 -39.94 14.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 179.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -50.57 -51.13 51.03 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.353 -0.842 . . . . 0.0 109.239 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.75 HG22 ' HB3' ' B' ' 2' ' ' GLU . 43.9 t -55.0 -35.08 33.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.531 -0.73 . . . . 0.0 109.447 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.679 ' CE1' HD23 ' A' ' 27' ' ' LEU . 19.2 t80 -63.42 -37.74 88.46 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.218 -0.926 . . . . 0.0 109.649 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 20.6 t-80 -75.6 -12.42 60.21 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.149 -0.969 . . . . 0.0 109.583 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -86.96 -53.46 4.87 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.274 -0.891 . . . . 0.0 109.411 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.725 ' CD1' HD21 ' A' ' 35' ' ' LEU . 78.9 m-85 -76.27 -25.45 54.93 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.218 -0.927 . . . . 0.0 109.907 -179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.646 0 O-C-N 121.087 -1.008 . . . . 0.0 109.495 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.473 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 6.9 t60 . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.786 ' O ' HD22 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -145.29 160.69 41.12 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.062 -1.024 . . . . 0.0 109.98 -179.904 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.786 HD22 ' O ' ' A' ' 26' ' ' LYS . 0.6 OUTLIER -140.94 -161.11 1.16 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.414 -0.804 . . . . 0.0 109.058 179.922 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.24 163.37 37.84 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.189 -0.944 . . . . 0.0 109.623 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.49 ' HG3' ' HB3' ' A' ' 63' ' ' ASP . 19.4 mmtp -73.92 -27.01 60.82 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.379 -0.826 . . . . 0.0 109.429 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.59 -43.38 20.68 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.303 -0.873 . . . . 0.0 109.459 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.507 ' O ' ' HB2' ' A' ' 35' ' ' LEU . 2.5 tt0 -73.72 -25.07 60.02 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.236 -0.915 . . . . 0.0 108.592 179.586 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.485 ' O ' HG13 ' A' ' 36' ' ' ILE . 34.1 tp -77.65 -47.6 18.86 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 179.431 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.56 ' HB2' HD22 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -57.97 -43.08 86.29 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 179.16 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.583 ' HG3' ' N ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -71.57 -31.69 67.25 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 179.599 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.882 HD12 HD22 ' B' ' 3' ' ' LEU . 0.1 OUTLIER -58.31 -37.12 74.44 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.586 -0.696 . . . . 0.0 109.282 179.447 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.599 HG21 HG21 ' A' ' 80' ' ' VAL . 0.8 OUTLIER -80.32 -57.1 5.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.354 -0.841 . . . . 0.0 110.489 -179.369 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.536 ' O ' ' CB ' ' A' ' 41' ' ' SER . 35.5 t-20 -66.22 -63.03 1.17 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.245 -0.91 . . . . 0.0 110.548 -178.681 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.537 ' CB ' ' OE1' ' A' ' 34' ' ' GLU . 1.4 t-20 -49.48 -55.73 12.24 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.931 -1.106 . . . . 0.0 110.791 -178.581 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.629 ' HG3' HD13 ' A' ' 35' ' ' LEU . 6.4 mm-40 -70.64 -75.27 0.12 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.058 -1.026 . . . . 0.0 111.232 -178.54 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.696 ' HG ' HD23 ' B' ' 3' ' ' LEU . 10.3 mt -61.41 -98.23 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.313 0 O-C-N 120.944 -1.097 . . . . 0.0 110.288 -178.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.536 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 15.3 t 40.81 41.0 1.08 Allowed 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.142 -0.973 . . . . 0.0 109.79 -179.598 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -113.16 -21.68 10.89 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.157 -0.964 . . . . 0.0 109.658 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -129.31 30.82 4.93 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.212 -0.93 . . . . 0.0 109.452 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.665 HD21 HG12 ' A' ' 47' ' ' ILE . 0.7 OUTLIER -105.47 116.31 31.72 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.242 -0.912 . . . . 0.0 109.545 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.586 ' N ' HD13 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -143.5 -59.1 0.41 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.239 -0.913 . . . . 0.0 109.729 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.471 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 26.1 mt-10 -109.61 -23.1 11.64 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.256 -0.903 . . . . 0.0 109.539 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.665 HG12 HD21 ' A' ' 44' ' ' LEU . 72.3 mt 62.85 136.96 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.256 -0.903 . . . . 0.0 109.582 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.3 tttm -109.71 -66.56 1.05 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.318 -0.863 . . . . 0.0 109.049 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.74 ' OE1' HG23 ' A' ' 52' ' ' VAL . 11.0 mm-40 -67.56 86.19 0.19 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.34 -0.85 . . . . 0.0 109.044 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.535 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 14.9 tt0 -63.22 -25.24 68.24 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.237 -0.914 . . . . 0.0 109.487 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.46 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -80.47 -33.37 36.71 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.278 -0.889 . . . . 0.0 109.919 -179.849 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.75 ' O ' HG22 ' A' ' 56' ' ' VAL . 60.8 t -72.53 -47.37 51.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.249 -0.907 . . . . 0.0 109.807 -179.715 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.427 ' O ' ' CB ' ' A' ' 57' ' ' MET . 59.8 t -75.6 -26.26 18.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.162 -0.962 . . . . 0.0 109.236 -179.747 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.535 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 33.0 t70 -80.92 -24.97 37.84 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.403 -0.811 . . . . 0.0 109.371 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.569 ' HG3' ' N ' ' A' ' 56' ' ' VAL . 0.1 OUTLIER -77.55 -39.83 44.57 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 120.875 -1.14 . . . . 0.0 109.254 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.75 HG22 ' O ' ' A' ' 52' ' ' VAL . 2.9 m -81.04 -34.63 13.8 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 O-C-N 121.205 -0.935 . . . . 0.0 108.721 179.428 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.427 ' CB ' ' O ' ' A' ' 53' ' ' VAL . 2.3 ttm -75.3 -25.96 58.32 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 179.55 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.482 ' CG ' ' O ' ' A' ' 54' ' ' ASP . 72.2 mt-10 -80.08 -50.09 10.84 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.207 -0.933 . . . . 0.0 108.545 179.079 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.0 m -63.71 -29.55 70.76 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 178.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.56 HD22 ' HB2' ' A' ' 33' ' ' LYS . 9.8 mt -67.42 -56.29 10.24 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 179.439 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.49 -0.51 37.73 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.448 -0.783 . . . . 0.0 109.748 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.482 ' HB2' ' O ' ' A' ' 58' ' ' GLU . 74.4 tt0 -79.97 -37.4 34.45 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.163 -0.961 . . . . 0.0 109.674 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.49 ' HB3' ' HG3' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -106.42 -67.77 0.92 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.344 -0.848 . . . . 0.0 109.469 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.43 ' CA ' ' HB2' ' A' ' 29' ' ' LYS . . . 85.7 -54.74 4.82 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.679 -1.368 . . . . 0.0 109.679 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -100.26 23.21 10.38 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.164 -1.198 . . . . 0.0 109.625 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -95.69 161.7 23.0 Favored Glycine 0 N--CA 1.488 2.133 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -104.1 148.22 26.52 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.23 -1.159 . . . . 0.0 109.439 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.447 ' SG ' ' HD3' ' A' ' 29' ' ' LYS . 3.4 m -117.53 173.42 6.73 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.232 -0.918 . . . . 0.0 109.574 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -108.4 -177.91 3.45 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.261 -0.899 . . . . 0.0 109.129 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.615 ' CE2' ' HG3' ' A' ' 71' ' ' GLN . 36.5 p90 -79.96 -33.06 39.85 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.004 -1.06 . . . . 0.0 109.368 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.615 ' HG3' ' CE2' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -79.02 -23.85 44.07 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.073 -1.017 . . . . 0.0 108.603 179.073 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -77.1 -54.9 5.95 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.449 -0.782 . . . . 0.0 108.898 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.662 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -62.72 -25.9 68.41 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.211 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.56 ' SD ' HD22 ' A' ' 10' ' ' LEU . 6.2 mmm -71.42 -52.01 20.84 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.579 -0.7 . . . . 0.0 109.44 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.494 ' O ' ' HG3' ' A' ' 79' ' ' MET . . . -68.39 -20.82 64.71 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.188 -0.945 . . . . 0.0 109.072 179.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.728 ' O ' HG22 ' A' ' 80' ' ' VAL . 0.7 OUTLIER -74.92 -35.31 62.21 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.51 -0.744 . . . . 0.0 109.316 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.966 HG12 ' HE2' ' B' ' 7' ' ' MET . 87.6 t -73.1 -26.06 22.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.383 -0.823 . . . . 0.0 109.805 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.6 m -78.67 -41.47 31.13 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.183 -0.948 . . . . 0.0 110.572 -179.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.601 ' HB3' HG13 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -61.73 -42.25 98.71 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.088 -1.007 . . . . 0.0 110.247 -179.318 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.745 HG13 HG21 ' A' ' 56' ' ' VAL . 3.2 m -79.92 -38.52 18.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.093 -1.004 . . . . 0.0 110.932 -179.093 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.756 HG21 ' HG3' ' B' ' 7' ' ' MET . 45.3 m -66.88 -6.83 17.98 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.858 -1.151 . . . . 0.0 109.892 -179.555 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.448 ' HB ' ' HG2' ' B' ' 71' ' ' GLN . 2.4 p -111.1 -26.73 9.07 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.045 -1.035 . . . . 0.0 109.727 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.656 0 O-C-N 121.273 -0.892 . . . . 0.0 109.518 -179.921 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.312 0.577 . . . . 0.0 109.726 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.75 ' HB3' HG22 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -73.45 -56.95 4.37 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.301 -0.874 . . . . 0.0 109.481 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.882 HD22 HD12 ' A' ' 35' ' ' LEU . 9.0 tp -61.76 -38.14 86.9 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.368 -0.832 . . . . 0.0 109.716 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.545 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 1.2 tt0 -62.37 -53.65 51.93 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.146 -0.971 . . . . 0.0 110.229 -179.287 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.43 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 5.9 mttm -62.07 -36.58 82.09 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.904 -1.123 . . . . 0.0 110.645 -179.132 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.528 ' HB1' ' HB3' ' A' ' 9' ' ' ALA . . . -80.26 -70.44 0.52 Allowed 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.984 -1.072 . . . . 0.0 110.43 -179.168 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . 0.966 ' HE2' HG12 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -46.08 -53.77 9.69 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.373 -0.829 . . . . 0.0 109.875 -179.282 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.533 HG23 ' O ' ' B' ' 4' ' ' GLU . 32.3 t -56.88 -36.59 50.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 C-N-CA 119.568 -0.853 . . . . 0.0 109.151 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.52 ' HB3' ' HB1' ' A' ' 6' ' ' ALA . . . -52.22 -43.04 64.05 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 179.088 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.564 HD22 ' SD ' ' B' ' 74' ' ' MET . 0.2 OUTLIER -51.79 -51.75 54.1 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.069 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 1.6 mp -49.62 -40.05 14.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 179.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -50.56 -51.06 51.59 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.379 -0.825 . . . . 0.0 109.177 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . 0.761 HG22 ' HB3' ' A' ' 2' ' ' GLU . 44.0 t -55.03 -35.06 33.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.405 -0.809 . . . . 0.0 109.463 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.669 ' CE1' HD23 ' B' ' 27' ' ' LEU . 19.0 t80 -63.34 -37.86 88.89 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.17 -0.956 . . . . 0.0 109.68 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 -75.62 -12.38 60.2 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.128 -0.982 . . . . 0.0 109.54 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -86.98 -53.5 4.85 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.27 -0.894 . . . . 0.0 109.43 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.713 ' CD1' HD21 ' B' ' 35' ' ' LEU . 78.8 m-85 -76.36 -25.24 54.46 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.205 -0.934 . . . . 0.0 109.882 -179.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.598 0 O-C-N 121.104 -0.997 . . . . 0.0 109.447 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . 0.475 ' CD2' ' O ' ' B' ' 25' ' ' HIS . 6.9 t60 . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.785 ' O ' HD22 ' B' ' 27' ' ' LEU . 0.0 OUTLIER -145.31 160.66 41.18 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.029 -1.044 . . . . 0.0 109.945 -179.879 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.785 HD22 ' O ' ' B' ' 26' ' ' LYS . 0.6 OUTLIER -140.96 -161.05 1.15 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.468 -0.77 . . . . 0.0 109.07 179.887 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.34 163.3 38.12 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.165 -0.96 . . . . 0.0 109.582 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.495 ' HG3' ' HB3' ' B' ' 63' ' ' ASP . 19.4 mmtp -73.72 -27.16 61.05 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.24 -0.912 . . . . 0.0 109.453 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.65 -43.26 20.72 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.308 -0.87 . . . . 0.0 109.489 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.509 ' O ' ' HB2' ' B' ' 35' ' ' LEU . 2.5 tt0 -73.8 -24.97 59.89 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.205 -0.934 . . . . 0.0 108.548 179.552 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.487 ' O ' HG13 ' B' ' 36' ' ' ILE . 33.9 tp -77.74 -47.57 18.74 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 179.472 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.561 ' HB2' HD22 ' B' ' 60' ' ' LEU . 0.1 OUTLIER -58.05 -43.1 86.7 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 179.248 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.568 ' HG3' ' N ' ' B' ' 35' ' ' LEU . 0.1 OUTLIER -71.56 -31.72 67.31 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.672 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.871 HD12 HD22 ' A' ' 3' ' ' LEU . 0.1 OUTLIER -58.21 -37.12 74.2 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.552 -0.717 . . . . 0.0 109.333 179.377 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.599 HG21 HG21 ' B' ' 80' ' ' VAL . 0.8 OUTLIER -80.49 -56.99 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.33 -0.856 . . . . 0.0 110.455 -179.297 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.528 ' O ' ' CB ' ' B' ' 41' ' ' SER . 35.4 t-20 -66.24 -63.02 1.17 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.346 -0.846 . . . . 0.0 110.587 -178.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.526 ' CB ' ' OE1' ' B' ' 34' ' ' GLU . 1.4 t-20 -49.44 -55.74 12.1 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.958 -1.088 . . . . 0.0 110.854 -178.671 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.613 ' HG3' HD13 ' B' ' 35' ' ' LEU . 6.4 mm-40 -70.69 -75.26 0.12 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.003 -1.061 . . . . 0.0 111.16 -178.501 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.709 ' HG ' HD23 ' A' ' 3' ' ' LEU . 10.4 mt -61.45 -98.29 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.353 0 O-C-N 120.991 -1.068 . . . . 0.0 110.232 -178.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.528 ' CB ' ' O ' ' B' ' 37' ' ' ASN . 15.3 t 40.88 41.05 1.12 Allowed 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.229 -0.919 . . . . 0.0 109.708 -179.633 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -113.23 -21.72 10.84 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.089 -1.007 . . . . 0.0 109.55 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -129.26 30.93 4.93 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.244 -0.91 . . . . 0.0 109.416 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.664 HD21 HG12 ' B' ' 47' ' ' ILE . 0.7 OUTLIER -105.54 116.44 31.95 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.216 -0.927 . . . . 0.0 109.537 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.599 ' N ' HD13 ' B' ' 44' ' ' LEU . 0.1 OUTLIER -143.59 -59.17 0.41 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.235 -0.916 . . . . 0.0 109.675 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . 0.475 ' O ' ' HB ' ' B' ' 47' ' ' ILE . 25.9 mt-10 -109.58 -23.1 11.65 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.263 -0.898 . . . . 0.0 109.482 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.664 HG12 HD21 ' B' ' 44' ' ' LEU . 71.8 mt 62.91 137.04 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.284 -0.885 . . . . 0.0 109.585 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 13.2 tttm -109.78 -66.66 1.05 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.288 -0.882 . . . . 0.0 109.007 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.746 ' OE1' HG23 ' B' ' 52' ' ' VAL . 11.1 mm-40 -67.48 86.18 0.18 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.281 -0.887 . . . . 0.0 109.092 179.567 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . 0.527 ' O ' ' CB ' ' B' ' 54' ' ' ASP . 14.9 tt0 -63.3 -25.23 68.22 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.221 -0.924 . . . . 0.0 109.414 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.463 ' O ' ' HG2' ' B' ' 55' ' ' LYS . 0.6 OUTLIER -80.49 -33.44 36.55 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.225 -0.922 . . . . 0.0 109.858 -179.827 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.746 HG23 ' OE1' ' B' ' 49' ' ' GLU . 60.8 t -72.5 -47.37 51.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.223 -0.923 . . . . 0.0 109.841 -179.672 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.434 ' O ' ' CB ' ' B' ' 57' ' ' MET . 59.0 t -75.44 -26.43 18.45 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.143 -0.973 . . . . 0.0 109.273 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . 0.527 ' CB ' ' O ' ' B' ' 50' ' ' GLN . 32.9 t70 -80.88 -24.85 38.02 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.342 -0.849 . . . . 0.0 109.44 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . 0.562 ' HG3' ' N ' ' B' ' 56' ' ' VAL . 0.1 OUTLIER -77.6 -39.81 44.23 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.896 -1.127 . . . . 0.0 109.306 179.853 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.769 HG21 HG13 ' B' ' 80' ' ' VAL . 2.9 m -81.02 -34.67 13.84 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.321 0 O-C-N 121.034 -1.041 . . . . 0.0 108.702 179.422 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.434 ' CB ' ' O ' ' B' ' 53' ' ' VAL . 2.3 ttm -75.22 -26.05 58.64 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 179.484 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . 0.485 ' O ' ' HB2' ' B' ' 62' ' ' GLU . 72.4 mt-10 -80.06 -49.99 10.98 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.2 -0.938 . . . . 0.0 108.549 179.111 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 3.1 m -63.8 -29.65 70.83 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 178.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.561 HD22 ' HB2' ' B' ' 33' ' ' LYS . 9.8 mt -67.29 -56.27 10.46 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 179.439 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.51 -0.47 37.65 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.564 -0.71 . . . . 0.0 109.825 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.485 ' HB2' ' O ' ' B' ' 58' ' ' GLU . 74.4 tt0 -80.0 -37.41 34.27 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.146 -0.972 . . . . 0.0 109.583 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.495 ' HB3' ' HG3' ' B' ' 29' ' ' LYS . 0.2 OUTLIER -106.46 -67.76 0.92 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.27 -0.894 . . . . 0.0 109.461 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . 0.422 ' CA ' ' HB2' ' B' ' 29' ' ' LYS . . . 85.65 -54.75 4.83 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.757 -1.337 . . . . 0.0 109.757 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -100.16 23.13 10.4 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.097 -1.237 . . . . 0.0 109.615 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -95.66 161.75 23.04 Favored Glycine 0 N--CA 1.487 2.049 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -104.14 148.25 26.49 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.329 -1.101 . . . . 0.0 109.468 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.453 ' SG ' ' HD3' ' B' ' 29' ' ' LYS . 3.3 m -117.5 173.47 6.69 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.163 -0.96 . . . . 0.0 109.583 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -108.43 -177.96 3.47 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.336 -0.853 . . . . 0.0 109.198 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.612 ' CE2' ' HG3' ' B' ' 71' ' ' GLN . 36.7 p90 -79.89 -33.0 40.3 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.026 -1.046 . . . . 0.0 109.479 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.612 ' HG3' ' CE2' ' B' ' 70' ' ' PHE . 0.1 OUTLIER -79.03 -23.95 43.96 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.113 -0.992 . . . . 0.0 108.547 179.09 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -77.0 -54.82 6.07 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.401 -0.812 . . . . 0.0 108.881 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.659 ' O ' HG23 ' B' ' 77' ' ' VAL . 0.0 OUTLIER -62.81 -25.9 68.48 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.279 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.564 ' SD ' HD22 ' B' ' 10' ' ' LEU . 6.2 mmm -71.45 -51.95 21.08 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.58 -0.7 . . . . 0.0 109.435 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.495 ' O ' ' HG3' ' B' ' 79' ' ' MET . . . -68.42 -20.82 64.68 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.136 -0.977 . . . . 0.0 109.091 179.725 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.715 ' O ' HG22 ' B' ' 80' ' ' VAL . 0.7 OUTLIER -74.93 -35.3 62.18 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.383 -0.823 . . . . 0.0 109.352 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 1.045 HG12 ' HE2' ' A' ' 7' ' ' MET . 88.1 t -73.04 -26.14 22.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.38 -0.825 . . . . 0.0 109.832 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 50.8 m -78.51 -41.54 32.09 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.23 -0.919 . . . . 0.0 110.678 -179.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . 0.609 ' HB3' HG13 ' B' ' 52' ' ' VAL . 0.0 OUTLIER -61.7 -42.3 98.76 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.02 -1.05 . . . . 0.0 110.249 -179.267 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.769 HG13 HG21 ' B' ' 56' ' ' VAL . 3.2 m -79.97 -38.47 18.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.086 -1.009 . . . . 0.0 110.876 -178.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.78 HG21 ' HG3' ' A' ' 7' ' ' MET . 46.0 m -66.98 -6.76 18.14 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.88 -1.138 . . . . 0.0 109.808 -179.524 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.435 ' HB ' ' HG2' ' A' ' 71' ' ' GLN . 2.4 p -111.14 -26.79 9.02 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.086 -1.009 . . . . 0.0 109.679 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.626 0 O-C-N 121.189 -0.944 . . . . 0.0 109.563 -179.918 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . 0.466 ' HB2' ' OE1' ' B' ' 39' ' ' GLU . 28.9 p . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 121.406 0.622 . . . . 0.0 109.618 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.909 ' HB2' HG22 ' B' ' 13' ' ' VAL . 30.3 mm-40 -80.42 -41.01 25.3 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.309 -0.869 . . . . 0.0 109.925 -179.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.85 HD22 HD12 ' B' ' 35' ' ' LEU . 7.3 tp -69.93 -39.81 75.88 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.295 -0.878 . . . . 0.0 110.71 -179.116 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.683 ' O ' HG23 ' A' ' 8' ' ' VAL . 37.4 mt-10 -73.26 -65.74 0.77 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.954 -1.091 . . . . 0.0 110.667 -178.629 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.4 -34.03 56.15 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 120.789 -1.194 . . . . 0.0 110.125 -179.065 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.618 ' CB ' ' HB3' ' B' ' 9' ' ' ALA . . . -81.34 -68.73 0.67 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.149 -0.97 . . . . 0.0 110.883 -179.366 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.815 ' HE2' HG12 ' B' ' 77' ' ' VAL . 1.6 tpt -52.19 -53.15 46.87 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.176 -0.952 . . . . 0.0 109.822 -178.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 4' ' ' GLU . 8.6 t -54.28 -31.09 21.76 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 O-C-N 121.49 -0.756 . . . . 0.0 109.313 -179.731 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.617 ' HB3' ' HB1' ' B' ' 6' ' ' ALA . . . -66.92 -42.94 84.53 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.078 -1.014 . . . . 0.0 109.192 179.533 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.668 HD21 HG11 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -50.81 -49.66 58.03 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.259 -0.901 . . . . 0.0 108.642 179.303 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.7 mt -49.39 -41.29 15.13 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -52.09 -52.91 48.33 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 179.447 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.92 HG22 ' HB2' ' B' ' 2' ' ' GLU . 96.9 t -45.84 -41.39 3.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.319 -0.863 . . . . 0.0 109.133 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.831 ' CD2' HD12 ' A' ' 27' ' ' LEU . 39.7 t80 -66.09 -41.8 90.18 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.277 -0.889 . . . . 0.0 109.244 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.433 ' O ' ' CG ' ' A' ' 15' ' ' HIS . 30.6 t-80 -86.91 10.72 15.34 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.327 -0.858 . . . . 0.0 109.181 179.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -107.12 -45.26 4.17 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.333 -0.855 . . . . 0.0 109.553 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.628 ' CG ' HD21 ' A' ' 35' ' ' LEU . 20.1 m-85 -82.57 -30.26 29.73 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.191 -0.943 . . . . 0.0 109.57 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.5 t . . . . . 0 N--CA 1.49 1.526 0 O-C-N 121.165 -0.959 . . . . 0.0 109.57 -179.968 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 120.89 0.376 . . . . 0.0 110.227 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.31 132.02 14.97 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.97 -1.081 . . . . 0.0 109.513 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.831 HD12 ' CD2' ' A' ' 14' ' ' PHE . 0.4 OUTLIER -91.37 -159.22 0.62 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.168 -0.958 . . . . 0.0 109.274 179.727 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.46 ' HA ' ' HA ' ' A' ' 67' ' ' GLU . 12.0 mtmt -145.75 157.93 43.9 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.113 -0.992 . . . . 0.0 109.5 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.483 ' HE2' ' HB2' ' A' ' 63' ' ' ASP . 1.9 mtpp -71.8 -26.99 62.63 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.218 -0.926 . . . . 0.0 109.377 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.0 t -80.14 -36.31 35.39 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.259 -0.901 . . . . 0.0 109.297 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.513 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 1.3 tt0 -82.06 -18.0 44.7 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 179.192 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.525 ' O ' HG13 ' A' ' 36' ' ' ILE . 14.2 tp -80.87 -43.91 19.18 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 178.45 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.685 ' HB2' HD22 ' A' ' 60' ' ' LEU . 16.5 ttpp -56.86 -38.54 72.86 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 179.044 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.557 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 7.3 pt-20 -77.74 -39.68 43.58 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 179.695 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.846 HD12 HD22 ' B' ' 3' ' ' LEU . 0.1 OUTLIER -48.8 -46.81 42.27 Favored 'General case' 0 C--N 1.296 -1.745 0 O-C-N 121.577 -0.702 . . . . 0.0 109.3 179.776 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.785 HG22 HD22 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -81.4 -54.55 9.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.389 -0.819 . . . . 0.0 110.837 -179.356 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -71.88 2.41 5.57 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.223 -0.923 . . . . 0.0 111.449 -178.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.557 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 1.2 t30 -111.34 -50.38 2.94 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.805 -1.185 . . . . 0.0 109.496 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.508 ' O ' ' HB3' ' B' ' 3' ' ' LEU . 0.0 OUTLIER -140.94 41.41 1.82 Allowed 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.233 -0.917 . . . . 0.0 109.611 179.907 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.859 ' HA ' HD23 ' B' ' 3' ' ' LEU . 0.5 OUTLIER -61.1 -78.11 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.097 -1.002 . . . . 0.0 108.659 179.53 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.609 ' HB3' HG22 ' B' ' 8' ' ' VAL . 1.6 p -162.65 44.03 0.13 Allowed 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.305 -0.872 . . . . 0.0 108.76 179.61 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 49.12 23.74 0.81 Allowed 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.347 -0.846 . . . . 0.0 109.115 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.551 ' O ' HD12 ' A' ' 44' ' ' LEU . 11.2 m-85 -110.88 102.91 11.38 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.496 -0.753 . . . . 0.0 109.434 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.551 HD12 ' O ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -176.78 90.76 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.279 -0.888 . . . . 0.0 109.521 -179.807 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.506 ' HG3' ' N ' ' A' ' 46' ' ' GLU . 3.8 pt-20 -176.81 -32.99 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.202 -0.936 . . . . 0.0 109.553 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.506 ' N ' ' HG3' ' A' ' 45' ' ' GLU . 14.7 mt-10 -103.56 -59.83 1.66 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.28 -0.888 . . . . 0.0 109.554 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.457 ' HB ' ' O ' ' A' ' 46' ' ' GLU . 24.1 mt 67.26 109.93 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.376 -0.828 . . . . 0.0 109.522 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.27 -42.53 5.24 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.369 -0.832 . . . . 0.0 109.225 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.632 ' OE1' HG23 ' A' ' 52' ' ' VAL . 10.7 mm-40 -88.87 73.55 8.37 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.24 -0.913 . . . . 0.0 109.313 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.53 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 29.4 tt0 -55.99 -22.58 27.65 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.351 -0.843 . . . . 0.0 109.421 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -79.12 -42.8 25.42 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.173 -0.954 . . . . 0.0 109.599 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.632 HG23 ' OE1' ' A' ' 49' ' ' GLU . 51.1 t -61.23 -60.98 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.291 -0.881 . . . . 0.0 109.391 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.543 ' O ' ' CB ' ' A' ' 57' ' ' MET . 71.6 t -62.32 -28.07 43.88 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 O-C-N 121.35 -0.844 . . . . 0.0 109.64 -179.552 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.53 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 10.9 t0 -72.37 -24.96 61.34 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.921 -1.112 . . . . 0.0 108.952 179.549 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.668 ' CD ' ' HE3' ' A' ' 79' ' ' MET . 0.2 OUTLIER -80.82 -56.79 3.89 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.392 -0.818 . . . . 0.0 109.941 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.594 HG23 ' N ' ' A' ' 57' ' ' MET . 33.7 m -65.89 -48.19 82.85 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.36 0 O-C-N 120.961 -1.087 . . . . 0.0 108.838 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.594 ' N ' HG23 ' A' ' 56' ' ' VAL . 0.2 OUTLIER -60.01 -23.2 63.48 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.393 -0.817 . . . . 0.0 108.882 179.226 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.474 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 1.8 mt-10 -68.17 -54.33 18.66 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.272 -0.892 . . . . 0.0 109.253 179.662 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.68 -29.91 70.39 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.474 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.685 HD22 ' HB2' ' A' ' 33' ' ' LYS . 8.9 mt -62.44 -51.47 67.36 Favored 'General case' 0 C--N 1.302 -1.46 0 CA-C-O 121.514 0.673 . . . . 0.0 109.248 179.47 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.85 -4.51 52.53 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.465 -0.772 . . . . 0.0 109.562 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -71.33 -67.42 0.52 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.158 -0.964 . . . . 0.0 109.625 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.483 ' HB2' ' HE2' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -87.91 -48.21 7.98 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.347 -0.845 . . . . 0.0 109.562 -179.822 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.4 -52.61 4.51 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.581 -1.408 . . . . 0.0 109.581 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -123.05 78.69 1.58 Allowed 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.188 -1.183 . . . . 0.0 109.505 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.454 ' HA3' ' HD2' ' A' ' 29' ' ' LYS . . . -129.44 -161.33 10.51 Favored Glycine 0 N--CA 1.486 2.01 0 N-CA-C 109.486 -1.446 . . . . 0.0 109.486 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.46 ' HA ' ' HA ' ' A' ' 28' ' ' LYS . 24.0 mt-10 -120.99 132.68 55.06 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.25 -1.147 . . . . 0.0 109.458 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 97.6 m -104.64 179.32 4.3 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.256 -0.902 . . . . 0.0 108.93 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -134.08 154.7 51.01 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.061 -1.025 . . . . 0.0 109.53 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 1.132 ' CE2' HG23 ' B' ' 82' ' ' THR . 0.1 OUTLIER -47.84 -26.04 1.51 Allowed 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.316 -0.865 . . . . 0.0 110.441 -179.808 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 1.031 ' HG2' HG21 ' B' ' 82' ' ' THR . 0.8 OUTLIER -79.52 -52.38 8.1 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.094 -1.004 . . . . 0.0 109.452 179.566 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.57 ' OE2' ' CE1' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -57.85 -56.98 14.96 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.308 -0.87 . . . . 0.0 109.836 -179.683 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.547 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -56.06 -18.15 8.87 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.122 -0.986 . . . . 0.0 108.967 179.773 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.634 ' HA ' ' HE3' ' A' ' 74' ' ' MET . 0.7 OUTLIER -79.35 -60.05 2.52 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.126 -0.984 . . . . 0.0 109.917 -179.779 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.487 ' O ' ' HG3' ' A' ' 79' ' ' MET . . . -66.0 -17.19 64.52 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.606 -0.684 . . . . 0.0 109.326 -179.575 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.656 ' O ' HG22 ' A' ' 80' ' ' VAL . 2.2 m-85 -81.17 -33.57 32.96 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.472 -0.767 . . . . 0.0 109.842 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.894 HG12 ' HE2' ' B' ' 7' ' ' MET . 53.7 t -75.11 -29.37 21.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.182 -0.949 . . . . 0.0 109.952 -179.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.562 ' HA ' ' CE ' ' B' ' 7' ' ' MET . 2.4 p -78.69 -34.47 46.09 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.187 -0.946 . . . . 0.0 110.043 -179.495 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.668 ' HE3' ' CD ' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -65.23 -42.95 92.89 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.182 -0.949 . . . . 0.0 110.24 -179.54 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.737 HG21 HG21 ' A' ' 36' ' ' ILE . 6.3 m -80.91 -38.76 17.23 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.128 -0.982 . . . . 0.0 111.254 -178.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.76 HG21 ' HG3' ' B' ' 7' ' ' MET . 30.4 m -62.92 -11.74 20.55 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.869 -1.145 . . . . 0.0 109.738 -179.364 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 1.132 HG23 ' CE2' ' B' ' 70' ' ' PHE . 1.3 m -111.3 -26.74 8.99 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.254 -0.904 . . . . 0.0 109.306 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.5 ' CB ' HG23 ' A' ' 53' ' ' VAL . . . . . . . . 0 N--CA 1.491 1.613 0 O-C-N 121.061 -1.024 . . . . 0.0 110.748 -179.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . 0.452 ' HB2' ' OE1' ' A' ' 39' ' ' GLU . 28.7 p . . . . . 0 N--CA 1.489 1.514 0 CA-C-O 121.42 0.628 . . . . 0.0 109.572 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.92 ' HB2' HG22 ' A' ' 13' ' ' VAL . 30.2 mm-40 -80.39 -41.02 25.38 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.306 -0.871 . . . . 0.0 109.901 -179.696 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.859 HD23 ' HA ' ' A' ' 40' ' ' LEU . 7.3 tp -69.98 -39.73 75.76 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.339 -0.85 . . . . 0.0 110.701 -179.07 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.678 ' O ' HG23 ' B' ' 8' ' ' VAL . 37.1 mt-10 -73.24 -65.74 0.77 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.911 -1.118 . . . . 0.0 110.736 -178.713 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.4 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 0.0 OUTLIER -53.43 -34.04 56.32 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 120.705 -1.247 . . . . 0.0 109.993 -179.039 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.617 ' HB1' ' HB3' ' A' ' 9' ' ' ALA . . . -81.36 -68.83 0.66 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.081 -1.012 . . . . 0.0 110.828 -179.297 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . 0.894 ' HE2' HG12 ' A' ' 77' ' ' VAL . 1.6 tpt -52.11 -53.28 44.46 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.224 -0.923 . . . . 0.0 109.74 -178.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.678 HG23 ' O ' ' B' ' 4' ' ' GLU . 8.5 t -54.21 -31.05 21.43 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.622 0 O-C-N 121.45 -0.781 . . . . 0.0 109.389 -179.702 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.618 ' HB3' ' CB ' ' A' ' 6' ' ' ALA . . . -66.95 -42.98 84.31 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.031 -1.043 . . . . 0.0 109.147 179.523 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.662 HD21 HG11 ' B' ' 77' ' ' VAL . 0.2 OUTLIER -50.8 -49.57 58.2 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.248 -0.907 . . . . 0.0 108.567 179.336 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 1.7 mt -49.43 -41.33 15.33 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 179.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -52.05 -52.86 48.28 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.473 -0.767 . . . . 0.0 108.962 179.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . 0.909 HG22 ' HB2' ' A' ' 2' ' ' GLU . 95.3 t -45.81 -41.48 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.357 -0.84 . . . . 0.0 109.128 179.633 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.833 ' CD2' HD12 ' B' ' 27' ' ' LEU . 39.4 t80 -65.98 -41.9 90.52 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.243 -0.911 . . . . 0.0 109.302 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . 0.424 ' CG ' ' O ' ' B' ' 15' ' ' HIS . 30.6 t-80 -86.81 10.6 15.5 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.195 -0.941 . . . . 0.0 109.285 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -107.01 -45.27 4.2 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.388 -0.82 . . . . 0.0 109.637 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.62 ' CG ' HD21 ' B' ' 35' ' ' LEU . 19.9 m-85 -82.58 -30.35 29.65 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.248 -0.907 . . . . 0.0 109.515 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 5.4 t . . . . . 0 N--CA 1.49 1.534 0 O-C-N 121.185 -0.947 . . . . 0.0 109.582 -179.951 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 120.888 0.375 . . . . 0.0 110.257 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.4 132.09 14.94 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.012 -1.055 . . . . 0.0 109.513 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.833 HD12 ' CD2' ' B' ' 14' ' ' PHE . 0.4 OUTLIER -91.41 -159.09 0.61 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.292 -0.88 . . . . 0.0 109.257 179.72 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.468 ' HA ' ' HA ' ' B' ' 67' ' ' GLU . 12.2 mtmt -145.8 157.97 43.89 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.088 -1.007 . . . . 0.0 109.601 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.475 ' HE2' ' HB2' ' B' ' 63' ' ' ASP . 1.9 mtpp -71.71 -27.09 62.79 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.262 -0.899 . . . . 0.0 109.387 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 8.0 t -80.12 -36.22 35.61 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.296 -0.878 . . . . 0.0 109.373 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.519 ' O ' ' HG2' ' B' ' 34' ' ' GLU . 1.3 tp10 -82.16 -18.02 44.25 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 179.22 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.521 ' O ' HG13 ' B' ' 36' ' ' ILE . 14.2 tp -80.9 -43.91 19.12 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 178.439 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.691 ' HB2' HD22 ' B' ' 60' ' ' LEU . 16.6 ttpp -56.93 -38.62 73.16 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 179.098 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.556 ' O ' ' CB ' ' B' ' 38' ' ' ASN . 7.4 pt-20 -77.63 -39.72 44.3 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 179.69 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.85 HD12 HD22 ' A' ' 3' ' ' LEU . 0.1 OUTLIER -48.86 -46.7 42.71 Favored 'General case' 0 C--N 1.296 -1.744 0 O-C-N 121.642 -0.661 . . . . 0.0 109.314 179.763 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.799 HG22 HD22 ' B' ' 40' ' ' LEU . 0.2 OUTLIER -81.48 -54.48 9.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.419 -0.8 . . . . 0.0 110.823 -179.294 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -72.05 2.42 5.76 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.209 -0.932 . . . . 0.0 111.476 -178.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.556 ' CB ' ' O ' ' B' ' 34' ' ' GLU . 1.2 t30 -111.3 -50.42 2.94 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.827 -1.171 . . . . 0.0 109.537 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.508 ' O ' ' HG3' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -140.91 41.5 1.82 Allowed 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.217 -0.927 . . . . 0.0 109.652 179.857 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.831 ' HA ' HD23 ' A' ' 3' ' ' LEU . 0.5 OUTLIER -61.16 -78.23 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.138 -0.976 . . . . 0.0 108.625 179.494 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.63 ' HB3' HG22 ' A' ' 8' ' ' VAL . 1.6 p -162.57 43.97 0.13 Allowed 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.337 -0.852 . . . . 0.0 108.832 179.608 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 49.14 23.76 0.83 Allowed 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.483 -0.761 . . . . 0.0 109.075 -179.677 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . 0.544 ' O ' HD12 ' B' ' 44' ' ' LEU . 11.4 m-85 -110.79 102.86 11.36 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.397 -0.815 . . . . 0.0 109.457 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.544 HD12 ' O ' ' B' ' 43' ' ' PHE . 0.1 OUTLIER -176.8 90.68 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.339 -0.85 . . . . 0.0 109.533 -179.842 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.508 ' HG3' ' N ' ' B' ' 46' ' ' GLU . 3.8 pt-20 -176.76 -32.79 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.154 -0.966 . . . . 0.0 109.637 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . 0.508 ' N ' ' HG3' ' B' ' 45' ' ' GLU . 14.7 mt-10 -103.76 -59.75 1.68 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.182 -0.949 . . . . 0.0 109.486 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.452 ' HB ' ' O ' ' B' ' 46' ' ' GLU . 24.3 mt 67.24 110.06 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.365 -0.834 . . . . 0.0 109.501 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.42 -42.43 5.24 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.235 -0.915 . . . . 0.0 109.231 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.636 ' OE1' HG23 ' B' ' 52' ' ' VAL . 10.6 mm-40 -88.94 73.68 8.3 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.34 -0.85 . . . . 0.0 109.252 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . 0.524 ' O ' ' CB ' ' B' ' 54' ' ' ASP . 29.4 tt0 -56.01 -22.63 28.12 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.34 -0.85 . . . . 0.0 109.381 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -79.16 -42.73 25.47 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.167 -0.958 . . . . 0.0 109.587 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.636 HG23 ' OE1' ' B' ' 49' ' ' GLU . 50.8 t -61.35 -60.94 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.17 -0.956 . . . . 0.0 109.418 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.54 ' O ' ' CB ' ' B' ' 57' ' ' MET . 72.7 t -62.21 -28.08 43.82 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 O-C-N 121.246 -0.909 . . . . 0.0 109.695 -179.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . 0.524 ' CB ' ' O ' ' B' ' 50' ' ' GLN . 10.8 t0 -72.42 -24.92 61.3 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 120.937 -1.102 . . . . 0.0 108.88 179.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . 0.665 ' CD ' ' HE3' ' B' ' 79' ' ' MET . 0.2 OUTLIER -80.93 -56.79 3.88 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.39 -0.819 . . . . 0.0 109.899 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.592 HG23 ' N ' ' B' ' 57' ' ' MET . 33.6 m -66.0 -48.04 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.363 0 O-C-N 120.951 -1.093 . . . . 0.0 108.829 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.592 ' N ' HG23 ' B' ' 56' ' ' VAL . 0.2 OUTLIER -60.21 -23.05 63.71 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.403 -0.811 . . . . 0.0 108.88 179.289 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . 0.465 ' HB2' ' O ' ' B' ' 54' ' ' ASP . 1.8 mt-10 -68.22 -54.26 19.02 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.287 -0.883 . . . . 0.0 109.252 179.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.84 -29.84 70.44 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.461 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.691 HD22 ' HB2' ' B' ' 33' ' ' LYS . 9.0 mt -62.35 -51.51 67.32 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-O 121.584 0.707 . . . . 0.0 109.289 179.397 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.89 -4.48 52.51 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.527 -0.733 . . . . 0.0 109.538 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -71.33 -67.4 0.52 Allowed 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.259 -0.901 . . . . 0.0 109.653 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.475 ' HB2' ' HE2' ' B' ' 29' ' ' LYS . 0.2 OUTLIER -87.95 -48.12 8.03 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.415 -0.803 . . . . 0.0 109.666 -179.873 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.34 -52.65 4.52 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -123.08 78.61 1.58 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.255 -1.144 . . . . 0.0 109.519 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . 0.444 ' HA3' ' HD2' ' B' ' 29' ' ' LYS . . . -129.33 -161.28 10.51 Favored Glycine 0 N--CA 1.487 2.064 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.468 ' HA ' ' HA ' ' B' ' 28' ' ' LYS . 24.0 mt-10 -121.02 132.75 55.09 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.2 -1.176 . . . . 0.0 109.504 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 98.4 m -104.75 179.31 4.31 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.262 -0.899 . . . . 0.0 108.78 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -134.09 154.6 51.08 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.016 -1.052 . . . . 0.0 109.613 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 1.132 ' CE2' HG23 ' A' ' 82' ' ' THR . 0.1 OUTLIER -47.62 -26.15 1.39 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.382 -0.824 . . . . 0.0 110.447 -179.874 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 1.062 ' HG2' HG21 ' A' ' 82' ' ' THR . 0.8 OUTLIER -79.58 -52.44 8.0 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.083 -1.011 . . . . 0.0 109.457 179.636 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.571 ' OE2' ' CE1' ' B' ' 76' ' ' PHE . 0.2 OUTLIER -57.83 -56.99 14.89 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.286 -0.884 . . . . 0.0 109.766 -179.661 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.544 ' O ' HG23 ' B' ' 77' ' ' VAL . 0.2 OUTLIER -56.05 -18.09 8.68 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.106 -0.996 . . . . 0.0 108.933 179.798 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.698 ' HE3' ' HA ' ' B' ' 74' ' ' MET . 0.7 OUTLIER -79.43 -60.18 2.46 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.203 -0.935 . . . . 0.0 109.883 -179.808 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.486 ' O ' ' HG3' ' B' ' 79' ' ' MET . . . -65.92 -17.0 64.37 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.505 -0.747 . . . . 0.0 109.294 -179.499 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.656 ' O ' HG22 ' B' ' 80' ' ' VAL . 2.2 m-85 -81.38 -33.53 32.26 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.488 -0.758 . . . . 0.0 109.808 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.815 HG12 ' HE2' ' A' ' 7' ' ' MET . 53.2 t -75.24 -29.34 21.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.165 -0.959 . . . . 0.0 109.831 -179.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . 0.555 ' HA ' ' CE ' ' A' ' 7' ' ' MET . 2.4 p -78.64 -34.39 46.52 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.144 -0.973 . . . . 0.0 110.155 -179.614 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . 0.665 ' HE3' ' CD ' ' B' ' 55' ' ' LYS . 0.2 OUTLIER -65.44 -42.86 91.97 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.077 -1.014 . . . . 0.0 110.27 -179.525 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.739 HG21 HG21 ' B' ' 36' ' ' ILE . 6.3 m -80.89 -38.69 17.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.109 -0.994 . . . . 0.0 111.295 -178.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.759 HG21 ' HG3' ' A' ' 7' ' ' MET . 29.9 m -62.91 -11.65 19.94 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.852 -1.155 . . . . 0.0 109.751 -179.464 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 1.132 HG23 ' CE2' ' A' ' 70' ' ' PHE . 1.3 m -111.35 -26.85 8.91 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.223 -0.923 . . . . 0.0 109.324 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.494 ' CB ' HG23 ' B' ' 53' ' ' VAL . . . . . . . . 0 N--CA 1.49 1.533 0 O-C-N 121.176 -0.952 . . . . 0.0 110.779 -179.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . 0.443 ' OG ' ' HB3' ' A' ' 4' ' ' GLU . 78.1 p . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 121.321 0.582 . . . . 0.0 109.541 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.926 ' HB3' HG22 ' B' ' 13' ' ' VAL . 2.7 tp10 -79.81 -38.82 32.15 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.307 -0.871 . . . . 0.0 109.667 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.879 HD22 ' CD1' ' B' ' 35' ' ' LEU . 11.2 tp -79.54 -50.57 10.52 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.284 -0.885 . . . . 0.0 109.788 -179.65 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.872 ' HA ' HD23 ' B' ' 40' ' ' LEU . 6.0 tm-20 -54.56 -30.99 55.78 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.246 -0.909 . . . . 0.0 110.226 -179.347 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.582 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 3.2 mttt -81.0 -49.48 10.88 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.734 -1.229 . . . . 0.0 110.204 -179.471 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.619 ' HB2' ' HB3' ' B' ' 9' ' ' ALA . . . -71.8 -63.3 1.16 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.183 -0.948 . . . . 0.0 110.27 -179.185 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 1.005 ' HG3' HG21 ' B' ' 81' ' ' THR . 7.3 tpt -47.97 -53.75 15.06 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.283 -0.886 . . . . 0.0 109.943 -179.427 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.549 ' CG2' ' O ' ' A' ' 4' ' ' GLU . 18.2 t -64.78 -28.69 45.38 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.518 0 O-C-N 121.471 -0.768 . . . . 0.0 109.583 -179.421 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.633 ' HB3' ' HB2' ' B' ' 6' ' ' ALA . . . -66.43 -33.0 74.72 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.191 -0.943 . . . . 0.0 108.983 179.42 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 1.011 HD13 ' CE ' ' A' ' 74' ' ' MET . 0.4 OUTLIER -60.66 -50.37 73.79 Favored 'General case' 0 N--CA 1.486 1.375 0 O-C-N 121.245 -0.909 . . . . 0.0 108.614 179.446 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.649 HD11 HG22 ' B' ' 81' ' ' THR . 10.3 mt -49.97 -27.79 3.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 179.026 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -66.96 -48.09 69.62 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.641 -0.662 . . . . 0.0 109.358 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.945 HG22 ' HB3' ' B' ' 2' ' ' GLU . 47.9 t -47.13 -45.19 8.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.319 -0.863 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.407 ' CE1' ' HD1' ' A' ' 70' ' ' PHE . 1.2 t80 -55.33 -54.4 44.07 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.211 -0.931 . . . . 0.0 109.554 -179.758 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -59.61 -21.08 59.89 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.165 -0.959 . . . . 0.0 108.977 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -79.68 -30.01 40.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.51 -0.744 . . . . 0.0 109.402 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.545 ' CE2' HD21 ' A' ' 35' ' ' LEU . 73.5 m-85 -106.56 -80.23 0.56 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.288 -0.883 . . . . 0.0 109.675 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 17' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.622 0 O-C-N 121.252 -0.905 . . . . 0.0 109.698 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 . . . . . 0 N--CA 1.491 1.618 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.411 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 14.1 ptpt -150.59 151.53 32.72 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.14 -0.975 . . . . 0.0 109.623 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.75 -154.24 0.51 Allowed 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.239 -0.913 . . . . 0.0 109.202 179.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' A' ' 66' ' ' GLY . 3.9 mtmt -143.29 131.1 21.47 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.354 -0.841 . . . . 0.0 109.176 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.538 ' O ' ' CD2' ' A' ' 60' ' ' LEU . 0.6 OUTLIER -49.77 -27.27 4.71 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.182 -0.948 . . . . 0.0 109.472 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.401 ' OG ' ' O ' ' A' ' 64' ' ' GLY . 0.3 OUTLIER -68.1 -42.84 79.7 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.226 -0.921 . . . . 0.0 109.7 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.405 ' O ' ' HG3' ' A' ' 34' ' ' GLU . 30.8 tt0 -74.01 -23.08 59.38 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 179.517 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.833 HD13 ' HD2' ' A' ' 73' ' ' PHE . 8.2 tp -74.57 -34.46 62.9 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 178.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.91 ' HG3' HD13 ' A' ' 60' ' ' LEU . 54.9 tttt -60.51 -46.39 90.32 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 178.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.553 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 0.0 OUTLIER -71.74 -30.33 65.5 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.165 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.918 ' CD1' HD22 ' B' ' 3' ' ' LEU . 0.2 OUTLIER -56.83 -40.54 76.21 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 108.739 -0.838 . . . . 0.0 108.739 179.316 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.74 HD13 HG21 ' A' ' 80' ' ' VAL . 0.3 OUTLIER -81.75 -61.21 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.325 -0.859 . . . . 0.0 110.256 179.889 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -66.26 -3.22 5.39 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.449 -0.782 . . . . 0.0 111.522 -178.099 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.553 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 4.6 t30 -118.14 -75.68 0.58 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.698 -1.251 . . . . 0.0 109.622 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.532 ' HB3' ' HB3' ' B' ' 3' ' ' LEU . 6.5 mm-40 -47.95 -59.67 3.18 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.979 -1.075 . . . . 0.0 108.861 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.959 HD11 ' HG2' ' B' ' 7' ' ' MET . 10.0 mt -70.07 -98.94 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.2 -0.938 . . . . 0.0 108.604 179.287 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.4 t 68.11 2.34 3.16 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.986 -1.071 . . . . 0.0 110.552 179.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.503 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 2.6 t-80 -62.26 -18.13 60.36 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.858 -1.151 . . . . 0.0 108.733 179.751 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.532 ' O ' ' CB ' ' A' ' 44' ' ' LEU . 1.3 m-85 -128.18 -141.55 0.26 Allowed 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.532 ' CB ' ' O ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER 77.55 49.59 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.047 -1.033 . . . . 0.0 109.821 179.55 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.549 ' OE1' ' N ' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -106.98 -60.6 1.65 Allowed 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 178.685 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.485 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 2.4 mt-10 -113.28 27.72 9.36 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 106.736 -1.579 . . . . 0.0 106.736 177.376 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.485 ' HB ' ' O ' ' A' ' 46' ' ' GLU . 1.0 OUTLIER 66.69 143.65 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 -179.028 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.761 ' HB2' ' HB3' ' A' ' 83' ' ' ALA . 4.1 mttt -77.51 -74.16 0.27 Allowed 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.344 -0.848 . . . . 0.0 109.308 -179.207 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.93 ' HB2' ' HB1' ' A' ' 83' ' ' ALA . 0.0 OUTLIER -122.54 106.97 11.48 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.048 -1.032 . . . . 0.0 108.823 179.276 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.522 ' O ' ' HB2' ' A' ' 54' ' ' ASP . 4.3 tm0? -46.64 -32.72 3.69 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.04 -1.037 . . . . 0.0 109.075 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.473 ' HB2' ' OE2' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -82.25 -63.82 1.3 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.412 -0.805 . . . . 0.0 110.782 -179.689 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.457 HG23 ' HG3' ' A' ' 49' ' ' GLU . 5.6 t -53.83 -60.37 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 120.959 -1.088 . . . . 0.0 108.881 -179.542 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 49.8 t -54.45 -25.47 14.28 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.599 0 O-C-N 121.615 -0.678 . . . . 0.0 109.908 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.522 ' HB2' ' O ' ' A' ' 50' ' ' GLN . 1.6 m-20 -69.17 -38.88 78.93 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.93 -1.106 . . . . 0.0 109.894 -179.682 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.86 -49.01 61.94 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.17 -0.956 . . . . 0.0 111.277 -178.419 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.652 HG21 ' CG1' ' A' ' 80' ' ' VAL . 34.3 m -72.05 -45.82 61.74 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 O-C-N 120.763 -1.211 . . . . 0.0 109.257 -179.322 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.593 ' N ' HG23 ' A' ' 56' ' ' VAL . 39.7 tpp -65.06 -24.83 67.58 Favored 'General case' 0 C--N 1.295 -1.783 0 O-C-N 121.606 -0.684 . . . . 0.0 109.236 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.512 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 9.8 mt-10 -75.76 -55.81 5.28 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.072 -1.017 . . . . 0.0 109.275 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.02 -28.02 67.38 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.043 -1.036 . . . . 0.0 108.372 179.733 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.91 HD13 ' HG3' ' A' ' 33' ' ' LYS . 12.0 mt -66.7 -55.58 14.46 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 179.631 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.14 -0.62 36.75 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.492 -0.755 . . . . 0.0 109.59 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.491 ' HB2' ' O ' ' A' ' 58' ' ' GLU . 5.5 tt0 -77.43 -39.84 45.49 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.133 -0.979 . . . . 0.0 109.69 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.38 -47.19 0.51 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.199 -0.938 . . . . 0.0 109.777 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.401 ' O ' ' OG ' ' A' ' 30' ' ' SER . . . 58.84 14.18 22.03 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.695 -1.362 . . . . 0.0 109.695 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -134.31 10.3 3.79 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.063 -1.257 . . . . 0.0 109.422 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.474 ' O ' ' HG2' ' A' ' 28' ' ' LYS . . . -89.74 157.46 26.42 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.756 -1.337 . . . . 0.0 109.756 -179.702 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -89.9 134.39 34.23 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.319 -1.107 . . . . 0.0 109.484 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.8 178.92 4.27 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.223 -0.923 . . . . 0.0 109.395 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -118.15 176.68 5.11 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.251 -0.906 . . . . 0.0 109.233 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.474 ' O ' ' HB2' ' A' ' 74' ' ' MET . 6.7 t80 -70.68 -40.69 72.78 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.135 -0.978 . . . . 0.0 109.204 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.534 HE21 HG23 ' B' ' 82' ' ' THR . 0.1 OUTLIER -71.59 -27.5 63.18 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.376 -0.828 . . . . 0.0 109.712 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.65 -61.24 1.94 Allowed 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.117 -0.989 . . . . 0.0 108.803 179.695 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.833 ' HD2' HD13 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -53.19 -25.0 12.25 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.387 -0.821 . . . . 0.0 109.158 179.467 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 1.011 ' CE ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -76.46 -57.02 4.1 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.967 -1.083 . . . . 0.0 109.566 -179.77 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.488 ' O ' ' HG2' ' A' ' 79' ' ' MET . . . -63.97 -13.02 42.93 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.391 -0.818 . . . . 0.0 108.971 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.619 ' HB3' HD21 ' A' ' 32' ' ' LEU . 0.9 OUTLIER -81.37 -48.86 11.39 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.428 -0.795 . . . . 0.0 109.612 179.549 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.782 HG12 ' SD ' ' B' ' 7' ' ' MET . 78.7 t -64.93 -26.89 41.13 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.343 -0.848 . . . . 0.0 109.994 -179.567 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 1.002 ' O ' HG22 ' A' ' 82' ' ' THR . 1.4 m -73.36 -54.45 8.3 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.18 -0.95 . . . . 0.0 110.447 -179.318 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.537 ' SD ' ' CG1' ' A' ' 56' ' ' VAL . 7.8 ptp -52.04 -40.38 61.0 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.151 -0.968 . . . . 0.0 110.737 -178.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.74 HG21 HD13 ' A' ' 36' ' ' ILE . 3.3 m -73.56 -40.61 55.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 120.68 -1.262 . . . . 0.0 110.005 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.966 HG21 ' HG3' ' B' ' 7' ' ' MET . 11.0 m -67.24 -16.35 64.24 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.989 -1.069 . . . . 0.0 109.247 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 1.002 HG22 ' O ' ' A' ' 78' ' ' SER . 2.2 t -132.07 26.53 4.57 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.305 -0.872 . . . . 0.0 109.134 179.716 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.93 ' HB1' ' HB2' ' A' ' 49' ' ' GLU . . . . . . . . 0 N--CA 1.488 1.459 0 O-C-N 121.399 -0.813 . . . . 0.0 109.282 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . 0.444 ' OG ' ' HB3' ' B' ' 4' ' ' GLU . 78.0 p . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 121.23 0.538 . . . . 0.0 109.602 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.945 ' HB3' HG22 ' A' ' 13' ' ' VAL . 2.6 tp10 -79.84 -38.8 32.04 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.319 -0.863 . . . . 0.0 109.668 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.918 HD22 ' CD1' ' A' ' 35' ' ' LEU . 11.1 tp -79.53 -50.65 10.41 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.345 -0.847 . . . . 0.0 109.754 -179.702 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.837 ' HA ' HD23 ' A' ' 40' ' ' LEU . 6.0 tm-20 -54.48 -30.97 54.84 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.19 -0.944 . . . . 0.0 110.188 -179.325 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.582 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 3.2 mttt -81.0 -49.54 10.8 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.762 -1.212 . . . . 0.0 110.26 -179.53 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.633 ' HB2' ' HB3' ' A' ' 9' ' ' ALA . . . -71.72 -63.26 1.16 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.135 -0.978 . . . . 0.0 110.342 -179.235 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . 0.966 ' HG3' HG21 ' A' ' 81' ' ' THR . 7.3 tpt -48.13 -53.76 15.58 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.378 -0.826 . . . . 0.0 109.88 -179.427 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.543 ' CG2' ' O ' ' B' ' 4' ' ' GLU . 18.1 t -64.68 -28.74 45.53 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.567 0 O-C-N 121.322 -0.861 . . . . 0.0 109.563 -179.405 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.619 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . . . -66.45 -33.07 74.88 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.137 -0.977 . . . . 0.0 108.927 179.445 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 1.006 HD13 ' HE1' ' B' ' 74' ' ' MET . 0.4 OUTLIER -60.69 -50.22 74.36 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 179.502 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.668 HD11 HG22 ' A' ' 81' ' ' THR . 10.3 mt -50.15 -27.76 4.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.055 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -66.94 -48.08 69.69 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.658 -0.651 . . . . 0.0 109.362 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . 0.926 HG22 ' HB3' ' A' ' 2' ' ' GLU . 47.7 t -47.2 -45.17 8.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.397 -0.814 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.402 ' CE1' ' HD1' ' B' ' 70' ' ' PHE . 1.2 t80 -55.3 -54.46 43.25 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.203 -0.936 . . . . 0.0 109.499 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -59.48 -21.14 59.69 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.151 -0.968 . . . . 0.0 108.997 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -79.77 -29.88 40.56 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.476 -0.765 . . . . 0.0 109.436 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.538 ' CE2' HD21 ' B' ' 35' ' ' LEU . 73.2 m-85 -106.63 -80.23 0.56 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.313 -0.867 . . . . 0.0 109.584 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . 0.408 ' C ' ' O ' ' B' ' 17' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.596 0 O-C-N 121.376 -0.827 . . . . 0.0 109.684 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 121.122 0.487 . . . . 0.0 109.735 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.418 ' O ' ' HG3' ' B' ' 26' ' ' LYS . 14.1 ptpt -150.57 151.53 32.73 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.093 -1.004 . . . . 0.0 109.662 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.71 -154.24 0.51 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.33 -0.856 . . . . 0.0 109.262 179.598 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.47 ' HG2' ' O ' ' B' ' 66' ' ' GLY . 3.9 mtmt -143.29 131.08 21.44 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.317 -0.864 . . . . 0.0 109.132 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.531 ' O ' ' CD2' ' B' ' 60' ' ' LEU . 0.6 OUTLIER -49.71 -27.19 4.47 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.157 -0.964 . . . . 0.0 109.499 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.459 ' OG ' ' O ' ' B' ' 64' ' ' GLY . 0.3 OUTLIER -68.31 -42.74 78.98 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.2 -0.937 . . . . 0.0 109.588 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.417 ' O ' ' HG3' ' B' ' 34' ' ' GLU . 30.8 tt0 -74.09 -23.12 59.29 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 179.532 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.833 HD13 ' HD2' ' B' ' 73' ' ' PHE . 8.2 tp -74.57 -34.44 62.9 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 178.723 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.895 ' HG3' HD13 ' B' ' 60' ' ' LEU . 54.8 tttt -60.57 -46.35 90.53 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 178.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.556 ' O ' ' CB ' ' B' ' 38' ' ' ASN . 0.0 OUTLIER -71.79 -30.31 65.4 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.181 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.879 ' CD1' HD22 ' A' ' 3' ' ' LEU . 0.2 OUTLIER -56.8 -40.62 76.28 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 179.27 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.741 HD13 HG21 ' B' ' 80' ' ' VAL . 0.4 OUTLIER -81.72 -61.22 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.314 -0.867 . . . . 0.0 110.372 179.877 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -66.14 -3.33 5.38 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.472 -0.767 . . . . 0.0 111.516 -178.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.556 ' CB ' ' O ' ' B' ' 34' ' ' GLU . 4.6 t30 -118.21 -75.66 0.58 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.713 -1.242 . . . . 0.0 109.623 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.505 ' HB3' ' HB3' ' A' ' 3' ' ' LEU . 6.5 mm-40 -47.91 -59.66 3.18 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.874 -1.141 . . . . 0.0 108.768 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.948 HD11 ' HG2' ' A' ' 7' ' ' MET . 10.0 mt -70.13 -99.02 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.194 -0.941 . . . . 0.0 108.621 179.336 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 2.4 t 68.05 2.43 3.17 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.077 -1.014 . . . . 0.0 110.534 179.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . 0.516 ' HB3' ' CE1' ' B' ' 43' ' ' PHE . 2.6 t-80 -62.23 -18.13 60.27 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.781 -1.199 . . . . 0.0 108.723 179.675 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . 0.527 ' O ' ' CB ' ' B' ' 44' ' ' LEU . 1.3 m-85 -128.2 -141.49 0.26 Allowed 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.527 ' CB ' ' O ' ' B' ' 43' ' ' PHE . 0.1 OUTLIER 77.39 49.66 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.047 -1.033 . . . . 0.0 109.937 179.589 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.538 ' N ' ' OE1' ' B' ' 45' ' ' GLU . 0.0 OUTLIER -107.03 -60.68 1.65 Allowed 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 106.961 -1.496 . . . . 0.0 106.961 178.716 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . 0.483 ' O ' ' HB ' ' B' ' 47' ' ' ILE . 2.3 mt-10 -113.14 27.62 9.46 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 177.399 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.483 ' HB ' ' O ' ' B' ' 46' ' ' GLU . 1.0 OUTLIER 66.75 143.69 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 -179.037 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.758 ' HB2' ' HB3' ' B' ' 83' ' ' ALA . 4.1 mttt -77.46 -74.16 0.27 Allowed 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.358 -0.839 . . . . 0.0 109.309 -179.159 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.9 ' HB2' ' HB1' ' B' ' 83' ' ' ALA . 0.0 OUTLIER -122.49 106.9 11.44 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.906 -1.121 . . . . 0.0 108.861 179.252 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . 0.526 ' O ' ' HB2' ' B' ' 54' ' ' ASP . 4.3 tm0? -46.64 -32.78 3.73 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 120.953 -1.092 . . . . 0.0 109.019 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.48 ' HB2' ' OE2' ' B' ' 49' ' ' GLU . 0.1 OUTLIER -82.13 -63.86 1.3 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.353 -0.842 . . . . 0.0 110.847 -179.72 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.452 HG23 ' HG3' ' B' ' 49' ' ' GLU . 5.7 t -53.93 -60.31 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 O-C-N 120.792 -1.192 . . . . 0.0 108.825 -179.526 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 49.7 t -54.46 -25.4 14.18 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.603 0 O-C-N 121.681 -0.637 . . . . 0.0 109.99 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . 0.526 ' HB2' ' O ' ' B' ' 50' ' ' GLN . 1.7 m-20 -69.21 -38.83 78.78 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.986 -1.071 . . . . 0.0 109.945 -179.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.88 -49.1 61.11 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.134 -0.979 . . . . 0.0 111.275 -178.517 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.647 HG21 ' CG1' ' B' ' 80' ' ' VAL . 34.2 m -71.82 -45.96 63.09 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.406 0 O-C-N 120.603 -1.311 . . . . 0.0 109.29 -179.372 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.608 ' N ' HG23 ' B' ' 56' ' ' VAL . 39.7 tpp -65.16 -24.72 67.47 Favored 'General case' 0 C--N 1.296 -1.759 0 O-C-N 121.52 -0.738 . . . . 0.0 109.292 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . 0.506 ' HB2' ' O ' ' B' ' 54' ' ' ASP . 9.8 mt-10 -75.66 -55.95 5.16 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.093 -1.004 . . . . 0.0 109.274 179.581 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.92 -28.14 67.35 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.121 -0.987 . . . . 0.0 108.383 179.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.895 HD13 ' HG3' ' B' ' 33' ' ' LYS . 12.0 mt -66.65 -55.69 14.08 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 179.697 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.0 -0.54 35.83 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.492 -0.755 . . . . 0.0 109.72 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.492 ' HB2' ' O ' ' B' ' 58' ' ' GLU . 5.5 tt0 -77.46 -39.89 45.06 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.106 -0.996 . . . . 0.0 109.64 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.32 -47.26 0.52 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.277 -0.89 . . . . 0.0 109.786 -179.751 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . 0.459 ' O ' ' OG ' ' B' ' 30' ' ' SER . . . 58.88 14.26 22.62 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.679 -1.369 . . . . 0.0 109.679 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -134.36 10.25 3.77 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.084 -1.245 . . . . 0.0 109.424 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . 0.47 ' O ' ' HG2' ' B' ' 28' ' ' LYS . . . -89.64 157.41 26.48 Favored Glycine 0 N--CA 1.489 2.224 0 N-CA-C 109.801 -1.32 . . . . 0.0 109.801 -179.697 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -89.92 134.41 34.23 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.292 -1.122 . . . . 0.0 109.426 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.83 178.93 4.27 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.277 -0.889 . . . . 0.0 109.406 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.407 ' H ' ' HB2' ' B' ' 72' ' ' GLU . 3.4 m-20 -118.2 176.6 5.15 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.273 -0.892 . . . . 0.0 109.305 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.48 ' O ' ' HB2' ' B' ' 74' ' ' MET . 6.8 t80 -70.51 -40.69 73.36 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.293 -0.88 . . . . 0.0 109.221 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.546 HE21 HG23 ' A' ' 82' ' ' THR . 0.1 OUTLIER -71.65 -27.5 63.11 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.272 -0.893 . . . . 0.0 109.728 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.407 ' HB2' ' H ' ' B' ' 69' ' ' ASP . 0.4 OUTLIER -74.67 -61.3 1.92 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.171 -0.956 . . . . 0.0 108.716 179.704 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.833 ' HD2' HD13 ' B' ' 32' ' ' LEU . 0.0 OUTLIER -53.18 -25.02 12.21 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.403 -0.811 . . . . 0.0 109.126 179.531 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 1.006 ' HE1' HD13 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -76.38 -57.07 4.08 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.938 -1.101 . . . . 0.0 109.586 -179.819 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.489 ' O ' ' HG2' ' B' ' 79' ' ' MET . . . -64.0 -13.03 43.44 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.284 -0.885 . . . . 0.0 108.949 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.634 ' HB3' HD21 ' B' ' 32' ' ' LEU . 0.9 OUTLIER -81.42 -48.84 11.38 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.397 -0.814 . . . . 0.0 109.571 179.553 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.772 HG12 ' SD ' ' A' ' 7' ' ' MET . 79.2 t -64.8 -26.96 41.37 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.345 -0.847 . . . . 0.0 109.991 -179.612 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . 1.018 ' O ' HG22 ' B' ' 82' ' ' THR . 1.4 m -73.35 -54.58 7.99 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.108 -0.995 . . . . 0.0 110.34 -179.276 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . 0.536 ' SD ' ' CG1' ' B' ' 56' ' ' VAL . 7.8 ptp -52.07 -40.35 61.07 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.042 -1.036 . . . . 0.0 110.66 -178.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.741 HG21 HD13 ' B' ' 36' ' ' ILE . 3.3 m -73.63 -40.48 54.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 120.609 -1.307 . . . . 0.0 109.981 -179.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 1.005 HG21 ' HG3' ' A' ' 7' ' ' MET . 11.2 m -67.25 -16.28 64.19 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.947 -1.096 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 1.018 HG22 ' O ' ' B' ' 78' ' ' SER . 2.2 t -132.02 26.34 4.59 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.272 -0.892 . . . . 0.0 109.133 179.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.9 ' HB1' ' HB2' ' B' ' 49' ' ' GLU . . . . . . . . 0 N--CA 1.488 1.465 0 O-C-N 121.323 -0.861 . . . . 0.0 109.344 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . 0.539 ' CB ' ' HG2' ' B' ' 39' ' ' GLU . 1.3 p . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.25 0.548 . . . . 0.0 109.593 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.971 ' HB3' HG22 ' B' ' 13' ' ' VAL . 0.3 OUTLIER -80.13 -30.77 39.07 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.179 -0.951 . . . . 0.0 110.312 -179.404 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 1.012 HD22 HD12 ' B' ' 35' ' ' LEU . 15.9 tp -80.35 -53.23 6.81 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.126 -0.984 . . . . 0.0 110.301 -179.199 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.563 ' O ' HG23 ' A' ' 8' ' ' VAL . 2.0 tt0 -53.82 -51.36 63.8 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 120.987 -1.07 . . . . 0.0 109.991 -179.019 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.656 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 5.6 mmpt? -64.27 -34.34 77.89 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.987 -1.07 . . . . 0.0 110.446 -179.254 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.605 ' CB ' ' HB3' ' B' ' 9' ' ' ALA . . . -80.02 -72.75 0.39 Allowed 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.028 -1.045 . . . . 0.0 110.21 -179.263 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 1.024 ' HE2' HG12 ' B' ' 77' ' ' VAL . 12.3 tpp -43.61 -49.59 7.58 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.411 -0.805 . . . . 0.0 109.868 -179.551 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 4' ' ' GLU . 13.5 t -67.05 -34.58 70.71 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.641 0 O-C-N 121.449 -0.782 . . . . 0.0 109.911 -179.051 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.656 ' HB2' ' O ' ' A' ' 5' ' ' LYS . . . -57.86 -41.07 81.67 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.013 -1.054 . . . . 0.0 108.871 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.505 ' CD1' ' HA ' ' B' ' 7' ' ' MET . 0.1 OUTLIER -56.74 -53.27 59.68 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.279 -0.888 . . . . 0.0 108.779 179.317 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.662 HD12 ' H ' ' A' ' 11' ' ' ILE . 2.6 mp -50.01 -28.94 4.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.339 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -63.7 -49.66 72.23 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.506 -0.746 . . . . 0.0 109.054 179.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.946 HG22 ' HB3' ' B' ' 2' ' ' GLU . 71.3 t -49.87 -37.47 12.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.368 -0.832 . . . . 0.0 109.102 179.747 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.466 ' CD1' ' HB3' ' A' ' 18' ' ' SER . 2.4 t80 -60.39 -41.64 94.26 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.386 -0.822 . . . . 0.0 109.707 -179.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -70.05 -19.07 63.31 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.128 -0.982 . . . . 0.0 109.411 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -79.19 -54.38 6.04 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.344 -0.847 . . . . 0.0 109.609 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.558 ' CD1' HD21 ' A' ' 35' ' ' LEU . 57.7 m-85 -79.52 -54.96 5.39 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.256 -0.902 . . . . 0.0 109.419 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.466 ' HB3' ' CD1' ' A' ' 14' ' ' PHE . 0.8 OUTLIER . . . . . 0 N--CA 1.489 1.523 0 O-C-N 121.362 -0.836 . . . . 0.0 109.439 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.546 ' O ' ' CG ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.315 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt -132.16 131.91 42.69 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.246 -0.909 . . . . 0.0 109.217 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.705 HD13 ' CD1' ' A' ' 73' ' ' PHE . 0.4 OUTLIER -94.98 -155.7 0.48 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.199 -0.938 . . . . 0.0 109.484 -179.882 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.409 ' HG2' ' O ' ' A' ' 66' ' ' GLY . 11.2 mtpt -149.64 164.09 36.13 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.292 -0.88 . . . . 0.0 109.208 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.518 ' O ' ' CD2' ' A' ' 60' ' ' LEU . 6.6 mtpp -75.66 -26.5 57.72 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.109 -0.995 . . . . 0.0 109.393 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.475 ' HB2' ' O ' ' A' ' 64' ' ' GLY . 44.6 t -80.04 -35.46 37.17 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.281 -0.887 . . . . 0.0 109.332 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.504 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 7.2 tt0 -85.48 -19.02 31.87 Favored 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.061 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.92 HD13 ' CD1' ' A' ' 73' ' ' PHE . 13.3 tp -80.38 -38.92 29.42 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 178.295 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.65 ' HB2' HD22 ' A' ' 60' ' ' LEU . 1.7 tttt -59.44 -38.25 80.21 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 179.017 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.524 ' HG3' ' N ' ' A' ' 35' ' ' LEU . 9.8 pt-20 -77.91 -40.5 39.55 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 179.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.99 HD12 HD22 ' B' ' 3' ' ' LEU . 0.1 OUTLIER -50.67 -45.78 58.28 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-O 121.299 0.571 . . . . 0.0 109.487 179.696 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.829 ' CG2' HD22 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -80.65 -53.14 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.233 -0.917 . . . . 0.0 110.161 -179.767 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -65.75 -2.05 3.35 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.384 -0.822 . . . . 0.0 111.29 -178.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.447 ' HB2' ' O ' ' A' ' 34' ' ' GLU . 32.3 t30 -109.0 -56.79 2.23 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.749 -1.22 . . . . 0.0 109.924 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.551 ' CB ' ' HB3' ' B' ' 3' ' ' LEU . 1.8 mt-10 -105.06 27.29 8.33 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.279 -0.888 . . . . 0.0 110.012 -179.683 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.829 HD22 ' CG2' ' A' ' 36' ' ' ILE . 0.4 OUTLIER -148.11 -30.97 0.29 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.142 -0.974 . . . . 0.0 110.379 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.19 -10.05 2.57 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.014 -1.054 . . . . 0.0 110.382 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 8.9 t-80 -60.1 -22.7 63.09 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.833 -1.167 . . . . 0.0 109.228 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.494 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 92.7 m-85 -95.73 -13.96 23.75 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.281 -0.887 . . . . 0.0 109.68 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -64.67 131.46 46.99 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.184 -0.948 . . . . 0.0 109.515 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' A' ' 43' ' ' PHE . 0.4 OUTLIER -179.68 -36.05 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.258 -0.901 . . . . 0.0 109.59 179.921 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.445 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 0.9 OUTLIER -121.1 -46.09 2.33 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.239 -0.913 . . . . 0.0 109.758 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.445 ' HB ' ' O ' ' A' ' 46' ' ' GLU . 8.7 mt 68.4 124.28 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.185 -0.947 . . . . 0.0 109.817 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -108.7 -41.12 4.87 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.304 -0.873 . . . . 0.0 109.177 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.494 ' HB3' ' HB ' ' A' ' 52' ' ' VAL . 2.2 mm-40 -99.86 87.49 3.53 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.339 -0.85 . . . . 0.0 109.149 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.534 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 5.8 tp60 -59.97 -24.02 64.07 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.259 -0.9 . . . . 0.0 109.791 -179.626 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.442 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 25.5 mt-10 -80.22 -35.29 36.39 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.107 -0.996 . . . . 0.0 109.954 -179.782 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.639 HG11 ' O ' ' A' ' 79' ' ' MET . 69.8 t -68.39 -53.61 27.23 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.164 -0.96 . . . . 0.0 109.521 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 48.5 t -69.7 -30.71 45.87 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.249 -0.907 . . . . 0.0 109.564 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.534 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 16.2 t0 -76.74 -22.04 54.39 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.198 -0.939 . . . . 0.0 108.964 179.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.442 ' HB2' ' O ' ' A' ' 51' ' ' GLU . 5.2 mtpt -80.75 -49.97 10.47 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.242 -0.911 . . . . 0.0 109.618 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.708 HG21 ' CG1' ' A' ' 80' ' ' VAL . 33.7 m -69.62 -46.46 75.24 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.307 0 O-C-N 121.064 -1.022 . . . . 0.0 108.942 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.579 ' N ' HG23 ' A' ' 56' ' ' VAL . 23.3 tpp -63.3 -24.13 67.73 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.19 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.522 ' CG ' ' O ' ' A' ' 54' ' ' ASP . 7.9 mt-10 -74.38 -57.24 4.07 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.423 -0.798 . . . . 0.0 109.299 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.458 ' O ' ' HE2' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -60.79 -24.01 65.47 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 179.512 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.65 HD22 ' HB2' ' A' ' 33' ' ' LYS . 11.3 mt -70.29 -53.62 16.08 Favored 'General case' 0 C--N 1.302 -1.468 0 CA-C-O 121.427 0.632 . . . . 0.0 109.555 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -75.61 -10.3 59.32 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.504 -0.747 . . . . 0.0 109.87 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.04 -52.85 12.8 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.12 -0.987 . . . . 0.0 109.852 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.502 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 3.4 t70 -139.61 54.58 1.68 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.304 -0.873 . . . . 0.0 109.562 -179.676 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.475 ' O ' ' HB2' ' A' ' 30' ' ' SER . . . -40.34 -28.06 0.17 Allowed Glycine 0 N--CA 1.493 2.444 0 N-CA-C 110.017 -1.233 . . . . 0.0 110.017 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 63' ' ' ASP . 20.6 t70 -89.56 39.88 0.97 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.135 -1.215 . . . . 0.0 109.454 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.409 ' O ' ' HG2' ' A' ' 28' ' ' LYS . . . -109.37 -171.04 20.56 Favored Glycine 0 N--CA 1.488 2.109 0 N-CA-C 109.741 -1.344 . . . . 0.0 109.741 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 67' ' ' GLU . 7.6 pt-20 -124.45 137.19 54.46 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.316 -1.108 . . . . 0.0 109.59 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 95.4 m -107.92 172.45 6.82 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.33 -0.856 . . . . 0.0 109.143 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -111.16 -175.41 2.7 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.188 -0.945 . . . . 0.0 109.505 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.505 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 9.1 p90 -77.03 -39.99 48.09 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.342 -0.849 . . . . 0.0 109.565 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.675 ' HA ' HG21 ' B' ' 82' ' ' THR . 0.0 OUTLIER -79.91 -26.5 40.15 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.127 -0.983 . . . . 0.0 109.515 -179.895 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.498 ' N ' ' HG3' ' A' ' 71' ' ' GLN . 1.6 mt-10 -76.66 -54.79 6.18 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.259 -0.901 . . . . 0.0 109.163 179.608 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.92 ' CD1' HD13 ' A' ' 32' ' ' LEU . 15.8 t80 -58.3 -17.87 22.93 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 179.234 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.632 ' CE ' ' HA ' ' A' ' 74' ' ' MET . 0.2 OUTLIER -79.95 -63.82 1.33 Allowed 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.507 -0.746 . . . . 0.0 109.337 179.62 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.478 ' O ' ' HG3' ' A' ' 79' ' ' MET . . . -62.28 -13.01 23.92 Favored 'General case' 0 C--N 1.295 -1.767 0 C-N-CA 119.431 -0.908 . . . . 0.0 109.409 -179.559 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.616 ' CD1' HG12 ' A' ' 56' ' ' VAL . 0.3 OUTLIER -79.17 -44.73 21.33 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.289 -0.882 . . . . 0.0 108.875 179.574 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.968 HG12 ' HE2' ' B' ' 7' ' ' MET . 74.5 t -70.2 -27.58 32.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.542 -0.724 . . . . 0.0 109.357 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.918 ' HA ' ' HE3' ' B' ' 7' ' ' MET . 45.3 m -78.74 -51.64 9.51 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.4 -0.813 . . . . 0.0 109.965 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.639 ' O ' HG11 ' A' ' 52' ' ' VAL . 1.1 mmm -46.05 -39.32 9.05 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.193 -0.942 . . . . 0.0 110.073 -179.705 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.708 ' CG1' HG21 ' A' ' 56' ' ' VAL . 35.5 m -76.86 -48.45 25.68 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.181 -0.95 . . . . 0.0 110.347 -179.251 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.714 HG21 ' HG3' ' B' ' 7' ' ' MET . 0.4 OUTLIER -64.28 -10.78 26.07 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.026 -1.046 . . . . 0.0 109.619 -179.75 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.65 HG21 ' HA ' ' B' ' 71' ' ' GLN . 0.9 OUTLIER -99.54 -37.14 9.29 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.206 -0.934 . . . . 0.0 109.0 179.709 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.407 ' HB2' HG11 ' A' ' 52' ' ' VAL . . . . . . . . 0 N--CA 1.49 1.567 0 O-C-N 121.439 -0.788 . . . . 0.0 109.394 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . 0.547 ' CB ' ' HG2' ' A' ' 39' ' ' GLU . 1.3 p . . . . . 0 N--CA 1.49 1.556 0 CA-C-O 121.175 0.512 . . . . 0.0 109.656 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.946 ' HB3' HG22 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -80.11 -30.83 39.16 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.141 -0.974 . . . . 0.0 110.407 -179.432 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.99 HD22 HD12 ' A' ' 35' ' ' LEU . 15.8 tp -80.33 -53.2 6.85 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.173 -0.955 . . . . 0.0 110.336 -179.268 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.577 ' O ' HG23 ' B' ' 8' ' ' VAL . 2.0 tt0 -53.85 -51.37 63.8 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 121.033 -1.042 . . . . 0.0 109.988 -179.038 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.659 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 5.6 mmpt? -64.2 -34.33 77.84 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.017 -1.052 . . . . 0.0 110.448 -179.249 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.588 ' CB ' ' HB3' ' A' ' 9' ' ' ALA . . . -80.12 -72.65 0.4 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.071 -1.018 . . . . 0.0 110.253 -179.217 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . 0.968 ' HE2' HG12 ' A' ' 77' ' ' VAL . 12.6 tpp -43.63 -49.54 7.64 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.428 -0.795 . . . . 0.0 109.927 -179.605 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.577 HG23 ' O ' ' B' ' 4' ' ' GLU . 13.5 t -67.08 -34.51 70.18 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 O-C-N 121.383 -0.823 . . . . 0.0 109.955 -179.064 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.659 ' HB2' ' O ' ' B' ' 5' ' ' LYS . . . -57.9 -41.01 81.69 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.097 -1.002 . . . . 0.0 108.905 179.499 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.526 ' CD1' ' HA ' ' A' ' 7' ' ' MET . 0.1 OUTLIER -56.8 -53.24 60.16 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.284 -0.885 . . . . 0.0 108.748 179.34 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.664 ' H ' HD12 ' B' ' 11' ' ' ILE . 2.6 mp -49.97 -29.02 4.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.154 -0.966 . . . . 0.0 108.409 179.284 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -63.63 -49.68 72.35 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.456 -0.778 . . . . 0.0 109.096 179.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . 0.971 HG22 ' HB3' ' A' ' 2' ' ' GLU . 71.0 t -49.71 -37.57 12.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.351 -0.843 . . . . 0.0 109.167 179.69 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.46 ' CD1' ' HB3' ' B' ' 18' ' ' SER . 2.4 t80 -60.49 -41.55 94.49 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.384 -0.823 . . . . 0.0 109.724 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -70.0 -19.05 63.35 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.175 -0.953 . . . . 0.0 109.462 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -79.2 -54.45 5.97 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.37 -0.831 . . . . 0.0 109.583 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.553 ' CD1' HD21 ' B' ' 35' ' ' LEU . 58.0 m-85 -79.43 -54.99 5.39 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.193 -0.942 . . . . 0.0 109.422 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . 0.46 ' HB3' ' CD1' ' B' ' 14' ' ' PHE . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.544 0 O-C-N 121.41 -0.806 . . . . 0.0 109.384 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . 0.545 ' O ' ' CG ' ' B' ' 25' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt -132.07 131.91 42.85 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.184 -0.948 . . . . 0.0 109.249 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.707 HD13 ' CD1' ' B' ' 73' ' ' PHE . 0.4 OUTLIER -95.05 -155.65 0.48 Allowed 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.086 -1.009 . . . . 0.0 109.481 -179.911 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 11.2 mtpt -149.7 164.05 36.26 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.298 -0.876 . . . . 0.0 109.218 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.52 ' O ' ' CD2' ' B' ' 60' ' ' LEU . 6.6 mtpp -75.66 -26.52 57.76 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.154 -0.966 . . . . 0.0 109.348 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.484 ' HB2' ' O ' ' B' ' 64' ' ' GLY . 44.5 t -80.0 -35.55 37.23 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.368 -0.832 . . . . 0.0 109.294 179.728 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.513 ' O ' ' HG2' ' B' ' 34' ' ' GLU . 7.3 tt0 -85.45 -19.08 31.83 Favored 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 179.144 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.918 HD13 ' CD1' ' B' ' 73' ' ' PHE . 13.3 tp -80.49 -38.84 29.09 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 178.337 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.646 ' HB2' HD22 ' B' ' 60' ' ' LEU . 1.7 tttt -59.43 -38.25 80.18 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 179.025 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.543 ' HG3' ' N ' ' B' ' 35' ' ' LEU . 9.9 pt-20 -77.97 -40.56 38.93 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 179.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 1.012 HD12 HD22 ' A' ' 3' ' ' LEU . 0.1 OUTLIER -50.66 -45.78 58.18 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.641 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.814 ' CG2' HD22 ' B' ' 40' ' ' LEU . 0.4 OUTLIER -80.68 -53.24 12.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.239 -0.913 . . . . 0.0 110.056 -179.757 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -65.62 -2.19 3.31 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.424 -0.797 . . . . 0.0 111.271 -178.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.439 ' HB2' ' O ' ' B' ' 34' ' ' GLU . 32.4 t30 -108.97 -56.85 2.22 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.796 -1.19 . . . . 0.0 109.887 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.539 ' HG2' ' CB ' ' A' ' 1' ' ' SER . 1.8 mt-10 -104.97 27.19 8.38 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.164 -0.96 . . . . 0.0 110.012 -179.617 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.814 HD22 ' CG2' ' B' ' 36' ' ' ILE . 0.4 OUTLIER -148.15 -30.93 0.29 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.15 -0.969 . . . . 0.0 110.385 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.12 -10.1 2.5 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.058 -1.026 . . . . 0.0 110.444 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -60.01 -22.72 62.96 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.894 -1.129 . . . . 0.0 109.367 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . 0.499 ' O ' ' HG2' ' B' ' 45' ' ' GLU . 92.5 m-85 -95.71 -13.83 23.89 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.235 -0.916 . . . . 0.0 109.733 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -64.67 131.52 47.14 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.238 -0.914 . . . . 0.0 109.523 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.499 ' HG2' ' O ' ' B' ' 43' ' ' PHE . 0.4 OUTLIER -179.71 -36.13 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.187 -0.946 . . . . 0.0 109.637 179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . 0.44 ' O ' ' HB ' ' B' ' 47' ' ' ILE . 0.9 OUTLIER -121.03 -46.09 2.34 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.217 -0.927 . . . . 0.0 109.764 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.44 ' HB ' ' O ' ' B' ' 46' ' ' GLU . 8.7 mt 68.37 124.2 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.18 -0.95 . . . . 0.0 109.848 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -108.65 -41.23 4.85 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.317 -0.864 . . . . 0.0 109.103 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.506 ' HB3' ' HB ' ' B' ' 52' ' ' VAL . 2.2 mm-40 -99.68 87.51 3.58 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.291 -0.88 . . . . 0.0 109.212 179.742 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . 0.526 ' O ' ' CB ' ' B' ' 54' ' ' ASP . 5.9 tp60 -59.93 -24.07 64.05 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.334 -0.854 . . . . 0.0 109.809 -179.673 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.44 ' O ' ' HB2' ' B' ' 55' ' ' LYS . 25.4 mt-10 -80.16 -35.38 36.6 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.188 -0.945 . . . . 0.0 109.882 -179.738 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.63 HG11 ' O ' ' B' ' 79' ' ' MET . 70.1 t -68.35 -53.56 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.126 -0.984 . . . . 0.0 109.508 -179.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 48.0 t -69.81 -30.73 45.7 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 121.277 -0.889 . . . . 0.0 109.47 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . 0.526 ' CB ' ' O ' ' B' ' 50' ' ' GLN . 16.3 t0 -76.68 -22.02 54.56 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.142 -0.974 . . . . 0.0 109.037 179.623 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . 0.44 ' HB2' ' O ' ' B' ' 51' ' ' GLU . 5.2 mtpt -80.75 -50.01 10.42 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.417 -0.802 . . . . 0.0 109.675 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.698 HG21 ' CG1' ' B' ' 80' ' ' VAL . 33.3 m -69.6 -46.47 75.34 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.357 0 O-C-N 121.117 -0.989 . . . . 0.0 108.882 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.584 ' N ' HG23 ' B' ' 56' ' ' VAL . 23.3 tpp -63.37 -24.08 67.69 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.779 -0.822 . . . . 0.0 108.779 179.211 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . 0.521 ' CG ' ' O ' ' B' ' 54' ' ' ASP . 7.8 mt-10 -74.32 -57.12 4.15 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.327 -0.858 . . . . 0.0 109.322 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . 0.459 ' O ' ' HE2' ' B' ' 29' ' ' LYS . 0.2 OUTLIER -60.94 -23.93 65.67 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.108 -0.995 . . . . 0.0 108.492 179.525 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.646 HD22 ' HB2' ' B' ' 33' ' ' LYS . 11.3 mt -70.18 -53.8 15.61 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-O 121.384 0.611 . . . . 0.0 109.527 179.708 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -75.45 -10.36 59.38 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.622 -0.674 . . . . 0.0 109.982 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.08 -52.79 12.95 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.243 -0.91 . . . . 0.0 109.849 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.491 ' O ' ' HD3' ' B' ' 29' ' ' LYS . 3.3 t70 -139.57 54.49 1.68 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.334 -0.854 . . . . 0.0 109.648 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . 0.484 ' O ' ' HB2' ' B' ' 30' ' ' SER . . . -40.32 -28.04 0.17 Allowed Glycine 0 N--CA 1.493 2.449 0 N-CA-C 110.066 -1.213 . . . . 0.0 110.066 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' B' ' 63' ' ' ASP . 20.7 t70 -89.54 39.9 0.97 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.166 -1.197 . . . . 0.0 109.417 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -109.38 -171.04 20.55 Favored Glycine 0 N--CA 1.487 2.073 0 N-CA-C 109.741 -1.343 . . . . 0.0 109.741 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' B' ' 67' ' ' GLU . 7.6 pt-20 -124.42 137.26 54.46 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.218 -1.166 . . . . 0.0 109.556 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 95.3 m -107.98 172.38 6.87 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.242 -0.911 . . . . 0.0 109.144 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -111.04 -175.32 2.68 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.219 -0.925 . . . . 0.0 109.61 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.513 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 9.0 p90 -77.15 -39.85 47.66 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.308 -0.87 . . . . 0.0 109.56 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.65 ' HA ' HG21 ' A' ' 82' ' ' THR . 0.0 OUTLIER -80.05 -26.44 39.72 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.2 -0.937 . . . . 0.0 109.52 -179.907 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.504 ' N ' ' HG3' ' B' ' 71' ' ' GLN . 1.6 mt-10 -76.69 -54.8 6.16 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.169 -0.957 . . . . 0.0 109.081 179.654 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.918 ' CD1' HD13 ' B' ' 32' ' ' LEU . 16.0 t80 -58.26 -17.96 23.13 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 179.184 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.627 ' CE ' ' HA ' ' B' ' 74' ' ' MET . 0.2 OUTLIER -79.79 -63.87 1.32 Allowed 'General case' 0 N--CA 1.486 1.366 0 O-C-N 121.42 -0.8 . . . . 0.0 109.304 179.61 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.483 ' O ' ' HG3' ' B' ' 79' ' ' MET . . . -62.48 -12.89 24.78 Favored 'General case' 0 C--N 1.296 -1.744 0 C-N-CA 119.444 -0.903 . . . . 0.0 109.37 -179.403 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.621 ' CD1' HG12 ' B' ' 56' ' ' VAL . 0.3 OUTLIER -79.15 -44.81 21.22 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.324 -0.86 . . . . 0.0 108.763 179.548 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 1.024 HG12 ' HE2' ' A' ' 7' ' ' MET . 75.0 t -70.12 -27.65 33.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.564 -0.71 . . . . 0.0 109.36 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . 0.907 ' HA ' ' HE3' ' A' ' 7' ' ' MET . 44.4 m -78.75 -51.53 9.66 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.305 -0.872 . . . . 0.0 109.987 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . 0.63 ' O ' HG11 ' B' ' 52' ' ' VAL . 1.1 mmm -46.2 -39.22 9.42 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.291 -0.881 . . . . 0.0 110.049 -179.724 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.698 ' CG1' HG21 ' B' ' 56' ' ' VAL . 35.4 m -76.82 -48.5 25.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 121.205 -0.934 . . . . 0.0 110.319 -179.326 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.673 HG21 ' HG3' ' A' ' 7' ' ' MET . 0.4 OUTLIER -64.3 -10.75 26.02 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.117 -0.99 . . . . 0.0 109.622 -179.666 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.675 HG21 ' HA ' ' A' ' 71' ' ' GLN . 0.9 OUTLIER -99.56 -37.21 9.26 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.145 -0.972 . . . . 0.0 109.006 179.684 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.414 ' HB2' HG11 ' B' ' 52' ' ' VAL . . . . . . . . 0 N--CA 1.49 1.547 0 O-C-N 121.272 -0.892 . . . . 0.0 109.426 179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . 0.503 ' OG ' ' HB3' ' A' ' 4' ' ' GLU . 36.5 p . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 121.283 0.563 . . . . 0.0 109.568 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.895 ' HB2' HG22 ' B' ' 13' ' ' VAL . 2.4 mm-40 -80.08 -44.14 20.55 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.272 -0.893 . . . . 0.0 109.912 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.748 HD11 HD21 ' B' ' 10' ' ' LEU . 6.3 tp -75.75 -47.53 25.56 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.357 -0.839 . . . . 0.0 110.537 -178.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.533 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 4.5 tt0 -64.19 -49.39 72.23 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.952 -1.092 . . . . 0.0 110.514 -179.031 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.665 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.3 OUTLIER -69.71 -36.37 75.85 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.001 -1.062 . . . . 0.0 110.339 -179.166 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.681 ' HB1' ' HB3' ' B' ' 9' ' ' ALA . . . -80.37 -67.62 0.75 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.014 -1.054 . . . . 0.0 110.154 -179.415 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.898 ' HE2' HG12 ' B' ' 77' ' ' VAL . 4.3 tpt -45.96 -53.48 9.93 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.308 -0.87 . . . . 0.0 109.501 -179.557 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.533 ' CG2' ' O ' ' A' ' 4' ' ' GLU . 21.4 t -62.12 -38.23 80.38 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.555 0 C-N-CA 119.64 -0.824 . . . . 0.0 109.158 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.681 ' HB3' ' HB1' ' B' ' 6' ' ' ALA . . . -53.13 -37.68 62.01 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 179.06 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.761 HD21 HD11 ' B' ' 3' ' ' LEU . 0.5 OUTLIER -55.25 -46.79 76.06 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 178.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.598 ' N ' HD12 ' A' ' 11' ' ' ILE . 1.7 mp -56.24 -33.05 36.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.026 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -60.11 -49.62 76.93 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.523 -0.735 . . . . 0.0 109.293 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.915 HG22 ' HB2' ' B' ' 2' ' ' GLU . 69.6 t -49.21 -49.28 17.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.191 -0.943 . . . . 0.0 109.059 179.719 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.551 ' CE1' ' CD2' ' A' ' 73' ' ' PHE . 0.6 OUTLIER -44.67 -59.76 2.33 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.471 -0.768 . . . . 0.0 109.65 -179.904 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 29.6 t-80 -54.55 -34.83 62.48 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.168 -0.958 . . . . 0.0 109.644 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.48 -36.85 83.79 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.309 -0.87 . . . . 0.0 109.783 -179.657 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.812 ' CD1' HD21 ' A' ' 35' ' ' LEU . 73.2 m-85 -102.34 15.7 28.41 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.251 -0.906 . . . . 0.0 109.533 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.614 0 O-C-N 121.161 -0.962 . . . . 0.0 109.465 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.145 0.497 . . . . 0.0 110.15 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.498 ' HE2' ' HB2' ' A' ' 67' ' ' GLU . 4.9 ptmm? -119.04 129.79 55.3 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.099 -1.001 . . . . 0.0 109.182 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.468 HD23 ' HB2' ' A' ' 32' ' ' LEU . 1.7 tp -94.16 -161.77 0.88 Allowed 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.336 -0.853 . . . . 0.0 109.478 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -139.94 177.5 7.92 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.252 -0.905 . . . . 0.0 109.217 179.777 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.454 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 10.0 mmtp -78.69 -32.39 47.0 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.194 -0.941 . . . . 0.0 109.077 179.727 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.1 t -81.03 -35.2 32.17 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.291 -0.881 . . . . 0.0 109.538 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.467 ' O ' ' HB2' ' A' ' 35' ' ' LEU . 9.3 tt0 -81.75 -25.81 35.05 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 179.694 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.501 ' O ' HG13 ' A' ' 36' ' ' ILE . 22.1 tp -79.82 -40.68 28.03 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 108.633 -0.876 . . . . 0.0 108.633 179.256 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.784 ' HG2' HD13 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -64.93 -37.13 86.63 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 179.413 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.559 ' HG3' ' N ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -78.01 -31.25 50.46 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.498 -0.926 . . . . 0.0 108.498 179.667 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.854 HD11 HG11 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -55.16 -44.62 75.33 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 178.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.525 HG22 ' HB3' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -81.33 -61.55 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 O-C-N 121.468 -0.77 . . . . 0.0 109.813 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -54.91 -11.14 0.57 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.243 -0.91 . . . . 0.0 111.563 -178.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.49 ' HB2' ' O ' ' A' ' 34' ' ' GLU . 0.3 OUTLIER -104.08 -58.24 1.91 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.466 -1.396 . . . . 0.0 110.45 -179.368 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.474 ' O ' ' HB3' ' B' ' 3' ' ' LEU . 52.9 mt-10 -111.45 31.58 6.02 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.908 -1.12 . . . . 0.0 110.354 -179.14 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.702 ' HB2' HD23 ' B' ' 3' ' ' LEU . 0.2 OUTLIER -153.02 -86.86 0.06 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.98 -1.075 . . . . 0.0 108.851 179.88 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.566 ' O ' ' CG ' ' A' ' 42' ' ' HIS . 2.8 m 63.29 7.01 2.65 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.783 -1.198 . . . . 0.0 110.543 179.155 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.566 ' CG ' ' O ' ' A' ' 41' ' ' SER . 31.4 p80 38.88 27.89 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.25 -0.906 . . . . 0.0 110.087 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.497 ' N ' ' O ' ' A' ' 41' ' ' SER . 36.2 m-85 60.23 105.74 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.082 -1.011 . . . . 0.0 109.449 -179.694 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.601 ' HG ' HD11 ' A' ' 47' ' ' ILE . 0.2 OUTLIER -91.11 126.11 36.1 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.322 -0.861 . . . . 0.0 109.605 -179.812 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.478 ' HG3' ' N ' ' A' ' 46' ' ' GLU . 8.5 pt-20 -163.86 -37.89 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.17 -0.956 . . . . 0.0 109.633 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.478 ' N ' ' HG3' ' A' ' 45' ' ' GLU . 0.1 OUTLIER -144.7 -54.1 0.32 Allowed 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.257 -0.902 . . . . 0.0 108.723 179.897 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.601 HD11 ' HG ' ' A' ' 44' ' ' LEU . 3.6 mt 63.2 100.53 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.39 -0.819 . . . . 0.0 109.664 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -89.7 -41.16 12.08 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.124 -0.985 . . . . 0.0 109.416 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.711 ' OE1' HG23 ' A' ' 52' ' ' VAL . 4.3 mm-40 -80.49 75.54 7.35 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.11 -0.994 . . . . 0.0 109.667 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.45 ' O ' ' HB2' ' A' ' 54' ' ' ASP . 37.3 tt0 -62.18 -23.46 66.62 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.244 -0.91 . . . . 0.0 109.519 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.33 -27.35 42.09 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.243 -0.91 . . . . 0.0 109.742 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.711 HG23 ' OE1' ' A' ' 49' ' ' GLU . 96.3 t -74.91 -45.64 42.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.171 -0.956 . . . . 0.0 109.605 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.524 HG23 ' CB ' ' A' ' 83' ' ' ALA . 57.3 t -78.69 -29.68 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.223 -0.923 . . . . 0.0 109.187 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.517 ' O ' ' CG ' ' A' ' 58' ' ' GLU . 5.5 m-20 -79.31 -22.6 44.35 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.21 -0.931 . . . . 0.0 108.828 179.32 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -80.56 -49.85 10.78 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.248 -0.908 . . . . 0.0 109.331 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.598 HG23 ' N ' ' A' ' 57' ' ' MET . 35.3 m -71.69 -46.16 63.28 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.307 0 O-C-N 121.093 -1.004 . . . . 0.0 108.615 179.431 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.598 ' N ' HG23 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -63.15 -23.14 67.3 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 179.118 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.517 ' CG ' ' O ' ' A' ' 54' ' ' ASP . 5.8 mt-10 -71.8 -52.62 16.62 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.216 -0.927 . . . . 0.0 109.342 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 33.1 m -62.74 -27.58 69.37 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.101 -0.999 . . . . 0.0 108.457 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.784 HD13 ' HG2' ' A' ' 33' ' ' LYS . 8.6 mt -67.35 -53.04 33.03 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-O 121.532 0.682 . . . . 0.0 109.786 179.666 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.31 -7.64 59.14 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.556 -0.715 . . . . 0.0 110.039 -179.653 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.432 ' HB2' ' O ' ' A' ' 58' ' ' GLU . 9.5 tp10 -80.37 -47.11 14.93 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.14 -0.975 . . . . 0.0 109.792 -179.646 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -87.06 -70.25 0.63 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.384 -0.822 . . . . 0.0 109.896 -179.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.36 -43.23 3.21 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.298 -1.521 . . . . 0.0 109.298 -179.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -118.76 36.03 4.58 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.254 -1.145 . . . . 0.0 109.293 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -100.88 168.15 20.16 Favored Glycine 0 N--CA 1.488 2.156 0 N-CA-C 109.662 -1.375 . . . . 0.0 109.662 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.498 ' HB2' ' HE2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -109.34 129.76 55.52 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.303 -1.116 . . . . 0.0 109.391 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.438 ' SG ' ' HD3' ' A' ' 29' ' ' LYS . 3.6 m -93.89 168.34 11.04 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.073 -1.017 . . . . 0.0 109.016 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -111.19 -161.14 0.74 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.142 -0.974 . . . . 0.0 109.277 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.47 ' O ' ' HB2' ' A' ' 74' ' ' MET . 0.1 OUTLIER -88.68 -43.67 11.15 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.18 -0.95 . . . . 0.0 108.978 179.92 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.486 ' HG2' ' HB ' ' B' ' 82' ' ' THR . 1.1 mt-30 -71.64 -22.8 61.64 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.293 -0.88 . . . . 0.0 109.639 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.501 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 0.5 OUTLIER -78.29 -53.71 7.01 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.221 -0.924 . . . . 0.0 109.675 -179.817 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.694 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.3 OUTLIER -63.88 -21.21 66.35 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.246 -0.909 . . . . 0.0 108.881 179.868 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.564 ' CE ' ' HA ' ' A' ' 74' ' ' MET . 0.7 OUTLIER -80.17 -53.01 7.08 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.068 -1.02 . . . . 0.0 109.513 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.539 ' O ' ' HG3' ' A' ' 79' ' ' MET . . . -70.89 -15.43 62.62 Favored 'General case' 0 C--N 1.299 -1.619 0 C-N-CA 119.521 -0.871 . . . . 0.0 109.117 -179.676 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.66 ' O ' HG22 ' A' ' 80' ' ' VAL . 1.0 OUTLIER -80.9 -40.31 24.87 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.496 -0.752 . . . . 0.0 109.515 179.598 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.905 HG12 ' HE2' ' B' ' 7' ' ' MET . 87.3 t -68.23 -26.19 33.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.254 -0.904 . . . . 0.0 109.701 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.442 ' O ' ' OG1' ' A' ' 82' ' ' THR . 49.7 m -80.67 -41.76 23.19 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.107 -0.996 . . . . 0.0 111.115 -179.199 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.539 ' HG3' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -59.9 -40.4 88.67 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.818 -1.176 . . . . 0.0 110.39 -178.941 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.66 HG22 ' O ' ' A' ' 76' ' ' PHE . 2.5 m -75.62 -43.01 41.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.143 -0.973 . . . . 0.0 111.14 -178.53 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.553 ' OG1' ' HE2' ' B' ' 7' ' ' MET . 1.6 m -61.83 -9.68 7.28 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.695 -1.253 . . . . 0.0 110.223 -179.494 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.503 ' HB ' ' HG2' ' B' ' 71' ' ' GLN . 0.3 OUTLIER -121.69 -0.0 9.75 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.998 -1.064 . . . . 0.0 109.937 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.524 ' CB ' HG23 ' A' ' 53' ' ' VAL . . . . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.146 -0.972 . . . . 0.0 110.024 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . 0.499 ' OG ' ' HB3' ' B' ' 4' ' ' GLU . 37.1 p . . . . . 0 N--CA 1.49 1.575 0 CA-C-O 121.252 0.549 . . . . 0.0 109.618 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.915 ' HB2' HG22 ' A' ' 13' ' ' VAL . 2.4 mm-40 -80.08 -44.26 20.35 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.318 -0.864 . . . . 0.0 109.866 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.761 HD11 HD21 ' A' ' 10' ' ' LEU . 6.3 tp -75.71 -47.41 26.23 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.359 -0.838 . . . . 0.0 110.595 -178.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.523 ' O ' ' CG2' ' B' ' 8' ' ' VAL . 4.5 tt0 -64.35 -49.35 72.02 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.927 -1.108 . . . . 0.0 110.457 -178.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.666 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 0.2 OUTLIER -69.69 -36.31 75.85 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.931 -1.105 . . . . 0.0 110.439 -179.192 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.681 ' HB1' ' HB3' ' A' ' 9' ' ' ALA . . . -80.4 -67.6 0.75 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.996 -1.065 . . . . 0.0 110.227 -179.518 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . 0.905 ' HE2' HG12 ' A' ' 77' ' ' VAL . 4.3 tpt -45.88 -53.49 9.71 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.268 -0.895 . . . . 0.0 109.525 -179.617 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.523 ' CG2' ' O ' ' B' ' 4' ' ' GLU . 21.5 t -62.13 -38.21 80.35 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.578 0 C-N-CA 119.618 -0.833 . . . . 0.0 109.146 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.681 ' HB3' ' HB1' ' A' ' 6' ' ' ALA . . . -53.18 -37.56 62.03 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.069 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.748 HD21 HD11 ' A' ' 3' ' ' LEU . 0.5 OUTLIER -55.36 -46.77 76.45 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 178.922 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.599 ' N ' HD12 ' B' ' 11' ' ' ILE . 1.7 mp -56.32 -32.97 36.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 179.118 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -60.06 -49.71 76.58 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.617 -0.677 . . . . 0.0 109.319 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . 0.895 HG22 ' HB2' ' A' ' 2' ' ' GLU . 69.1 t -49.22 -49.22 17.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.264 -0.897 . . . . 0.0 109.089 179.726 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.549 ' CE1' ' CD2' ' B' ' 73' ' ' PHE . 0.6 OUTLIER -44.76 -59.73 2.37 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.386 -0.821 . . . . 0.0 109.628 -179.925 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 29.5 t-80 -54.61 -34.84 62.69 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.154 -0.966 . . . . 0.0 109.567 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.39 -36.88 83.69 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.234 -0.916 . . . . 0.0 109.761 -179.656 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.832 ' CD1' HD21 ' B' ' 35' ' ' LEU . 72.0 m-85 -102.3 15.6 28.68 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.127 -0.983 . . . . 0.0 109.606 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.594 0 O-C-N 121.197 -0.94 . . . . 0.0 109.521 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 121.089 0.471 . . . . 0.0 110.034 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.497 ' HE2' ' HB2' ' B' ' 67' ' ' GLU . 4.9 ptmm? -119.07 129.76 55.26 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.049 -1.032 . . . . 0.0 109.222 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.482 HD23 ' HB2' ' B' ' 32' ' ' LEU . 1.7 tp -94.17 -161.87 0.89 Allowed 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.322 -0.861 . . . . 0.0 109.403 -179.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.467 ' O ' ' CB ' ' B' ' 32' ' ' LEU . 0.2 OUTLIER -139.93 177.5 7.92 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.267 -0.896 . . . . 0.0 109.176 179.815 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.453 ' O ' ' HB2' ' B' ' 33' ' ' LYS . 10.0 mmtp -78.67 -32.36 47.09 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.193 -0.942 . . . . 0.0 109.137 179.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.1 t -81.02 -35.2 32.2 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.301 -0.875 . . . . 0.0 109.607 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.469 ' O ' ' HB2' ' B' ' 35' ' ' LEU . 9.4 tt0 -81.73 -25.78 35.11 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 179.71 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.505 ' O ' HG13 ' B' ' 36' ' ' ILE . 22.3 tp -79.83 -40.52 28.31 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 179.226 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.77 ' HG2' HD13 ' B' ' 60' ' ' LEU . 0.0 OUTLIER -64.94 -37.18 86.78 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 179.329 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.553 ' HG3' ' N ' ' B' ' 35' ' ' LEU . 0.0 OUTLIER -78.09 -31.17 49.98 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 179.697 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.86 HD11 HG11 ' B' ' 13' ' ' VAL . 0.2 OUTLIER -55.11 -44.6 75.11 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 178.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.53 HG22 ' HB3' ' B' ' 40' ' ' LEU . 0.2 OUTLIER -81.32 -61.57 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.465 0 O-C-N 121.501 -0.749 . . . . 0.0 109.832 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -54.76 -11.24 0.56 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.255 -0.903 . . . . 0.0 111.63 -178.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.501 ' HB2' ' O ' ' B' ' 34' ' ' GLU . 0.3 OUTLIER -104.08 -58.21 1.91 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.448 -1.408 . . . . 0.0 110.593 -179.406 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.493 ' O ' ' HB3' ' A' ' 3' ' ' LEU . 52.8 mt-10 -111.44 31.6 6.0 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.943 -1.098 . . . . 0.0 110.385 -179.255 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.72 ' HB2' HD23 ' A' ' 3' ' ' LEU . 0.2 OUTLIER -153.0 -86.86 0.06 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.099 -1.0 . . . . 0.0 108.836 179.835 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.582 ' O ' ' CG ' ' B' ' 42' ' ' HIS . 2.8 m 63.22 6.98 2.58 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.81 -1.181 . . . . 0.0 110.539 179.251 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . 0.582 ' CG ' ' O ' ' B' ' 41' ' ' SER . 31.5 p80 38.96 27.86 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.405 -0.809 . . . . 0.0 110.035 179.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . 0.502 ' N ' ' O ' ' B' ' 41' ' ' SER . 36.4 m-85 60.41 105.67 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.183 -0.948 . . . . 0.0 109.386 -179.774 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.618 ' HG ' HD11 ' B' ' 47' ' ' ILE . 0.2 OUTLIER -91.08 126.16 36.08 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.301 -0.874 . . . . 0.0 109.553 -179.85 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.473 ' HG3' ' N ' ' B' ' 46' ' ' GLU . 8.5 pt-20 -163.89 -37.99 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.138 -0.976 . . . . 0.0 109.595 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . 0.473 ' N ' ' HG3' ' B' ' 45' ' ' GLU . 0.1 OUTLIER -144.7 -54.02 0.32 Allowed 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.227 -0.92 . . . . 0.0 108.699 179.9 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.618 HD11 ' HG ' ' B' ' 44' ' ' LEU . 3.6 mt 63.2 100.5 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.382 -0.824 . . . . 0.0 109.697 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 12.8 tttp -89.68 -41.12 12.11 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.2 -0.937 . . . . 0.0 109.503 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.7 ' OE1' HG23 ' B' ' 52' ' ' VAL . 4.3 mm-40 -80.48 75.57 7.33 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.22 -0.925 . . . . 0.0 109.615 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . 0.453 ' O ' ' HB2' ' B' ' 54' ' ' ASP . 37.3 tt0 -62.13 -23.53 66.62 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.241 -0.912 . . . . 0.0 109.503 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.41 -27.36 41.79 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.274 -0.891 . . . . 0.0 109.689 -179.673 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.7 HG23 ' OE1' ' B' ' 49' ' ' GLU . 96.8 t -74.91 -45.59 42.87 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.15 -0.969 . . . . 0.0 109.593 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.529 HG23 ' CB ' ' B' ' 83' ' ' ALA . 57.1 t -78.72 -29.64 14.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.249 -0.907 . . . . 0.0 109.173 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . 0.517 ' O ' ' CG ' ' B' ' 58' ' ' GLU . 5.4 m-20 -79.35 -22.6 44.22 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.221 -0.925 . . . . 0.0 108.863 179.293 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -80.47 -49.89 10.8 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.309 -0.87 . . . . 0.0 109.411 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.596 HG23 ' N ' ' B' ' 57' ' ' MET . 35.3 m -71.62 -46.28 63.3 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.281 0 O-C-N 121.063 -1.023 . . . . 0.0 108.58 179.449 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.596 ' N ' HG23 ' B' ' 56' ' ' VAL . 0.0 OUTLIER -63.0 -23.21 67.34 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 179.104 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . 0.517 ' CG ' ' O ' ' B' ' 54' ' ' ASP . 5.9 mt-10 -71.81 -52.57 16.87 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.26 -0.9 . . . . 0.0 109.42 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 33.6 m -62.86 -27.56 69.43 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.031 -1.043 . . . . 0.0 108.342 179.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.77 HD13 ' HG2' ' B' ' 33' ' ' LYS . 8.6 mt -67.4 -52.93 33.92 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-O 121.459 0.647 . . . . 0.0 109.697 179.699 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.43 -7.52 59.17 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.505 -0.747 . . . . 0.0 109.987 -179.57 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.436 ' HB2' ' O ' ' B' ' 58' ' ' GLU . 9.6 tp10 -80.59 -46.99 14.81 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.208 -0.933 . . . . 0.0 109.756 -179.557 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -87.12 -70.23 0.63 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.387 -0.821 . . . . 0.0 109.775 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.32 -43.28 3.22 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.272 -1.531 . . . . 0.0 109.272 -179.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -118.84 36.12 4.56 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.251 -1.146 . . . . 0.0 109.319 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -100.89 168.11 20.13 Favored Glycine 0 N--CA 1.488 2.131 0 N-CA-C 109.615 -1.394 . . . . 0.0 109.615 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.497 ' HB2' ' HE2' ' B' ' 26' ' ' LYS . 0.0 OUTLIER -109.32 129.79 55.51 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.271 -1.135 . . . . 0.0 109.386 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.442 ' SG ' ' HD3' ' B' ' 29' ' ' LYS . 3.6 m -93.89 168.36 11.03 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.119 -0.988 . . . . 0.0 109.029 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -111.26 -161.15 0.74 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.044 -1.035 . . . . 0.0 109.347 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.472 ' O ' ' HB2' ' B' ' 74' ' ' MET . 0.1 OUTLIER -88.7 -43.71 11.1 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.103 -0.998 . . . . 0.0 108.95 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.503 ' HG2' ' HB ' ' A' ' 82' ' ' THR . 1.1 mt-30 -71.57 -22.83 61.69 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.325 -0.859 . . . . 0.0 109.579 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.499 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 0.5 OUTLIER -78.35 -53.64 7.07 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.235 -0.916 . . . . 0.0 109.647 -179.67 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.698 ' O ' HG23 ' B' ' 77' ' ' VAL . 0.3 OUTLIER -63.84 -21.25 66.36 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.278 -0.888 . . . . 0.0 109.002 179.778 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.554 ' CE ' ' HA ' ' B' ' 74' ' ' MET . 0.7 OUTLIER -80.21 -52.84 7.27 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.089 -1.007 . . . . 0.0 109.522 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.533 ' O ' ' HG3' ' B' ' 79' ' ' MET . . . -70.98 -15.46 62.58 Favored 'General case' 0 C--N 1.299 -1.63 0 C-N-CA 119.51 -0.876 . . . . 0.0 109.08 -179.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.65 ' O ' HG22 ' B' ' 80' ' ' VAL . 1.0 OUTLIER -80.84 -40.35 25.04 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.456 -0.777 . . . . 0.0 109.42 179.573 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.898 HG12 ' HE2' ' A' ' 7' ' ' MET . 88.2 t -68.19 -26.36 33.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.255 -0.903 . . . . 0.0 109.701 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . 0.45 ' O ' ' OG1' ' B' ' 82' ' ' THR . 50.6 m -80.6 -41.68 23.54 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.1 -1.0 . . . . 0.0 111.069 -179.135 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . 0.533 ' HG3' ' O ' ' B' ' 75' ' ' ALA . 0.0 OUTLIER -59.94 -40.35 88.63 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.824 -1.173 . . . . 0.0 110.452 -178.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.65 HG22 ' O ' ' B' ' 76' ' ' PHE . 2.5 m -75.64 -43.06 41.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.134 -0.979 . . . . 0.0 111.119 -178.578 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.556 ' OG1' ' HE2' ' A' ' 7' ' ' MET . 1.6 m -61.74 -9.75 7.16 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.68 -1.263 . . . . 0.0 110.305 -179.503 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.486 ' HB ' ' HG2' ' A' ' 71' ' ' GLN . 0.4 OUTLIER -121.6 -0.03 9.8 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.954 -1.091 . . . . 0.0 110.005 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.529 ' CB ' HG23 ' B' ' 53' ' ' VAL . . . . . . . . 0 N--CA 1.489 1.512 0 O-C-N 121.148 -0.97 . . . . 0.0 110.053 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . 0.432 ' O ' ' HB2' ' A' ' 5' ' ' LYS . 20.3 p . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.733 ' HB3' HG22 ' B' ' 13' ' ' VAL . 8.3 tt0 -80.21 -38.92 30.16 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.329 -0.857 . . . . 0.0 110.024 -179.578 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 1.074 ' CD1' HD23 ' B' ' 10' ' ' LEU . 16.4 tp -78.39 -52.31 8.76 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.154 -0.966 . . . . 0.0 110.057 -179.459 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.534 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 3.5 tm-20 -55.92 -34.38 65.54 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.325 -0.86 . . . . 0.0 110.03 -179.064 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.432 ' HB2' ' O ' ' A' ' 1' ' ' SER . 11.1 tptt -80.4 -51.46 8.82 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.922 -1.112 . . . . 0.0 110.254 -179.57 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.661 ' HB1' ' HB3' ' B' ' 9' ' ' ALA . . . -73.45 -62.22 1.56 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.126 -0.984 . . . . 0.0 110.251 -179.364 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.721 ' CE ' HG12 ' B' ' 77' ' ' VAL . 13.9 tpt -45.5 -47.53 14.13 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.325 -0.859 . . . . 0.0 109.718 -179.466 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.534 ' CG2' ' O ' ' A' ' 4' ' ' GLU . 40.0 t -71.9 -30.44 37.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.371 -0.83 . . . . 0.0 109.996 -179.588 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.648 ' HB3' ' HB1' ' B' ' 6' ' ' ALA . . . -60.23 -54.59 43.94 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.058 -1.026 . . . . 0.0 109.53 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 1.096 HD13 ' N ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -52.26 -41.09 62.54 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.179 -0.951 . . . . 0.0 108.8 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 1.096 ' N ' HD13 ' A' ' 10' ' ' LEU . 0.5 OUTLIER -63.17 -35.69 72.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 120.953 -1.092 . . . . 0.0 108.328 179.697 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 13' ' ' VAL . 9.2 t0 -56.66 -44.24 81.15 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 178.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.699 HG22 ' HB3' ' B' ' 2' ' ' GLU . 14.0 t -47.41 -43.0 8.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 178.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.614 ' CE2' ' HB3' ' A' ' 70' ' ' PHE . 77.6 t80 -48.01 -49.68 30.18 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.346 -0.847 . . . . 0.0 108.839 179.402 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 32.7 t-80 -60.4 -36.04 77.17 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.399 -0.813 . . . . 0.0 109.408 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -54.73 -52.79 61.39 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.278 -0.889 . . . . 0.0 109.392 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.592 ' CD2' HD21 ' A' ' 35' ' ' LEU . 83.5 m-85 -87.87 0.05 56.33 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.303 -0.873 . . . . 0.0 109.487 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.0 t . . . . . 0 N--CA 1.489 1.511 0 O-C-N 121.213 -0.93 . . . . 0.0 109.324 179.975 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.87 128.33 14.98 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.139 -0.976 . . . . 0.0 109.735 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.598 HD22 ' HB3' ' A' ' 31' ' ' GLU . 1.6 mt -111.24 -157.57 0.62 Allowed 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 179.708 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' A' ' 66' ' ' GLY . 14.2 mtpt -141.07 173.78 11.16 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.945 -1.097 . . . . 0.0 109.641 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.445 ' HB2' ' O ' ' A' ' 63' ' ' ASP . 4.7 mmtt -74.43 -31.81 62.43 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.325 -0.859 . . . . 0.0 109.657 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.425 ' HB2' ' O ' ' A' ' 64' ' ' GLY . 46.9 t -73.43 -26.43 60.95 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.138 -0.976 . . . . 0.0 109.512 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.598 ' HB3' HD22 ' A' ' 27' ' ' LEU . 1.2 tt0 -87.36 -19.9 27.49 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.056 -1.027 . . . . 0.0 108.478 179.476 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.527 HD21 ' CD2' ' A' ' 76' ' ' PHE . 10.4 tp -80.91 -38.03 28.64 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 178.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.592 ' HB2' HD22 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -63.6 -36.81 85.03 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.262 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.551 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 9.5 pt-20 -78.58 -38.33 40.4 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 179.587 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 1.007 ' CD1' HD22 ' B' ' 3' ' ' LEU . 0.2 OUTLIER -48.02 -49.91 29.47 Favored 'General case' 0 C--N 1.295 -1.793 0 CA-C-O 121.489 0.661 . . . . 0.0 109.255 179.548 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.854 HG21 HG21 ' A' ' 80' ' ' VAL . 0.1 OUTLIER -82.33 -52.41 13.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.536 -0.727 . . . . 0.0 110.909 -179.259 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -72.96 3.93 4.79 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.312 -0.868 . . . . 0.0 111.494 -178.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.551 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 55.4 t30 -119.95 -73.92 0.63 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.761 -1.212 . . . . 0.0 110.175 -179.638 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.514 ' HB3' ' HB3' ' B' ' 3' ' ' LEU . 4.2 mp0 -63.77 -41.99 97.88 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.063 -1.023 . . . . 0.0 109.778 -179.507 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.487 ' O ' ' C ' ' A' ' 41' ' ' SER . 2.2 tt -75.24 -89.1 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.189 -0.945 . . . . 0.0 109.313 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.487 ' C ' ' O ' ' A' ' 40' ' ' LEU . 5.6 t 31.56 95.23 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.342 -0.849 . . . . 0.0 111.047 179.316 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -172.69 -56.4 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.878 -1.139 . . . . 0.0 109.854 179.641 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.412 ' O ' ' HG3' ' A' ' 45' ' ' GLU . 6.3 m-85 -82.96 -2.2 54.51 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.199 -0.938 . . . . 0.0 109.708 -179.742 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.04 99.79 2.36 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.158 -0.964 . . . . 0.0 109.567 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 43' ' ' PHE . 1.4 mt-10 -127.94 -62.7 1.05 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.273 -0.892 . . . . 0.0 109.138 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.453 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 9.7 pt-20 -117.74 -27.27 6.29 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.423 -0.798 . . . . 0.0 109.192 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.453 ' HB ' ' O ' ' A' ' 46' ' ' GLU . 3.1 mt 65.86 113.88 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.366 -0.834 . . . . 0.0 109.679 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.37 -42.37 10.96 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.174 -0.954 . . . . 0.0 109.189 179.693 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.712 ' OE1' HG23 ' A' ' 52' ' ' VAL . 13.6 mm-40 -88.08 62.67 6.92 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.291 -0.88 . . . . 0.0 109.352 179.628 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.46 ' O ' ' HB2' ' A' ' 54' ' ' ASP . 34.6 tt0 -49.27 -22.9 1.17 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.179 -0.951 . . . . 0.0 109.534 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -78.79 -41.67 29.81 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.249 -0.907 . . . . 0.0 109.701 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.712 HG23 ' OE1' ' A' ' 49' ' ' GLU . 77.0 t -61.82 -55.07 26.68 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.167 -0.958 . . . . 0.0 109.667 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.445 ' O ' ' HB2' ' A' ' 57' ' ' MET . 81.1 t -66.39 -27.67 41.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.333 -0.854 . . . . 0.0 109.644 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.5 ' O ' ' HG3' ' A' ' 58' ' ' GLU . 50.8 m-20 -75.7 -22.99 56.12 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.11 -0.993 . . . . 0.0 109.078 179.777 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.34 -51.59 9.22 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.302 -0.874 . . . . 0.0 109.762 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.812 HG21 ' CG1' ' A' ' 80' ' ' VAL . 12.0 m -70.5 -39.77 76.62 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.354 0 O-C-N 121.164 -0.96 . . . . 0.0 109.213 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.445 ' HB2' ' O ' ' A' ' 53' ' ' VAL . 26.2 tpp -68.6 -26.99 65.65 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.451 -0.781 . . . . 0.0 109.122 179.537 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.5 ' HG3' ' O ' ' A' ' 54' ' ' ASP . 0.7 OUTLIER -73.11 -50.21 24.11 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.164 -0.96 . . . . 0.0 109.117 179.69 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 25.1 m -65.52 -24.11 67.04 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 179.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.592 HD22 ' HB2' ' A' ' 33' ' ' LYS . 10.5 mt -70.2 -52.77 20.78 Favored 'General case' 0 N--CA 1.487 1.388 0 CA-C-O 121.432 0.634 . . . . 0.0 109.7 179.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.77 -15.22 60.29 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.434 -0.791 . . . . 0.0 110.078 -179.525 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -79.05 -35.21 42.91 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.003 -1.061 . . . . 0.0 109.717 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.445 ' O ' ' HB2' ' A' ' 29' ' ' LYS . 6.1 m-20 -139.59 47.91 1.85 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.232 -0.917 . . . . 0.0 109.7 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.425 ' O ' ' HB2' ' A' ' 30' ' ' SER . . . -47.98 -25.88 4.06 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.388 -1.485 . . . . 0.0 109.388 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -101.67 44.46 1.01 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.389 -1.066 . . . . 0.0 109.431 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.462 ' O ' ' HG2' ' A' ' 28' ' ' LYS . . . -114.09 -168.56 16.39 Favored Glycine 0 N--CA 1.487 2.057 0 N-CA-C 109.65 -1.38 . . . . 0.0 109.65 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -122.39 134.68 54.61 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.235 -1.156 . . . . 0.0 109.544 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -122.41 161.84 22.74 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.275 -0.89 . . . . 0.0 109.431 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -96.79 165.21 12.23 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.232 -0.917 . . . . 0.0 109.151 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.614 ' HB3' ' CE2' ' A' ' 14' ' ' PHE . 35.5 p90 -63.97 -46.71 83.44 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.02 -1.05 . . . . 0.0 109.08 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.581 ' N ' ' CG ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -65.71 -25.72 67.44 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.243 -0.91 . . . . 0.0 109.027 179.745 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.525 ' N ' ' HG3' ' A' ' 71' ' ' GLN . 0.7 OUTLIER -70.77 -68.63 0.42 Allowed 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 179.253 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.639 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -48.49 -28.5 3.37 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 178.811 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.969 ' SD ' HD11 ' A' ' 10' ' ' LEU . 49.3 mmm -64.87 -57.64 8.29 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.479 -0.763 . . . . 0.0 109.696 -179.672 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.505 ' O ' ' HG3' ' A' ' 79' ' ' MET . . . -61.73 -23.14 65.95 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.251 -0.906 . . . . 0.0 109.051 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.59 ' CZ ' HG12 ' A' ' 56' ' ' VAL . 1.1 m-85 -75.34 -32.44 60.9 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 179.551 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.708 HG12 ' CE ' ' B' ' 7' ' ' MET . 65.4 t -69.52 -26.16 30.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.545 -0.722 . . . . 0.0 109.191 179.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.466 ' O ' HG23 ' A' ' 82' ' ' THR . 24.4 p -78.77 -55.2 5.35 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.314 -0.866 . . . . 0.0 110.312 -179.582 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.659 ' HB3' HG13 ' A' ' 52' ' ' VAL . 1.1 mtt -49.01 -49.05 42.86 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.18 -0.95 . . . . 0.0 109.481 -179.395 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.854 HG21 HG21 ' A' ' 36' ' ' ILE . 33.3 m -68.98 -48.04 72.29 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 O-C-N 121.45 -0.781 . . . . 0.0 110.279 -179.174 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.799 HG21 HD11 ' B' ' 11' ' ' ILE . 26.0 m -68.15 -6.11 21.53 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.106 -0.996 . . . . 0.0 109.834 -179.729 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.466 HG23 ' O ' ' A' ' 78' ' ' SER . 81.3 p -119.31 -9.34 9.94 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.117 -0.989 . . . . 0.0 109.622 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.438 ' CB ' HG23 ' A' ' 53' ' ' VAL . . . . . . . . 0 N--CA 1.491 1.577 0 O-C-N 121.286 -0.884 . . . . 0.0 109.665 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . 0.424 ' O ' ' HB2' ' B' ' 5' ' ' LYS . 20.3 p . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.699 ' HB3' HG22 ' A' ' 13' ' ' VAL . 8.3 tt0 -80.18 -38.89 30.36 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.299 -0.875 . . . . 0.0 110.035 -179.582 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 1.047 ' CD1' HD23 ' A' ' 10' ' ' LEU . 16.4 tp -78.41 -52.4 8.62 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.159 -0.963 . . . . 0.0 109.986 -179.475 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.532 ' O ' ' CG2' ' B' ' 8' ' ' VAL . 3.6 tm-20 -55.84 -34.29 65.27 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 121.175 -0.953 . . . . 0.0 110.116 -179.059 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.424 ' HB2' ' O ' ' B' ' 1' ' ' SER . 11.1 tptt -80.6 -51.36 8.83 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.936 -1.103 . . . . 0.0 110.205 -179.519 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.648 ' HB1' ' HB3' ' A' ' 9' ' ' ALA . . . -73.46 -62.25 1.55 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.99 -1.069 . . . . 0.0 110.221 -179.438 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . 0.708 ' CE ' HG12 ' A' ' 77' ' ' VAL . 13.9 tpt -45.5 -47.41 14.16 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.458 -0.776 . . . . 0.0 109.772 -179.435 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.532 ' CG2' ' O ' ' B' ' 4' ' ' GLU . 40.2 t -71.95 -30.51 37.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.412 -0.805 . . . . 0.0 109.982 -179.549 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.661 ' HB3' ' HB1' ' A' ' 6' ' ' ALA . . . -60.26 -54.55 44.4 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.067 -1.021 . . . . 0.0 109.549 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 1.076 HD13 ' N ' ' B' ' 11' ' ' ILE . 0.0 OUTLIER -52.2 -41.29 62.56 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.244 -0.91 . . . . 0.0 108.688 179.946 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 1.076 ' N ' HD13 ' B' ' 10' ' ' LEU . 0.5 OUTLIER -63.05 -35.65 72.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.061 -1.024 . . . . 0.0 108.4 179.731 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -56.71 -44.31 81.45 Favored 'General case' 0 C--N 1.306 -1.322 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 178.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . 0.733 HG22 ' HB3' ' A' ' 2' ' ' GLU . 14.0 t -47.35 -43.07 8.02 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 178.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.616 ' CE2' ' HB3' ' B' ' 70' ' ' PHE . 77.6 t80 -47.94 -49.7 29.4 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.389 -0.819 . . . . 0.0 108.826 179.405 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 32.7 t-80 -60.46 -36.04 77.29 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.318 -0.864 . . . . 0.0 109.367 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -54.66 -52.77 61.29 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.167 -0.958 . . . . 0.0 109.402 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.591 ' CD2' HD21 ' B' ' 35' ' ' LEU . 83.6 m-85 -87.96 0.01 56.44 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.373 -0.829 . . . . 0.0 109.464 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 3.0 t . . . . . 0 N--CA 1.49 1.531 0 O-C-N 121.249 -0.907 . . . . 0.0 109.346 179.952 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.99 128.31 14.85 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.276 -0.89 . . . . 0.0 109.663 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.598 HD22 ' HB3' ' B' ' 31' ' ' GLU . 1.6 mt -111.23 -157.54 0.62 Allowed 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.339 -0.85 . . . . 0.0 108.913 179.743 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.456 ' HG2' ' O ' ' B' ' 66' ' ' GLY . 14.3 mtpt -141.15 173.72 11.22 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.988 -1.07 . . . . 0.0 109.588 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.442 ' HB2' ' O ' ' B' ' 63' ' ' ASP . 4.7 mmtt -74.34 -31.77 62.55 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.319 -0.863 . . . . 0.0 109.71 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.426 ' HB2' ' O ' ' B' ' 64' ' ' GLY . 47.1 t -73.5 -26.44 60.89 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.15 -0.969 . . . . 0.0 109.509 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.598 ' HB3' HD22 ' B' ' 27' ' ' LEU . 1.2 tt0 -87.3 -19.9 27.59 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.048 -1.032 . . . . 0.0 108.492 179.358 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.532 HD21 ' CD2' ' B' ' 76' ' ' PHE . 10.4 tp -80.96 -37.95 28.55 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 178.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.6 ' HB2' HD22 ' B' ' 60' ' ' LEU . 0.2 OUTLIER -63.67 -36.77 84.95 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 179.179 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.547 ' O ' ' CB ' ' B' ' 38' ' ' ASN . 9.5 pt-20 -78.59 -38.34 40.26 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 179.567 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 1.044 ' CD1' HD22 ' A' ' 3' ' ' LEU . 0.2 OUTLIER -48.13 -49.82 30.83 Favored 'General case' 0 C--N 1.293 -1.854 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.591 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.86 HG21 HG21 ' B' ' 80' ' ' VAL . 0.1 OUTLIER -82.36 -52.27 13.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.53 -0.731 . . . . 0.0 110.975 -179.35 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -73.03 3.83 4.98 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.252 -0.905 . . . . 0.0 111.53 -178.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.547 ' CB ' ' O ' ' B' ' 34' ' ' GLU . 55.2 t30 -119.89 -73.9 0.63 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.731 -1.231 . . . . 0.0 110.198 -179.589 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.543 ' HB3' ' HB3' ' A' ' 3' ' ' LEU . 4.2 mp0 -63.67 -42.13 98.09 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.083 -1.011 . . . . 0.0 109.81 -179.575 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.499 ' O ' ' C ' ' B' ' 41' ' ' SER . 2.3 tt -75.19 -89.04 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.105 -0.997 . . . . 0.0 109.357 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.499 ' C ' ' O ' ' B' ' 40' ' ' LEU . 5.6 t 31.49 95.24 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.34 -0.85 . . . . 0.0 111.015 179.24 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -172.64 -56.45 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.936 -1.103 . . . . 0.0 109.898 179.613 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . 0.415 ' O ' ' HG3' ' B' ' 45' ' ' GLU . 6.2 m-85 -82.93 -2.17 54.27 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.204 -0.935 . . . . 0.0 109.745 -179.762 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.11 99.78 2.39 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.115 -0.99 . . . . 0.0 109.553 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' B' ' 43' ' ' PHE . 1.4 mt-10 -127.92 -62.64 1.05 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.363 -0.836 . . . . 0.0 109.221 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . 0.45 ' O ' ' HB ' ' B' ' 47' ' ' ILE . 9.6 pt-20 -117.76 -27.26 6.29 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.504 -0.747 . . . . 0.0 109.279 179.749 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.45 ' HB ' ' O ' ' B' ' 46' ' ' GLU . 3.1 mt 65.86 113.82 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.331 -0.856 . . . . 0.0 109.696 179.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.27 -42.47 10.97 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.138 -0.976 . . . . 0.0 109.179 179.709 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.724 ' OE1' HG23 ' B' ' 52' ' ' VAL . 13.5 mm-40 -88.07 62.65 6.91 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.28 -0.887 . . . . 0.0 109.251 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . 0.457 ' O ' ' HB2' ' B' ' 54' ' ' ASP . 34.6 tt0 -49.18 -22.95 1.11 Allowed 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.285 -0.884 . . . . 0.0 109.575 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -78.75 -41.73 29.95 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.288 -0.882 . . . . 0.0 109.679 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.724 HG23 ' OE1' ' B' ' 49' ' ' GLU . 78.0 t -61.89 -54.98 27.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.133 -0.98 . . . . 0.0 109.66 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.462 ' O ' ' HB2' ' B' ' 57' ' ' MET . 80.9 t -66.55 -27.51 40.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.21 -0.931 . . . . 0.0 109.683 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . 0.49 ' O ' ' HG3' ' B' ' 58' ' ' GLU . 51.0 m-20 -75.76 -23.05 55.94 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.107 -0.996 . . . . 0.0 109.073 179.695 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.23 -51.73 9.09 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.209 -0.932 . . . . 0.0 109.733 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.824 HG21 ' CG1' ' B' ' 80' ' ' VAL . 12.0 m -70.39 -39.95 77.07 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 O-C-N 121.014 -1.054 . . . . 0.0 109.167 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.462 ' HB2' ' O ' ' B' ' 53' ' ' VAL . 26.2 tpp -68.5 -27.11 65.84 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.454 -0.779 . . . . 0.0 109.049 179.589 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . 0.49 ' HG3' ' O ' ' B' ' 54' ' ' ASP . 0.7 OUTLIER -73.03 -50.29 23.91 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.155 -0.966 . . . . 0.0 109.135 179.704 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 24.8 m -65.4 -24.1 67.12 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.082 -1.012 . . . . 0.0 108.343 179.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.6 HD22 ' HB2' ' B' ' 33' ' ' LYS . 10.5 mt -70.27 -52.75 20.6 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.672 -0.643 . . . . 0.0 109.675 179.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.81 -15.2 60.28 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.433 -0.792 . . . . 0.0 110.014 -179.478 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -79.03 -35.28 42.94 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.053 -1.029 . . . . 0.0 109.676 -179.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.442 ' O ' ' HB2' ' B' ' 29' ' ' LYS . 6.1 m-20 -139.54 48.04 1.85 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.245 -0.909 . . . . 0.0 109.666 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . 0.426 ' O ' ' HB2' ' B' ' 30' ' ' SER . . . -48.04 -25.94 4.18 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.399 -1.48 . . . . 0.0 109.399 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -101.6 44.38 1.02 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.348 -1.089 . . . . 0.0 109.426 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . 0.456 ' O ' ' HG2' ' B' ' 28' ' ' LYS . . . -114.0 -168.6 16.47 Favored Glycine 0 N--CA 1.487 2.055 0 N-CA-C 109.691 -1.364 . . . . 0.0 109.691 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -122.38 134.65 54.62 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.362 -1.081 . . . . 0.0 109.508 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -122.37 161.79 22.78 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.31 -0.868 . . . . 0.0 109.463 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -96.71 165.17 12.26 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.231 -0.918 . . . . 0.0 109.07 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.616 ' HB3' ' CE2' ' B' ' 14' ' ' PHE . 35.3 p90 -64.01 -46.58 83.87 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.036 -1.04 . . . . 0.0 109.133 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.594 ' N ' ' CG ' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -65.74 -25.74 67.42 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.254 -0.904 . . . . 0.0 109.07 179.674 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.52 ' N ' ' HG3' ' B' ' 71' ' ' GLN . 0.7 OUTLIER -70.66 -68.65 0.42 Allowed 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 179.231 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.644 ' O ' HG23 ' B' ' 77' ' ' VAL . 0.0 OUTLIER -48.44 -28.48 3.31 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 178.832 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.98 ' SD ' HD11 ' B' ' 10' ' ' LEU . 49.6 mmm -64.86 -57.73 8.06 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.488 -0.758 . . . . 0.0 109.714 -179.663 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.507 ' O ' ' HG3' ' B' ' 79' ' ' MET . . . -61.77 -22.98 65.89 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.139 -0.976 . . . . 0.0 109.055 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.588 ' CZ ' HG12 ' B' ' 56' ' ' VAL . 1.1 m-85 -75.4 -32.45 60.75 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 179.505 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.721 HG12 ' CE ' ' A' ' 7' ' ' MET . 65.3 t -69.55 -26.01 30.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.51 -0.744 . . . . 0.0 109.195 179.612 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . 0.451 ' O ' HG23 ' B' ' 82' ' ' THR . 24.4 p -78.87 -55.19 5.34 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.397 -0.814 . . . . 0.0 110.297 -179.602 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . 0.661 ' HB3' HG13 ' B' ' 52' ' ' VAL . 1.1 mtt -49.02 -48.95 43.29 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.144 -0.973 . . . . 0.0 109.471 -179.334 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.86 HG21 HG21 ' B' ' 36' ' ' ILE . 33.3 m -69.03 -47.99 72.28 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.417 0 O-C-N 121.379 -0.825 . . . . 0.0 110.342 -179.139 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.831 HG21 HD11 ' A' ' 11' ' ' ILE . 25.9 m -68.12 -6.12 21.38 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.052 -1.03 . . . . 0.0 109.87 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.451 HG23 ' O ' ' B' ' 78' ' ' SER . 81.5 p -119.31 -9.28 9.95 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.115 -0.991 . . . . 0.0 109.654 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.437 ' CB ' HG23 ' B' ' 53' ' ' VAL . . . . . . . . 0 N--CA 1.49 1.57 0 O-C-N 121.147 -0.971 . . . . 0.0 109.665 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 90.9 p . . . . . 0 N--CA 1.489 1.517 0 CA-C-O 121.274 0.559 . . . . 0.0 109.513 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.915 ' HB3' HG22 ' B' ' 13' ' ' VAL . 0.6 OUTLIER -72.72 -47.47 46.77 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.292 -0.88 . . . . 0.0 109.596 -179.844 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.881 HD23 ' HB3' ' B' ' 39' ' ' GLU . 16.6 tp -71.77 -47.97 49.92 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.276 -0.89 . . . . 0.0 109.672 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.563 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 56.3 tt0 -54.13 -49.28 69.56 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.258 -0.901 . . . . 0.0 110.251 -179.18 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.69 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 21.1 mtpp -64.79 -38.85 92.36 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 120.578 -1.326 . . . . 0.0 110.709 -178.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.681 ' HB2' ' CB ' ' B' ' 9' ' ' ALA . . . -80.11 -71.13 0.47 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.937 -1.102 . . . . 0.0 110.237 -179.409 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.953 ' SD ' HG12 ' B' ' 77' ' ' VAL . 8.2 tpt -44.56 -47.43 10.24 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.406 -0.809 . . . . 0.0 110.22 -179.435 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.563 ' CG2' ' O ' ' A' ' 4' ' ' GLU . 11.1 t -70.03 -32.98 53.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.194 -0.941 . . . . 0.0 109.709 -179.45 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.691 ' CB ' ' HB2' ' B' ' 6' ' ' ALA . . . -62.81 -31.42 72.41 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.119 -0.988 . . . . 0.0 109.115 179.505 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.478 ' N ' ' HB1' ' B' ' 6' ' ' ALA . 0.4 OUTLIER -65.15 -48.57 73.07 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.262 -0.898 . . . . 0.0 108.791 179.679 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.67 HD11 ' CG2' ' B' ' 81' ' ' THR . 1.5 mp -53.83 -31.64 20.77 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.416 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -59.71 -51.62 69.0 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.324 -0.86 . . . . 0.0 109.008 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.916 HG22 ' HB3' ' B' ' 2' ' ' GLU . 48.3 t -49.04 -33.93 6.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.369 -0.832 . . . . 0.0 109.343 179.655 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.559 ' CZ ' HD23 ' A' ' 27' ' ' LEU . 9.9 t80 -58.85 -47.33 85.26 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.378 -0.826 . . . . 0.0 109.892 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 23.9 t-80 -79.93 -2.32 43.29 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.23 -0.919 . . . . 0.0 109.782 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.415 ' HB2' ' HA ' ' A' ' 13' ' ' VAL . 1.8 mm-40 -87.62 -20.96 25.64 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.166 -0.959 . . . . 0.0 109.663 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -117.65 -32.32 4.9 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.284 -0.885 . . . . 0.0 109.799 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.58 0 O-C-N 121.239 -0.913 . . . . 0.0 109.616 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 . . . . . 0 N--CA 1.488 1.465 0 CA-C-O 121.214 0.53 . . . . 0.0 109.956 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.429 ' C ' ' HD2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -150.49 131.63 14.44 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.07 -1.019 . . . . 0.0 109.686 179.786 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.559 HD23 ' CZ ' ' A' ' 14' ' ' PHE . 0.5 OUTLIER -98.88 -160.74 0.82 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.263 -0.898 . . . . 0.0 109.346 179.809 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.407 ' O ' ' CB ' ' A' ' 32' ' ' LEU . 2.2 mtmt -149.16 -175.63 5.05 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.117 -0.989 . . . . 0.0 109.568 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.454 ' HB2' ' C ' ' A' ' 64' ' ' GLY . 30.6 mmtt -92.09 -22.1 20.09 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.271 -0.893 . . . . 0.0 109.457 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.8 t -80.25 -44.24 20.01 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.105 -0.997 . . . . 0.0 109.113 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.486 ' O ' ' HG3' ' A' ' 34' ' ' GLU . 1.1 tp10 -77.81 -23.94 48.92 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 179.152 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.514 ' O ' HG13 ' A' ' 36' ' ' ILE . 10.7 tp -75.98 -40.59 53.52 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 178.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.56 ' HB2' HD22 ' A' ' 60' ' ' LEU . 8.7 tmtt? -58.96 -45.58 90.18 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 179.041 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.549 ' HG3' ' N ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -69.91 -32.77 71.25 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 179.359 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.797 ' CD1' HD22 ' B' ' 3' ' ' LEU . 0.2 OUTLIER -57.0 -42.23 79.92 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-O 121.343 0.592 . . . . 0.0 109.422 179.817 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.832 HG23 HD23 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -74.28 -55.23 12.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.29 -0.882 . . . . 0.0 109.28 179.928 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.487 ' HA ' ' HB2' ' A' ' 41' ' ' SER . 53.6 t-20 -69.95 -1.45 9.7 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.21 -0.931 . . . . 0.0 110.175 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.536 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 9.9 t30 -87.87 -37.89 16.11 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.077 -1.014 . . . . 0.0 109.385 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.857 ' HB3' HD23 ' B' ' 3' ' ' LEU . 6.9 tp10 -130.57 -37.84 1.36 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.377 -0.827 . . . . 0.0 109.26 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.879 HD21 HG13 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -71.36 -2.97 18.22 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.216 -0.928 . . . . 0.0 109.934 -179.429 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.487 ' HB2' ' HA ' ' A' ' 37' ' ' ASN . 32.1 t -80.28 -13.56 59.1 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.163 -0.96 . . . . 0.0 109.394 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -61.92 -25.35 67.53 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.299 -0.876 . . . . 0.0 109.696 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -113.41 58.12 0.67 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.229 -0.92 . . . . 0.0 109.587 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.09 63.55 1.24 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.206 -0.934 . . . . 0.0 109.593 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -124.92 -35.36 2.69 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.275 -0.891 . . . . 0.0 109.386 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.433 ' O ' ' O ' ' A' ' 47' ' ' ILE . 3.5 mm-40 -122.65 -40.78 2.42 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.436 -0.79 . . . . 0.0 109.277 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.433 ' O ' ' O ' ' A' ' 46' ' ' GLU . 24.2 mt 61.54 121.83 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.367 -0.833 . . . . 0.0 109.506 179.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -96.96 -56.24 2.62 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.205 -0.935 . . . . 0.0 109.467 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.469 ' HB3' ' CG2' ' A' ' 52' ' ' VAL . 1.1 mm-40 -87.85 80.55 7.8 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.225 -0.922 . . . . 0.0 109.404 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.509 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 15.7 tm0? -59.07 -22.68 61.15 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.212 -0.93 . . . . 0.0 109.642 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -79.57 -38.03 35.02 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.306 -0.871 . . . . 0.0 109.44 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.469 ' CG2' ' HB3' ' A' ' 49' ' ' GLU . 95.7 t -64.34 -57.78 10.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.206 -0.934 . . . . 0.0 109.511 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.477 HG22 HG12 ' A' ' 80' ' ' VAL . 92.7 t -65.51 -29.47 47.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.227 -0.921 . . . . 0.0 109.485 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.509 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 50.1 t0 -74.14 -22.92 59.25 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.184 -0.948 . . . . 0.0 108.941 179.745 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.25 -52.83 7.26 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.392 -0.818 . . . . 0.0 109.677 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.591 HG23 ' N ' ' A' ' 57' ' ' MET . 31.5 m -65.04 -48.17 85.0 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 O-C-N 121.1 -1.0 . . . . 0.0 109.313 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.591 ' N ' HG23 ' A' ' 56' ' ' VAL . 55.0 tpp -62.39 -22.73 66.37 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.224 -0.923 . . . . 0.0 108.848 179.279 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.452 ' HG3' ' O ' ' A' ' 54' ' ' ASP . 3.5 mt-10 -72.33 -55.5 7.02 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.462 -0.774 . . . . 0.0 109.585 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.51 -29.41 69.98 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.045 -1.035 . . . . 0.0 108.326 179.421 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.56 HD22 ' HB2' ' A' ' 33' ' ' LYS . 9.8 mt -63.58 -53.52 50.49 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 179.433 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.97 -5.72 56.21 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.547 -0.721 . . . . 0.0 109.39 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -72.24 -28.59 63.25 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.327 -0.858 . . . . 0.0 109.324 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -145.01 -58.69 0.35 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.312 -0.868 . . . . 0.0 109.825 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.454 ' C ' ' HB2' ' A' ' 29' ' ' LYS . . . 79.95 -6.96 57.69 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.731 -1.348 . . . . 0.0 109.731 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -130.39 23.58 5.15 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.252 -1.146 . . . . 0.0 109.389 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.425 ' H ' ' CG ' ' A' ' 29' ' ' LYS . . . -89.98 178.95 43.88 Favored Glycine 0 N--CA 1.49 2.235 0 N-CA-C 109.594 -1.402 . . . . 0.0 109.594 -179.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -106.73 140.52 39.44 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.261 -1.141 . . . . 0.0 109.466 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.3 m -115.91 157.67 24.16 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.283 -0.885 . . . . 0.0 109.509 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -101.3 -163.07 0.98 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.203 -0.936 . . . . 0.0 109.298 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.61 ' CD2' ' HG3' ' A' ' 71' ' ' GLN . 1.3 p90 -88.04 -47.53 8.45 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.218 -0.926 . . . . 0.0 109.239 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.61 ' HG3' ' CD2' ' A' ' 70' ' ' PHE . 7.5 mt-30 -70.99 -16.36 62.63 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.183 -0.948 . . . . 0.0 109.093 179.626 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.65 -59.41 2.69 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.343 -0.848 . . . . 0.0 109.054 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.58 ' O ' ' CD1' ' A' ' 73' ' ' PHE . 1.7 t80 -63.27 -19.55 64.67 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.258 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.566 ' HE2' ' HB3' ' B' ' 78' ' ' SER . 7.7 mmm -79.98 -52.44 7.84 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.285 -0.884 . . . . 0.0 109.021 179.711 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.499 ' O ' ' HG3' ' A' ' 79' ' ' MET . . . -68.65 -16.04 63.71 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.209 -0.932 . . . . 0.0 108.856 179.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.658 ' O ' HG22 ' A' ' 80' ' ' VAL . 1.7 m-85 -78.2 -37.69 45.02 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.475 -0.766 . . . . 0.0 109.304 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.957 HG12 ' SD ' ' B' ' 7' ' ' MET . 78.2 t -75.33 -30.34 22.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.431 -0.793 . . . . 0.0 109.755 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.57 ' HB3' ' HE2' ' B' ' 74' ' ' MET . 37.9 m -77.13 -38.22 52.48 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.15 -0.969 . . . . 0.0 110.253 -179.455 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.499 ' HG3' ' O ' ' A' ' 75' ' ' ALA . 1.2 mmm -60.67 -50.44 73.49 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.055 -1.028 . . . . 0.0 110.395 -179.468 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.781 HG21 HG23 ' A' ' 36' ' ' ILE . 1.7 m -68.25 -36.2 74.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.122 -0.986 . . . . 0.0 110.487 -179.005 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.706 ' CG2' HD11 ' B' ' 11' ' ' ILE . 10.4 m -67.75 -7.79 30.25 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.989 -1.069 . . . . 0.0 110.134 -179.318 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.499 ' HB ' ' HG2' ' B' ' 71' ' ' GLN . 27.0 p -120.78 -10.54 9.14 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.914 -1.116 . . . . 0.0 109.614 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.499 0 O-C-N 121.158 -0.964 . . . . 0.0 109.396 179.801 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 91.2 p . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.916 ' HB3' HG22 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -72.7 -47.38 47.74 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.276 -0.89 . . . . 0.0 109.591 -179.835 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.857 HD23 ' HB3' ' A' ' 39' ' ' GLU . 16.7 tp -71.78 -48.08 49.05 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.243 -0.911 . . . . 0.0 109.693 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.563 ' O ' ' CG2' ' B' ' 8' ' ' VAL . 56.1 tt0 -54.21 -49.07 70.26 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 121.285 -0.885 . . . . 0.0 110.277 -179.115 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.681 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 21.0 mtpp -64.79 -38.85 92.38 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 120.733 -1.229 . . . . 0.0 110.721 -179.023 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.691 ' HB2' ' CB ' ' A' ' 9' ' ' ALA . . . -80.19 -71.08 0.47 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.847 -1.158 . . . . 0.0 110.205 -179.373 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . 0.957 ' SD ' HG12 ' A' ' 77' ' ' VAL . 8.2 tpt -44.68 -47.31 10.58 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.408 -0.808 . . . . 0.0 110.251 -179.365 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.563 ' CG2' ' O ' ' B' ' 4' ' ' GLU . 11.3 t -70.14 -32.96 52.84 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.531 0 O-C-N 121.196 -0.94 . . . . 0.0 109.681 -179.466 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.681 ' CB ' ' HB2' ' A' ' 6' ' ' ALA . . . -62.75 -31.38 72.31 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.162 -0.961 . . . . 0.0 109.095 179.46 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.506 HD13 ' HE1' ' B' ' 74' ' ' MET . 0.4 OUTLIER -65.28 -48.47 73.08 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.237 -0.914 . . . . 0.0 108.835 179.712 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.706 HD11 ' CG2' ' A' ' 81' ' ' THR . 1.5 mp -53.83 -31.6 20.72 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 O-C-N 121.23 -0.919 . . . . 0.0 108.641 179.363 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -59.7 -51.66 68.83 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.406 -0.809 . . . . 0.0 109.028 179.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . 0.915 HG22 ' HB3' ' A' ' 2' ' ' GLU . 48.4 t -49.04 -33.93 6.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.366 -0.834 . . . . 0.0 109.29 179.655 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.556 ' CZ ' HD23 ' B' ' 27' ' ' LEU . 10.1 t80 -58.92 -47.24 85.74 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.303 -0.873 . . . . 0.0 109.847 -179.743 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 23.9 t-80 -79.99 -2.44 44.05 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.192 -0.943 . . . . 0.0 109.726 -179.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.412 ' HB2' ' HA ' ' B' ' 13' ' ' VAL . 1.8 mm-40 -87.4 -21.05 25.86 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.153 -0.967 . . . . 0.0 109.678 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -117.67 -32.3 4.9 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.169 -0.957 . . . . 0.0 109.767 -179.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.655 0 O-C-N 121.276 -0.89 . . . . 0.0 109.553 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 121.196 0.522 . . . . 0.0 109.909 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.425 ' HD2' ' C ' ' B' ' 26' ' ' LYS . 0.0 OUTLIER -150.44 131.63 14.48 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.151 -0.968 . . . . 0.0 109.617 179.777 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.556 HD23 ' CZ ' ' B' ' 14' ' ' PHE . 0.5 OUTLIER -98.92 -160.71 0.82 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.252 -0.905 . . . . 0.0 109.282 179.782 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.405 ' O ' ' CB ' ' B' ' 32' ' ' LEU . 2.2 mtmt -149.21 -175.63 5.05 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.247 -0.908 . . . . 0.0 109.497 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.449 ' HB2' ' C ' ' B' ' 64' ' ' GLY . 30.6 mmtt -91.97 -22.33 20.07 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.22 -0.925 . . . . 0.0 109.478 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 30.8 t -80.13 -44.19 20.34 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.198 -0.939 . . . . 0.0 109.124 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.486 ' O ' ' HG3' ' B' ' 34' ' ' GLU . 1.1 tp10 -77.86 -23.98 48.68 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 179.229 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.511 HD13 ' CD1' ' B' ' 73' ' ' PHE . 10.9 tp -75.77 -40.69 54.85 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 178.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.55 ' HB2' HD22 ' B' ' 60' ' ' LEU . 8.8 tmtt? -58.91 -45.64 89.81 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 179.093 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.542 ' HG3' ' N ' ' B' ' 35' ' ' LEU . 0.0 OUTLIER -69.94 -32.61 70.97 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 179.393 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.768 ' CD1' HD22 ' A' ' 3' ' ' LEU . 0.2 OUTLIER -57.07 -42.29 80.34 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 179.826 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.824 HG23 HD23 ' B' ' 40' ' ' LEU . 0.6 OUTLIER -74.25 -55.15 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.338 -0.852 . . . . 0.0 109.304 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.492 ' HA ' ' HB2' ' B' ' 41' ' ' SER . 53.6 t-20 -69.98 -1.48 9.84 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.293 -0.88 . . . . 0.0 110.246 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.538 ' CB ' ' O ' ' B' ' 34' ' ' GLU . 9.9 t30 -87.84 -37.86 16.18 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.103 -0.998 . . . . 0.0 109.392 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.881 ' HB3' HD23 ' A' ' 3' ' ' LEU . 6.9 tp10 -130.59 -37.77 1.36 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.396 -0.815 . . . . 0.0 109.317 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.878 HD21 HG13 ' B' ' 77' ' ' VAL . 0.0 OUTLIER -71.4 -2.93 18.2 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.36 -0.838 . . . . 0.0 109.869 -179.408 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.492 ' HB2' ' HA ' ' B' ' 37' ' ' ASN . 32.3 t -80.29 -13.53 59.12 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.155 -0.965 . . . . 0.0 109.337 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -62.04 -25.39 67.64 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.278 -0.889 . . . . 0.0 109.601 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -113.35 58.05 0.67 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.299 -0.875 . . . . 0.0 109.528 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.07 63.54 1.23 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.172 -0.955 . . . . 0.0 109.529 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -124.88 -35.48 2.68 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.362 -0.836 . . . . 0.0 109.261 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . 0.43 ' O ' ' O ' ' B' ' 47' ' ' ILE . 3.5 mm-40 -122.53 -40.87 2.42 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.413 -0.805 . . . . 0.0 109.338 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.43 ' O ' ' O ' ' B' ' 46' ' ' GLU . 23.7 mt 61.63 121.71 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.297 -0.877 . . . . 0.0 109.627 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -96.93 -56.23 2.63 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.208 -0.933 . . . . 0.0 109.507 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.471 ' HB3' ' CG2' ' B' ' 52' ' ' VAL . 1.1 mm-40 -87.84 80.54 7.81 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.184 -0.947 . . . . 0.0 109.434 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . 0.508 ' O ' ' CB ' ' B' ' 54' ' ' ASP . 15.7 tm0? -59.05 -22.7 61.14 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.236 -0.915 . . . . 0.0 109.643 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -79.6 -38.0 34.93 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.187 -0.945 . . . . 0.0 109.436 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.471 ' CG2' ' HB3' ' B' ' 49' ' ' GLU . 95.1 t -64.37 -57.82 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.36 -0.838 . . . . 0.0 109.501 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.479 HG22 HG12 ' B' ' 80' ' ' VAL . 92.5 t -65.36 -29.58 47.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.277 -0.89 . . . . 0.0 109.473 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . 0.508 ' CB ' ' O ' ' B' ' 50' ' ' GLN . 50.2 t0 -74.1 -22.97 59.27 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.198 -0.939 . . . . 0.0 108.994 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.25 -52.74 7.37 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.295 -0.878 . . . . 0.0 109.633 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.596 HG23 ' N ' ' B' ' 57' ' ' MET . 30.9 m -65.08 -48.35 84.23 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.333 0 O-C-N 121.132 -0.98 . . . . 0.0 109.211 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.596 ' N ' HG23 ' B' ' 56' ' ' VAL . 55.1 tpp -62.25 -22.72 66.2 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.288 -0.882 . . . . 0.0 108.82 179.353 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' B' ' 54' ' ' ASP . 3.5 mt-10 -72.39 -55.49 6.99 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.409 -0.807 . . . . 0.0 109.651 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.57 -29.41 70.0 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.95 -1.094 . . . . 0.0 108.165 179.475 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.552 HD11 ' CD1' ' B' ' 36' ' ' ILE . 9.8 mt -63.51 -53.65 48.61 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 121.564 0.697 . . . . 0.0 109.202 179.479 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.82 -5.79 56.09 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.589 -0.694 . . . . 0.0 109.408 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -72.11 -28.69 63.45 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.211 -0.931 . . . . 0.0 109.405 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -145.0 -58.76 0.35 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.303 -0.873 . . . . 0.0 109.702 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . 0.449 ' C ' ' HB2' ' B' ' 29' ' ' LYS . . . 79.91 -6.85 57.9 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.588 -1.405 . . . . 0.0 109.588 -179.742 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -130.42 23.51 5.14 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.25 -1.147 . . . . 0.0 109.458 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . 0.423 ' H ' ' CG ' ' B' ' 29' ' ' LYS . . . -89.96 178.9 43.88 Favored Glycine 0 N--CA 1.489 2.194 0 N-CA-C 109.641 -1.383 . . . . 0.0 109.641 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -106.68 140.47 39.49 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.235 -1.156 . . . . 0.0 109.501 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 1.3 m -115.84 157.7 24.03 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.238 -0.914 . . . . 0.0 109.557 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -101.37 -163.09 0.99 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.272 -0.893 . . . . 0.0 109.262 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.611 ' CD2' ' HG3' ' B' ' 71' ' ' GLN . 1.3 p90 -88.03 -47.52 8.46 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.189 -0.944 . . . . 0.0 109.362 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.611 ' HG3' ' CD2' ' B' ' 70' ' ' PHE . 7.4 mt-30 -70.95 -16.39 62.65 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.155 -0.966 . . . . 0.0 109.058 179.553 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.56 -59.47 2.68 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.298 -0.877 . . . . 0.0 109.029 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.577 ' O ' ' CD1' ' B' ' 73' ' ' PHE . 1.7 t80 -63.24 -19.58 64.68 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.23 -0.919 . . . . 0.0 108.539 179.278 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.57 ' HE2' ' HB3' ' A' ' 78' ' ' SER . 7.7 mmm -79.93 -52.44 7.85 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.241 -0.912 . . . . 0.0 109.062 179.701 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.501 ' O ' ' HG3' ' B' ' 79' ' ' MET . . . -68.46 -16.18 63.81 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.384 -0.823 . . . . 0.0 108.85 179.569 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.65 ' O ' HG22 ' B' ' 80' ' ' VAL . 1.7 m-85 -78.17 -37.73 45.12 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.425 -0.797 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.953 HG12 ' SD ' ' A' ' 7' ' ' MET . 78.5 t -75.35 -30.28 22.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.373 -0.829 . . . . 0.0 109.784 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . 0.566 ' HB3' ' HE2' ' A' ' 74' ' ' MET . 38.7 m -77.12 -38.37 52.29 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.112 -0.992 . . . . 0.0 110.162 -179.433 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . 0.501 ' HG3' ' O ' ' B' ' 75' ' ' ALA . 1.2 mmm -60.64 -50.45 73.45 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.116 -0.99 . . . . 0.0 110.339 -179.377 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.768 HG21 HG23 ' B' ' 36' ' ' ILE . 1.7 m -68.15 -36.19 74.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.016 -1.053 . . . . 0.0 110.566 -178.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.678 HG21 ' HG3' ' A' ' 7' ' ' MET . 10.5 m -67.87 -7.7 30.29 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.955 -1.091 . . . . 0.0 110.227 -179.331 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.492 ' HB ' ' HG2' ' A' ' 71' ' ' GLN . 26.6 p -120.74 -10.6 9.14 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.083 -1.011 . . . . 0.0 109.566 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.155 -0.966 . . . . 0.0 109.292 179.839 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 6.1 ptm . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.453 ' HB2' ' HG3' ' B' ' 39' ' ' GLU . 17.2 p -130.14 177.49 7.27 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.335 -0.853 . . . . 0.0 109.436 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.496 ' CB ' HG22 ' B' ' 13' ' ' VAL . 11.7 mm-40 -80.75 -58.36 3.14 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.232 -0.917 . . . . 0.0 110.531 -179.497 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.958 HD22 HD12 ' B' ' 35' ' ' LEU . 1.7 tp -60.31 -30.9 69.79 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.156 -0.965 . . . . 0.0 110.706 -178.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.6 ' O ' HG23 ' A' ' 8' ' ' VAL . 17.1 tt0 -73.01 -65.63 0.77 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.999 -1.063 . . . . 0.0 110.633 -178.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.487 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.5 OUTLIER -54.81 -36.79 65.33 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.782 -1.199 . . . . 0.0 109.945 -179.252 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -81.06 -69.75 0.58 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.318 -0.864 . . . . 0.0 110.672 -179.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.64 ' HE2' ' HA ' ' B' ' 78' ' ' SER . 11.8 tpt -48.94 -54.03 17.2 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.24 -0.913 . . . . 0.0 109.659 -179.323 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 4' ' ' GLU . 15.6 t -56.2 -33.99 38.41 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.624 0 O-C-N 121.427 -0.796 . . . . 0.0 109.79 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.487 ' HB2' ' O ' ' A' ' 5' ' ' LYS . . . -60.55 -35.6 76.41 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.093 -1.004 . . . . 0.0 108.959 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.834 HD13 ' HE1' ' A' ' 74' ' ' MET . 0.4 OUTLIER -58.83 -50.14 75.09 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.142 -0.974 . . . . 0.0 108.775 179.503 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.618 HG23 ' HE1' ' B' ' 88' ' ' PHE . 20.6 mt -50.46 -27.22 4.29 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.279 -0.888 . . . . 0.0 108.611 179.28 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -72.12 -45.51 60.3 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.627 -0.671 . . . . 0.0 109.635 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.484 HG22 ' CB ' ' B' ' 2' ' ' GLU . 24.3 t -50.0 -46.06 23.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.388 -0.82 . . . . 0.0 109.669 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.58 ' HB3' ' CZ ' ' B' ' 88' ' ' PHE . 0.1 OUTLIER -61.18 -41.27 96.5 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.021 -1.049 . . . . 0.0 109.551 -179.688 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -69.72 -18.82 63.56 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.237 -0.914 . . . . 0.0 109.253 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 17' ' ' TYR . 28.1 tt0 -95.17 -77.94 0.46 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.327 -0.858 . . . . 0.0 109.585 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.494 ' CG ' HD21 ' A' ' 35' ' ' LEU . 5.0 m-85 -43.03 -51.89 5.51 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.346 -0.846 . . . . 0.0 109.746 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.48 -30.83 67.73 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.173 -0.954 . . . . 0.0 109.559 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.452 ' HA2' ' HG3' ' A' ' 24' ' ' LYS . . . -70.61 -3.85 50.44 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.706 -1.358 . . . . 0.0 109.706 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.2 mtt180 -61.58 -67.41 0.41 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.144 -1.209 . . . . 0.0 109.726 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -80.04 -170.22 2.37 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.355 -0.841 . . . . 0.0 109.991 -179.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 23' ' ' ASP . . . -57.79 -58.01 16.83 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.887 -1.285 . . . . 0.0 109.887 -179.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.447 ' HB2' ' HG2' ' A' ' 26' ' ' LYS . 4.7 p-10 -43.74 147.29 0.46 Allowed 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.32 -1.106 . . . . 0.0 109.833 -179.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.508 ' C ' ' CG ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -140.23 20.94 2.42 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.283 -0.885 . . . . 0.0 109.101 179.652 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.508 ' CG ' ' C ' ' A' ' 24' ' ' LYS . 11.8 m-70 -153.95 17.78 0.51 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.283 -0.885 . . . . 0.0 109.738 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.447 ' HG2' ' HB2' ' A' ' 23' ' ' ASP . 0.0 OUTLIER -150.4 130.59 13.6 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.096 -1.002 . . . . 0.0 109.49 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.6 tp -98.9 -166.55 1.37 Allowed 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.281 -0.887 . . . . 0.0 109.326 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.488 ' HA ' ' HA ' ' A' ' 67' ' ' GLU . 2.7 ttmt -130.88 134.01 46.4 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.29 -0.881 . . . . 0.0 108.88 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.597 ' HD2' ' N ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -40.99 -29.99 0.12 Allowed 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.292 -0.88 . . . . 0.0 110.638 -179.152 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.597 ' N ' ' HD2' ' A' ' 29' ' ' LYS . 7.1 t -80.09 -40.87 26.69 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.849 -1.157 . . . . 0.0 110.09 -179.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.522 ' O ' ' HB2' ' A' ' 35' ' ' LEU . 1.1 tp10 -72.76 -16.74 61.64 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 120.938 -1.101 . . . . 0.0 108.722 179.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.481 ' O ' HG13 ' A' ' 36' ' ' ILE . 23.0 tp -81.54 -55.13 4.87 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 178.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.726 ' HG3' HD13 ' A' ' 60' ' ' LEU . 23.3 tttt -55.34 -36.35 66.17 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 178.453 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.532 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 0.1 OUTLIER -73.9 -35.81 64.69 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 179.305 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.913 HD12 HD22 ' B' ' 3' ' ' LEU . 0.1 OUTLIER -57.43 -38.96 75.24 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.579 -0.701 . . . . 0.0 109.481 179.648 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.733 HG21 HG21 ' A' ' 80' ' ' VAL . 0.7 OUTLIER -80.99 -52.88 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.429 -0.795 . . . . 0.0 110.653 -179.306 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.443 ' O ' ' OD1' ' A' ' 37' ' ' ASN . 20.8 t-20 -74.96 -1.72 23.86 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.241 -0.912 . . . . 0.0 111.038 -178.493 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.532 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 11.2 t30 -111.05 -63.77 1.36 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.833 -1.167 . . . . 0.0 109.722 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.563 ' HB3' ' CB ' ' B' ' 3' ' ' LEU . 1.0 OUTLIER -63.93 -57.24 10.37 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.224 -0.922 . . . . 0.0 109.646 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.639 HD11 ' HG2' ' B' ' 7' ' ' MET . 9.3 mt -73.68 -101.49 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.152 -0.968 . . . . 0.0 109.234 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 40' ' ' LEU . 9.6 t 39.43 88.77 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.32 -0.863 . . . . 0.0 110.027 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -167.11 -59.56 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.122 -0.986 . . . . 0.0 109.779 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.416 ' HE2' HD22 ' A' ' 40' ' ' LEU . 35.8 p90 -88.25 23.81 2.05 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.222 -0.924 . . . . 0.0 109.747 -179.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -87.45 125.08 34.07 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.168 -0.957 . . . . 0.0 108.857 179.497 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -130.34 -78.05 0.54 Allowed 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.228 -0.92 . . . . 0.0 109.746 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -106.95 -22.65 12.61 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.242 -0.911 . . . . 0.0 109.989 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.4 mt 61.03 88.78 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.091 -1.006 . . . . 0.0 109.158 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.43 ' HD3' ' CG ' ' A' ' 85' ' ' HIS . 24.5 tttt -71.64 -33.36 68.85 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.187 -0.946 . . . . 0.0 109.945 -179.539 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.827 ' OE1' HG23 ' A' ' 52' ' ' VAL . 10.4 mm-40 -85.88 60.69 6.39 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.907 -1.121 . . . . 0.0 109.457 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.544 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 37.6 tt0 -54.11 -21.58 8.93 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.29 -0.881 . . . . 0.0 109.085 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -80.12 -36.04 35.89 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.322 -0.861 . . . . 0.0 109.59 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.827 HG23 ' OE1' ' A' ' 49' ' ' GLU . 63.2 t -68.76 -51.16 48.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.197 -0.939 . . . . 0.0 109.38 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.548 ' O ' ' CB ' ' A' ' 57' ' ' MET . 39.0 t -72.85 -30.5 32.96 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.292 -0.88 . . . . 0.0 109.649 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.544 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 32.9 t0 -79.78 -18.65 50.49 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.955 -1.091 . . . . 0.0 108.842 179.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.86 -49.15 11.41 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.346 -0.846 . . . . 0.0 109.299 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.772 HG22 ' O ' ' A' ' 52' ' ' VAL . 2.1 m -76.71 -35.48 25.12 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 O-C-N 121.194 -0.941 . . . . 0.0 108.662 179.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.548 ' CB ' ' O ' ' A' ' 53' ' ' VAL . 4.1 ttm -71.12 -24.85 62.37 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 179.133 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 54' ' ' ASP . 22.6 mt-10 -73.48 -55.17 6.69 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 179.317 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.474 ' O ' ' OD2' ' A' ' 63' ' ' ASP . 8.8 m -60.89 -26.98 67.81 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.135 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.726 HD13 ' HG3' ' A' ' 33' ' ' LYS . 10.5 mt -66.08 -54.13 29.5 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 179.391 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.2 -3.99 51.3 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.618 -0.676 . . . . 0.0 109.795 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -79.91 -42.71 23.57 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.134 -0.979 . . . . 0.0 110.073 -179.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.474 ' OD2' ' O ' ' A' ' 59' ' ' THR . 0.0 OUTLIER -94.58 -60.34 1.73 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.201 -0.937 . . . . 0.0 109.56 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.518 ' HA2' ' HD3' ' A' ' 29' ' ' LYS . . . 44.3 25.9 0.85 Allowed Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.25 -1.54 . . . . 0.0 109.25 -179.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 63' ' ' ASP . 22.7 t0 -143.83 -7.54 0.74 Allowed 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.309 -1.113 . . . . 0.0 110.846 -179.154 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.481 ' O ' ' HG3' ' A' ' 29' ' ' LYS . . . -115.14 -164.06 14.27 Favored Glycine 0 N--CA 1.488 2.136 0 O-C-N 120.672 -1.267 . . . . 0.0 110.238 -179.217 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.488 ' HA ' ' HA ' ' A' ' 28' ' ' LYS . 1.6 mp0 -121.46 155.28 35.24 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.407 -1.055 . . . . 0.0 109.495 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 15.1 m -99.97 165.3 11.61 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.223 -0.923 . . . . 0.0 109.598 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -102.02 -163.6 1.02 Allowed 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.205 -0.935 . . . . 0.0 109.39 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.629 ' CZ ' ' CG ' ' A' ' 71' ' ' GLN . 10.4 p90 -92.54 -33.53 14.42 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.262 -0.899 . . . . 0.0 109.229 179.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.629 ' CG ' ' CZ ' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -80.26 -23.62 40.66 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 178.66 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -78.09 -54.28 6.44 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.799 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -64.54 -19.31 65.55 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.292 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.834 ' HE1' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -78.27 -52.32 8.83 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.407 -0.808 . . . . 0.0 109.418 179.89 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.509 ' O ' ' HG3' ' A' ' 79' ' ' MET . . . -70.53 -17.54 62.94 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.266 -0.896 . . . . 0.0 108.929 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.639 ' O ' HG22 ' A' ' 80' ' ' VAL . 1.5 m-85 -80.14 -39.27 29.79 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.444 -0.785 . . . . 0.0 109.541 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.799 HG23 ' O ' ' A' ' 73' ' ' PHE . 59.8 t -71.51 -26.91 27.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 O-C-N 121.226 -0.921 . . . . 0.0 110.325 -179.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.65 ' HA ' ' HE2' ' B' ' 7' ' ' MET . 3.7 m -77.8 -44.39 27.62 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.09 -1.006 . . . . 0.0 110.409 -179.294 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.509 ' HG3' ' O ' ' A' ' 75' ' ' ALA . 1.9 mmm -57.58 -44.8 85.6 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.085 -1.01 . . . . 0.0 110.468 -179.221 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.733 HG21 HG21 ' A' ' 36' ' ' ILE . 2.6 m -69.98 -40.67 78.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.133 -0.98 . . . . 0.0 110.681 -178.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.645 HG21 ' HG3' ' B' ' 7' ' ' MET . 2.0 m -67.07 -8.63 31.94 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.731 -1.231 . . . . 0.0 109.304 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.566 ' HB ' ' CE2' ' B' ' 70' ' ' PHE . 10.4 p -117.2 -0.4 12.08 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.297 -0.877 . . . . 0.0 109.709 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.489 ' CB ' HG23 ' A' ' 53' ' ' VAL . . . -61.06 -64.06 1.08 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.158 -0.964 . . . . 0.0 109.608 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -50.63 132.08 25.64 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.188 -0.945 . . . . 0.0 109.502 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.43 ' CG ' ' HD3' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -67.55 -47.17 70.62 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.115 -0.991 . . . . 0.0 109.46 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.498 ' O ' ' CG ' ' A' ' 86' ' ' GLU . 1.5 pt-20 -75.4 100.87 4.58 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.302 -0.874 . . . . 0.0 109.334 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.453 ' CE2' ' CE2' ' B' ' 70' ' ' PHE . 0.1 OUTLIER -121.46 -11.59 8.7 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.169 -0.957 . . . . 0.0 109.45 179.781 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.638 ' HE1' HG23 ' B' ' 11' ' ' ILE . 11.8 m-85 -118.44 5.99 11.78 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.149 -0.969 . . . . 0.0 109.47 179.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -122.0 99.67 6.56 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.189 -0.945 . . . . 0.0 109.85 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.43 ' ND1' ' O ' ' A' ' 90' ' ' HIS . 0.0 OUTLIER -119.33 71.49 0.87 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.29 -0.881 . . . . 0.0 109.728 179.758 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.612 0 O-C-N 121.069 -1.019 . . . . 0.0 109.46 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 6.1 ptm . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . 0.441 ' HB2' ' HG3' ' A' ' 39' ' ' GLU . 17.0 p -130.12 177.52 7.24 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.215 -0.928 . . . . 0.0 109.528 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.484 ' CB ' HG22 ' A' ' 13' ' ' VAL . 11.7 mm-40 -80.74 -58.4 3.12 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.271 -0.893 . . . . 0.0 110.617 -179.478 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.913 HD22 HD12 ' A' ' 35' ' ' LEU . 1.6 tp -60.25 -30.99 69.78 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.217 -0.927 . . . . 0.0 110.686 -178.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.606 ' O ' HG23 ' B' ' 8' ' ' VAL . 17.1 tt0 -72.88 -65.81 0.75 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.911 -1.118 . . . . 0.0 110.643 -178.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.492 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 0.5 OUTLIER -54.85 -36.7 65.34 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.82 -1.175 . . . . 0.0 109.852 -179.198 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -81.07 -69.9 0.57 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.268 -0.895 . . . . 0.0 110.647 -179.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . 0.65 ' HE2' ' HA ' ' A' ' 78' ' ' SER . 11.9 tpt -48.81 -54.17 16.24 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.28 -0.888 . . . . 0.0 109.557 -179.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.606 HG23 ' O ' ' B' ' 4' ' ' GLU . 15.6 t -56.12 -33.93 37.76 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 O-C-N 121.497 -0.752 . . . . 0.0 109.828 -179.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.492 ' HB2' ' O ' ' B' ' 5' ' ' LYS . . . -60.68 -35.64 76.77 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.069 -1.02 . . . . 0.0 108.941 179.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.836 HD13 ' CE ' ' B' ' 74' ' ' MET . 0.4 OUTLIER -58.72 -50.2 74.77 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.226 -0.921 . . . . 0.0 108.761 179.48 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.638 HG23 ' HE1' ' A' ' 88' ' ' PHE . 20.7 mt -50.44 -27.26 4.29 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 179.283 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -72.08 -45.44 60.67 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.58 -0.7 . . . . 0.0 109.685 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.496 HG22 ' CB ' ' A' ' 2' ' ' GLU . 24.4 t -50.02 -46.08 23.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.4 -0.812 . . . . 0.0 109.655 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.544 ' HB3' ' CZ ' ' A' ' 88' ' ' PHE . 0.1 OUTLIER -61.17 -41.23 96.41 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.047 -1.033 . . . . 0.0 109.549 -179.696 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -69.72 -18.87 63.55 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.213 -0.93 . . . . 0.0 109.254 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' B' ' 17' ' ' TYR . 28.0 tt0 -95.27 -77.71 0.47 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.363 -0.836 . . . . 0.0 109.609 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.49 ' CG ' HD21 ' B' ' 35' ' ' LEU . 4.9 m-85 -43.17 -51.93 5.78 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.259 -0.901 . . . . 0.0 109.717 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.3 -30.99 68.12 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.223 -0.923 . . . . 0.0 109.596 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . 0.46 ' HA2' ' HG3' ' B' ' 24' ' ' LYS . . . -70.6 -3.91 50.58 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.707 -1.357 . . . . 0.0 109.707 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' B' ' 17' ' ' TYR . 14.2 mtt180 -61.52 -67.51 0.4 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.254 -1.145 . . . . 0.0 109.728 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -79.94 -170.2 2.34 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.38 -0.825 . . . . 0.0 109.938 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' B' ' 23' ' ' ASP . . . -57.81 -57.84 17.7 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.93 -1.268 . . . . 0.0 109.93 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.435 ' HB2' ' HG2' ' B' ' 26' ' ' LYS . 4.7 p-10 -43.67 147.21 0.46 Allowed 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.337 -1.096 . . . . 0.0 109.893 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.513 ' C ' ' CG ' ' B' ' 25' ' ' HIS . 0.0 OUTLIER -140.09 20.79 2.45 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.352 -0.843 . . . . 0.0 109.183 179.628 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . 0.513 ' CG ' ' C ' ' B' ' 24' ' ' LYS . 11.5 m-70 -153.93 17.68 0.51 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.206 -0.934 . . . . 0.0 109.834 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.435 ' HG2' ' HB2' ' B' ' 23' ' ' ASP . 0.0 OUTLIER -150.39 130.74 13.73 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.176 -0.953 . . . . 0.0 109.5 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 3.6 tp -98.98 -166.54 1.37 Allowed 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.351 -0.843 . . . . 0.0 109.294 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.486 ' HA ' ' HA ' ' B' ' 67' ' ' GLU . 2.7 ttmt -130.85 134.02 46.44 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.377 -0.827 . . . . 0.0 108.973 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.587 ' HD2' ' N ' ' B' ' 30' ' ' SER . 0.0 OUTLIER -41.0 -30.01 0.12 Allowed 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.233 -0.917 . . . . 0.0 110.542 -179.131 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.587 ' N ' ' HD2' ' B' ' 29' ' ' LYS . 7.1 t -80.17 -40.91 26.34 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.916 -1.115 . . . . 0.0 110.047 -179.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.511 ' O ' ' HB2' ' B' ' 35' ' ' LEU . 1.1 tp10 -72.68 -16.86 61.68 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.059 -1.026 . . . . 0.0 108.642 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.474 ' O ' HG13 ' B' ' 36' ' ' ILE . 23.1 tp -81.46 -55.2 4.84 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 178.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.723 ' HG3' HD13 ' B' ' 60' ' ' LEU . 23.2 tttt -55.38 -36.31 66.25 Favored 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 178.464 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.53 ' O ' ' CB ' ' B' ' 38' ' ' ASN . 0.1 OUTLIER -73.9 -35.98 64.72 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 179.337 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.958 HD12 HD22 ' A' ' 3' ' ' LEU . 0.1 OUTLIER -57.44 -38.96 75.26 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.51 -0.744 . . . . 0.0 109.381 179.702 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.725 HG21 HG21 ' B' ' 80' ' ' VAL . 0.7 OUTLIER -81.04 -52.78 13.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.393 -0.817 . . . . 0.0 110.698 -179.331 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.441 ' OD1' ' O ' ' B' ' 37' ' ' ASN . 20.8 t-20 -75.12 -1.56 23.64 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.213 -0.93 . . . . 0.0 110.944 -178.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.53 ' CB ' ' O ' ' B' ' 34' ' ' GLU . 11.3 t30 -111.17 -63.75 1.37 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.791 -1.193 . . . . 0.0 109.723 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.551 ' HB3' ' CB ' ' A' ' 3' ' ' LEU . 1.0 OUTLIER -64.04 -57.19 10.41 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.123 -0.986 . . . . 0.0 109.501 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.628 HD11 ' HG2' ' A' ' 7' ' ' MET . 9.3 mt -73.75 -101.51 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.115 -0.991 . . . . 0.0 109.226 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.447 ' C ' ' O ' ' B' ' 40' ' ' LEU . 9.6 t 39.36 88.79 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.272 -0.892 . . . . 0.0 110.075 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -167.07 -59.66 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.244 -0.91 . . . . 0.0 109.734 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . 0.414 ' HE2' HD22 ' B' ' 40' ' ' LEU . 36.1 p90 -88.1 23.77 2.01 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.138 -0.976 . . . . 0.0 109.823 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -87.49 125.15 34.14 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.178 -0.952 . . . . 0.0 108.956 179.512 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -130.41 -78.12 0.54 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.291 -0.881 . . . . 0.0 109.769 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -106.93 -22.69 12.6 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.371 -0.83 . . . . 0.0 109.978 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 15.6 mt 61.11 88.8 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.105 -0.997 . . . . 0.0 109.131 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.429 ' HD3' ' CG ' ' B' ' 85' ' ' HIS . 24.7 tttt -71.74 -33.21 68.5 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.108 -0.995 . . . . 0.0 109.965 -179.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.811 ' OE1' HG23 ' B' ' 52' ' ' VAL . 10.3 mm-40 -86.03 60.81 6.46 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.113 -0.992 . . . . 0.0 109.361 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . 0.555 ' O ' ' CB ' ' B' ' 54' ' ' ASP . 37.6 tt0 -54.1 -21.7 9.17 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.276 -0.89 . . . . 0.0 109.101 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -80.03 -35.97 36.47 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.286 -0.884 . . . . 0.0 109.657 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.811 HG23 ' OE1' ' B' ' 49' ' ' GLU . 63.2 t -68.77 -51.21 47.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.253 -0.905 . . . . 0.0 109.417 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.541 ' O ' ' CB ' ' B' ' 57' ' ' MET . 38.8 t -72.87 -30.49 32.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.222 -0.924 . . . . 0.0 109.594 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . 0.555 ' CB ' ' O ' ' B' ' 50' ' ' GLN . 32.9 t0 -79.81 -18.61 50.51 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.974 -1.079 . . . . 0.0 108.743 179.437 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.94 -49.16 11.33 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.324 -0.86 . . . . 0.0 109.319 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.778 HG22 ' O ' ' B' ' 52' ' ' VAL . 2.2 m -76.69 -35.49 25.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.132 -0.98 . . . . 0.0 108.678 179.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.541 ' CB ' ' O ' ' B' ' 53' ' ' VAL . 4.1 ttm -71.3 -24.75 62.2 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.158 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . 0.496 ' CG ' ' O ' ' B' ' 54' ' ' ASP . 22.4 mt-10 -73.48 -55.16 6.7 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.302 -0.874 . . . . 0.0 108.707 179.25 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . 0.481 ' O ' ' OD2' ' B' ' 63' ' ' ASP . 8.5 m -60.8 -27.02 67.7 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.025 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.723 HD13 ' HG3' ' B' ' 33' ' ' LYS . 10.5 mt -66.12 -54.02 30.67 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.521 -0.737 . . . . 0.0 109.126 179.36 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.29 -3.96 51.44 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.636 -0.665 . . . . 0.0 109.725 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 72.1 tt0 -80.0 -42.63 23.47 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.125 -0.985 . . . . 0.0 109.98 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.481 ' OD2' ' O ' ' B' ' 59' ' ' THR . 0.0 OUTLIER -94.53 -60.44 1.71 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.248 -0.907 . . . . 0.0 109.691 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . 0.519 ' HA2' ' HD3' ' B' ' 29' ' ' LYS . . . 44.37 25.99 0.89 Allowed Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.273 -1.531 . . . . 0.0 109.273 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' B' ' 63' ' ' ASP . 22.6 t0 -143.9 -7.53 0.74 Allowed 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.306 -1.114 . . . . 0.0 110.876 -179.112 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.472 ' O ' ' HG3' ' B' ' 29' ' ' LYS . . . -115.19 -164.14 14.27 Favored Glycine 0 N--CA 1.488 2.119 0 C-N-CA 119.697 -1.24 . . . . 0.0 110.307 -179.187 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.486 ' HA ' ' HA ' ' B' ' 28' ' ' LYS . 1.6 mp0 -121.34 155.24 35.17 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.38 -1.071 . . . . 0.0 109.494 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 14.8 m -100.03 165.31 11.59 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.157 -0.964 . . . . 0.0 109.568 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -102.01 -163.59 1.02 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.257 -0.902 . . . . 0.0 109.456 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.621 ' CZ ' ' CG ' ' B' ' 71' ' ' GLN . 10.3 p90 -92.5 -33.56 14.43 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.226 -0.921 . . . . 0.0 109.205 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.621 ' CG ' ' CZ ' ' B' ' 70' ' ' PHE . 0.1 OUTLIER -80.32 -23.57 40.52 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 178.672 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -78.2 -54.19 6.51 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.796 ' O ' HG23 ' B' ' 77' ' ' VAL . 0.0 OUTLIER -64.62 -19.35 65.64 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 179.312 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.836 ' CE ' HD13 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -78.22 -52.25 8.96 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.412 -0.805 . . . . 0.0 109.478 179.861 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.506 ' O ' ' HG3' ' B' ' 79' ' ' MET . . . -70.7 -17.3 62.83 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.19 -0.944 . . . . 0.0 108.927 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.648 ' O ' HG22 ' B' ' 80' ' ' VAL . 1.5 m-85 -80.3 -39.2 29.24 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.447 -0.783 . . . . 0.0 109.586 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.796 HG23 ' O ' ' B' ' 73' ' ' PHE . 59.9 t -71.47 -26.96 27.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.294 -0.879 . . . . 0.0 110.256 -179.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . 0.64 ' HA ' ' HE2' ' A' ' 7' ' ' MET . 3.7 m -77.85 -44.38 27.46 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.053 -1.03 . . . . 0.0 110.453 -179.263 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . 0.506 ' HG3' ' O ' ' B' ' 75' ' ' ALA . 1.9 mmm -57.51 -44.82 85.34 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.069 -1.02 . . . . 0.0 110.488 -179.276 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.725 HG21 HG21 ' B' ' 36' ' ' ILE . 2.6 m -70.04 -40.65 78.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.18 -0.95 . . . . 0.0 110.687 -178.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.626 HG21 ' HG3' ' A' ' 7' ' ' MET . 2.0 m -67.09 -8.6 31.86 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.825 -1.172 . . . . 0.0 109.266 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.576 ' HB ' ' CE2' ' A' ' 70' ' ' PHE . 10.3 p -117.18 -0.44 12.08 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.173 -0.955 . . . . 0.0 109.655 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.488 ' CB ' HG23 ' B' ' 53' ' ' VAL . . . -61.01 -64.04 1.09 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.122 -0.986 . . . . 0.0 109.716 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -50.58 132.1 25.45 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.327 -0.858 . . . . 0.0 109.492 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . 0.429 ' CG ' ' HD3' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -67.49 -47.21 70.71 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.273 -0.892 . . . . 0.0 109.43 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . 0.494 ' O ' ' CG ' ' B' ' 86' ' ' GLU . 1.5 pt-20 -75.3 100.72 4.47 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.298 -0.876 . . . . 0.0 109.475 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . 0.464 ' CE2' ' CE2' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -121.37 -11.56 8.74 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.202 -0.936 . . . . 0.0 109.508 179.88 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.618 ' HE1' HG23 ' A' ' 11' ' ' ILE . 11.9 m-85 -118.51 5.91 11.72 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.243 -0.911 . . . . 0.0 109.374 179.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -121.92 99.51 6.48 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.124 -0.985 . . . . 0.0 109.85 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . 0.432 ' ND1' ' O ' ' B' ' 90' ' ' HIS . 0.0 OUTLIER -119.16 71.44 0.86 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.214 -0.929 . . . . 0.0 109.789 179.703 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 117.944 -1.027 . . . . 0.0 109.417 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.52 ' CB ' ' OE1' ' B' ' 39' ' ' GLU . 0.9 OUTLIER -139.15 173.57 11.42 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.351 -0.843 . . . . 0.0 109.504 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.836 ' HB3' HG22 ' B' ' 13' ' ' VAL . 4.0 tp10 -78.45 -61.01 2.14 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.257 -0.902 . . . . 0.0 109.765 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.9 HD23 ' HB2' ' B' ' 39' ' ' GLU . 4.0 tp -62.59 -53.83 48.71 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.358 -0.839 . . . . 0.0 110.181 -179.626 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.532 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 2.6 tm-20 -48.22 -35.97 12.92 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.127 -0.983 . . . . 0.0 110.253 -178.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.553 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -80.15 -33.36 38.55 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.965 -1.084 . . . . 0.0 109.813 -179.661 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.593 ' CB ' ' HB3' ' B' ' 9' ' ' ALA . . . -80.8 -67.78 0.74 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.23 -0.919 . . . . 0.0 110.001 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.995 ' HE2' HG12 ' B' ' 77' ' ' VAL . 7.0 tpp -46.18 -51.49 14.06 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.413 -0.804 . . . . 0.0 109.864 -179.557 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.532 ' CG2' ' O ' ' A' ' 4' ' ' GLU . 21.5 t -64.04 -31.8 54.74 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.561 0 O-C-N 121.343 -0.848 . . . . 0.0 109.746 -179.254 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.588 ' HB3' ' CB ' ' B' ' 6' ' ' ALA . . . -65.29 -34.56 78.62 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.233 -0.917 . . . . 0.0 109.448 179.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.799 HD22 ' SD ' ' A' ' 74' ' ' MET . 0.6 OUTLIER -63.13 -62.58 1.61 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.368 -0.833 . . . . 0.0 109.173 179.81 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.616 HD11 ' O ' ' B' ' 81' ' ' THR . 52.8 mt -46.04 -28.61 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 O-C-N 121.333 -0.854 . . . . 0.0 108.752 179.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 13' ' ' VAL . 15.4 t0 -62.6 -51.85 65.68 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.507 -0.746 . . . . 0.0 109.04 179.455 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.809 HG22 ' HB3' ' B' ' 2' ' ' GLU . 36.4 t -45.53 -34.26 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.275 -0.891 . . . . 0.0 109.078 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.619 ' CD1' ' CE1' ' A' ' 73' ' ' PHE . 15.3 t80 -62.31 -49.74 74.42 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.297 -0.877 . . . . 0.0 109.096 179.695 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.521 ' O ' ' CG ' ' A' ' 15' ' ' HIS . 4.0 t-80 -75.77 -4.95 43.41 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.259 -0.9 . . . . 0.0 109.038 179.624 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.493 ' HB2' ' HA ' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -74.15 -37.53 64.0 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.21 -0.931 . . . . 0.0 109.662 -179.709 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.529 ' OH ' ' CD2' ' A' ' 35' ' ' LEU . 8.7 p90 -159.61 33.02 0.19 Allowed 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.203 -0.936 . . . . 0.0 109.287 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.536 ' HA ' ' CD1' ' A' ' 27' ' ' LEU . 0.4 OUTLIER -59.39 -39.09 82.27 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.29 -0.881 . . . . 0.0 109.414 -179.923 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.484 ' O ' ' C ' ' A' ' 20' ' ' ARG . . . 173.29 69.15 0.05 OUTLIER Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.484 ' C ' ' O ' ' A' ' 19' ' ' GLY . 10.8 mtm180 -35.94 -42.59 0.28 Allowed 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.709 -0.877 . . . . 0.0 110.183 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -125.68 -158.1 0.82 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.362 -0.836 . . . . 0.0 109.561 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.39 -128.31 45.91 Favored Glycine 0 N--CA 1.489 2.223 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -70.82 -173.04 0.72 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.187 -1.184 . . . . 0.0 109.363 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.469 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 1.2 tttt -132.4 128.95 38.65 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.263 -0.898 . . . . 0.0 109.736 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.551 ' NE2' ' HB3' ' B' ' 88' ' ' PHE . 25.6 m-70 61.81 27.61 16.87 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.344 -0.847 . . . . 0.0 110.006 179.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.469 ' HG2' ' O ' ' A' ' 24' ' ' LYS . 6.2 mmtt -122.56 125.67 46.18 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.25 -0.906 . . . . 0.0 109.433 179.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.536 ' CD1' ' HA ' ' A' ' 18' ' ' SER . 1.6 tp -96.89 -158.29 0.65 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.225 -0.922 . . . . 0.0 109.507 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -150.47 -173.2 4.39 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.077 -1.015 . . . . 0.0 109.771 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.477 ' HG3' ' HB2' ' A' ' 63' ' ' ASP . 14.5 mmtt -80.78 -29.41 36.15 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.237 -0.914 . . . . 0.0 109.651 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 29.6 p -80.67 -36.39 32.46 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.138 -0.976 . . . . 0.0 109.553 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.472 ' O ' ' HB2' ' A' ' 35' ' ' LEU . 2.5 tt0 -80.49 -24.86 39.15 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.151 -0.968 . . . . 0.0 108.821 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.783 HD13 ' HB2' ' A' ' 73' ' ' PHE . 50.6 tp -80.39 -42.14 23.34 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 179.177 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.534 ' HA ' HD13 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -60.63 -35.61 76.6 Favored 'General case' 0 N--CA 1.485 1.301 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.356 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.585 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 0.0 OUTLIER -80.32 -32.46 37.92 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 179.141 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.55 ' N ' ' HG3' ' A' ' 34' ' ' GLU . 0.1 OUTLIER -53.58 -48.42 69.22 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-O 121.727 0.775 . . . . 0.0 108.939 179.341 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.711 ' HA ' HD23 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -80.42 -54.35 10.86 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 O-C-N 121.595 -0.691 . . . . 0.0 110.582 -179.357 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -70.41 -0.69 8.75 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 120.827 -1.171 . . . . 0.0 112.015 -177.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.585 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 2.0 t30 -102.91 -33.0 9.48 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.525 -1.359 . . . . 0.0 110.553 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.892 ' HB2' HD23 ' B' ' 3' ' ' LEU . 3.7 mm-40 -114.52 -26.14 8.05 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.804 -1.185 . . . . 0.0 110.605 -179.044 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.711 HD23 ' HA ' ' A' ' 36' ' ' ILE . 1.2 mm? -79.41 -52.81 7.59 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 40' ' ' LEU . 26.6 t -39.25 97.23 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.462 0 CA-C-O 121.315 0.579 . . . . 0.0 109.869 179.629 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.456 ' N ' ' O ' ' A' ' 40' ' ' LEU . 8.2 t60 -179.59 -34.04 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.332 -0.855 . . . . 0.0 109.169 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.467 ' O ' ' HB2' ' A' ' 85' ' ' HIS . 0.0 OUTLIER -116.74 25.12 10.78 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.373 -0.829 . . . . 0.0 108.905 179.63 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.448 ' HG ' HD11 ' A' ' 47' ' ' ILE . 8.1 mp -97.72 115.53 28.16 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.295 -0.878 . . . . 0.0 109.56 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -125.91 -75.18 0.59 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.271 -0.893 . . . . 0.0 109.307 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.405 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 7.5 mt-10 -90.68 -45.58 8.78 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.311 -0.868 . . . . 0.0 109.498 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.448 HD11 ' HG ' ' A' ' 44' ' ' LEU . 10.2 mm 66.37 82.17 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.264 -0.898 . . . . 0.0 109.45 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.27 -34.04 72.32 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.213 -0.929 . . . . 0.0 109.628 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.944 ' OE1' HG23 ' A' ' 52' ' ' VAL . 13.4 mm-40 -85.96 61.74 7.02 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.117 -0.989 . . . . 0.0 109.215 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.472 ' O ' ' HB2' ' A' ' 54' ' ' ASP . 6.8 tt0 -55.89 -24.63 38.53 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.157 -0.964 . . . . 0.0 109.502 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.477 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 1.8 mt-10 -77.02 -32.39 57.05 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.167 -0.958 . . . . 0.0 109.7 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.944 HG23 ' OE1' ' A' ' 49' ' ' GLU . 78.4 t -69.49 -49.93 55.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.268 -0.895 . . . . 0.0 109.865 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 72.6 t -75.15 -30.52 23.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.264 -0.897 . . . . 0.0 109.438 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.472 ' HB2' ' O ' ' A' ' 50' ' ' GLN . 1.8 m-20 -79.78 -18.18 51.62 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.185 -0.947 . . . . 0.0 108.811 179.306 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.477 ' HB2' ' O ' ' A' ' 51' ' ' GLU . 7.3 tmtt? -78.47 -45.8 21.25 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.381 -0.824 . . . . 0.0 109.12 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.906 HG21 ' CG1' ' A' ' 80' ' ' VAL . 4.2 m -76.14 -38.74 35.02 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 O-C-N 121.137 -0.977 . . . . 0.0 108.892 179.435 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 47.5 tpp -68.92 -23.75 64.21 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.459 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 10.0 mt-10 -74.12 -56.88 4.4 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.377 -0.827 . . . . 0.0 109.112 179.585 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.5 m -60.32 -26.84 66.86 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.388 -0.968 . . . . 0.0 108.388 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.534 HD13 ' HA ' ' A' ' 33' ' ' LYS . 10.6 mt -67.38 -53.74 26.61 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-O 121.534 0.683 . . . . 0.0 109.438 179.606 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.83 -5.57 51.31 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.37 -0.831 . . . . 0.0 109.81 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -73.5 -57.59 3.9 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.191 -0.943 . . . . 0.0 109.692 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.477 ' HB2' ' HG3' ' A' ' 29' ' ' LYS . 0.8 OUTLIER -79.37 -64.16 1.25 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.347 -0.846 . . . . 0.0 109.454 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.444 ' O ' ' HB2' ' A' ' 29' ' ' LYS . . . 93.29 -51.74 2.44 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -125.6 32.05 5.4 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.347 -1.09 . . . . 0.0 109.356 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.92 162.9 30.34 Favored Glycine 0 N--CA 1.488 2.165 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -89.34 148.35 23.57 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.231 -1.158 . . . . 0.0 109.486 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.481 ' HB3' ' OE2' ' A' ' 72' ' ' GLU . 3.8 m -127.38 153.69 45.92 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.199 -0.938 . . . . 0.0 109.571 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -92.83 -178.0 4.7 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.25 -0.906 . . . . 0.0 109.122 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.611 ' CD2' HG22 ' B' ' 82' ' ' THR . 41.5 p90 -83.58 -28.04 28.83 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.19 -0.943 . . . . 0.0 109.962 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.61 ' HG3' ' CE2' ' A' ' 70' ' ' PHE . 3.9 mt-30 -80.12 -22.24 42.34 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.157 -0.964 . . . . 0.0 109.673 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.545 ' HG3' ' N ' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -80.41 -37.79 31.45 Favored 'General case' 0 C--N 1.307 -1.282 0 O-C-N 121.004 -1.06 . . . . 0.0 109.264 -179.738 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.791 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -78.85 -26.48 44.06 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 179.394 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.799 ' SD ' HD22 ' A' ' 10' ' ' LEU . 3.9 mmm -76.85 -45.72 27.31 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.494 ' O ' ' HG2' ' A' ' 79' ' ' MET . . . -70.66 -22.2 62.52 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 179.272 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.656 ' O ' HG22 ' A' ' 80' ' ' VAL . 1.5 m-85 -78.93 -36.87 41.11 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 179.487 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.954 HG12 ' HE2' ' B' ' 7' ' ' MET . 53.9 t -64.23 -26.09 39.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.579 -0.701 . . . . 0.0 109.498 179.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 79' ' ' MET . 0.1 OUTLIER -79.52 -66.14 0.91 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.331 -0.856 . . . . 0.0 110.324 -179.374 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.595 ' O ' HG11 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -43.52 -32.36 0.9 Allowed 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.168 -0.958 . . . . 0.0 110.241 -178.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.906 ' CG1' HG21 ' A' ' 56' ' ' VAL . 29.8 m -80.16 -46.04 22.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 120.991 -1.068 . . . . 0.0 110.14 -179.456 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.812 HG21 ' CG ' ' B' ' 7' ' ' MET . 0.6 OUTLIER -78.03 2.52 17.5 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.922 -1.111 . . . . 0.0 109.233 179.512 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.603 HG22 ' CD2' ' B' ' 70' ' ' PHE . 0.2 OUTLIER -135.94 5.77 3.1 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.332 -0.855 . . . . 0.0 109.464 -179.909 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.439 ' O ' ' HG3' ' A' ' 49' ' ' GLU . . . -49.15 -71.63 0.06 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.251 -0.906 . . . . 0.0 109.419 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 174.28 43.39 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.217 -0.927 . . . . 0.0 109.759 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.471 ' CD2' ' HB3' ' A' ' 87' ' ' PHE . 0.4 OUTLIER -77.16 -170.72 1.78 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.21 -0.931 . . . . 0.0 109.379 179.8 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' ' 86' ' ' GLU . 30.8 tt0 -95.35 55.11 1.69 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.108 -0.995 . . . . 0.0 109.465 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.689 ' CZ ' ' CE2' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -81.5 -172.32 3.77 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.257 -0.902 . . . . 0.0 110.192 -179.889 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.689 ' CE2' ' CZ ' ' A' ' 87' ' ' PHE . 22.9 m-30 55.12 28.18 10.57 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.264 -0.897 . . . . 0.0 109.501 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -111.35 -70.86 0.79 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.248 -0.908 . . . . 0.0 109.244 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -154.96 24.55 0.43 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.482 -0.762 . . . . 0.0 109.275 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 117.996 -1.002 . . . . 0.0 109.493 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . 0.513 ' CB ' ' OE1' ' A' ' 39' ' ' GLU . 0.9 OUTLIER -139.19 173.54 11.45 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.199 -0.938 . . . . 0.0 109.49 -179.937 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.809 ' HB3' HG22 ' A' ' 13' ' ' VAL . 4.0 tp10 -78.53 -60.9 2.19 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.402 -0.811 . . . . 0.0 109.782 -179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.892 HD23 ' HB2' ' A' ' 39' ' ' GLU . 4.0 tp -62.6 -53.92 47.42 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.418 -0.801 . . . . 0.0 110.039 -179.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.527 ' O ' ' CG2' ' B' ' 8' ' ' VAL . 2.6 tm-20 -48.21 -35.94 12.81 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 121.095 -1.003 . . . . 0.0 110.349 -178.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.546 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 0.0 OUTLIER -80.18 -33.39 38.37 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.861 -1.149 . . . . 0.0 109.797 -179.697 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.588 ' CB ' ' HB3' ' A' ' 9' ' ' ALA . . . -80.8 -67.78 0.74 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.357 -0.839 . . . . 0.0 110.0 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . 0.954 ' HE2' HG12 ' A' ' 77' ' ' VAL . 7.0 tpp -46.17 -51.58 13.88 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.309 -0.869 . . . . 0.0 109.8 -179.555 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.527 ' CG2' ' O ' ' B' ' 4' ' ' GLU . 21.5 t -63.92 -31.91 55.07 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.601 0 O-C-N 121.365 -0.835 . . . . 0.0 109.821 -179.301 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.593 ' HB3' ' CB ' ' A' ' 6' ' ' ALA . . . -65.31 -34.47 78.41 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.133 -0.98 . . . . 0.0 109.462 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.788 HD22 ' SD ' ' B' ' 74' ' ' MET . 0.6 OUTLIER -63.21 -62.52 1.64 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.445 -0.785 . . . . 0.0 109.095 179.816 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.608 HD11 ' O ' ' A' ' 81' ' ' THR . 53.7 mt -46.1 -28.57 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.434 0 O-C-N 121.359 -0.838 . . . . 0.0 108.761 179.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' B' ' 13' ' ' VAL . 15.4 t0 -62.65 -51.84 65.69 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.357 -0.839 . . . . 0.0 109.082 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.836 HG22 ' HB3' ' A' ' 2' ' ' GLU . 36.3 t -45.51 -34.36 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.283 -0.886 . . . . 0.0 109.043 179.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.615 ' CD1' ' CE1' ' B' ' 73' ' ' PHE . 15.3 t80 -62.15 -49.84 74.27 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.349 -0.845 . . . . 0.0 109.178 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . 0.525 ' CG ' ' O ' ' B' ' 15' ' ' HIS . 4.1 t-80 -75.61 -5.04 43.44 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.271 -0.893 . . . . 0.0 109.15 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.487 ' HB2' ' HA ' ' B' ' 13' ' ' VAL . 0.5 OUTLIER -73.98 -37.65 64.39 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.214 -0.929 . . . . 0.0 109.775 -179.727 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.53 ' OH ' ' CD2' ' B' ' 35' ' ' LEU . 8.7 p90 -159.57 32.97 0.19 Allowed 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.302 -0.874 . . . . 0.0 109.239 -179.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.54 ' HA ' ' CD1' ' B' ' 27' ' ' LEU . 0.4 OUTLIER -59.32 -39.04 81.83 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.449 -0.782 . . . . 0.0 109.399 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . 0.464 ' O ' ' C ' ' B' ' 20' ' ' ARG . . . 173.26 69.22 0.05 OUTLIER Glycine 0 N--CA 1.488 2.162 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.464 ' C ' ' O ' ' B' ' 19' ' ' GLY . 10.8 mtm180 -36.07 -42.56 0.3 Allowed 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.69 -0.888 . . . . 0.0 110.106 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -125.65 -157.99 0.82 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.282 -0.886 . . . . 0.0 109.496 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.26 -128.36 45.77 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -70.74 -173.12 0.72 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.2 -1.176 . . . . 0.0 109.379 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.475 ' O ' ' HG2' ' B' ' 26' ' ' LYS . 1.1 tttt -132.42 128.82 38.34 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.267 -0.896 . . . . 0.0 109.695 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . 0.521 ' NE2' ' HB3' ' A' ' 88' ' ' PHE . 25.8 m-70 61.82 27.59 16.85 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.371 -0.83 . . . . 0.0 110.106 179.569 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.475 ' HG2' ' O ' ' B' ' 24' ' ' LYS . 6.3 mmtt -122.64 125.79 46.33 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.245 -0.909 . . . . 0.0 109.376 179.64 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.54 ' CD1' ' HA ' ' B' ' 18' ' ' SER . 1.6 tp -96.87 -158.25 0.65 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.215 -0.928 . . . . 0.0 109.53 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -150.45 -173.15 4.37 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.11 -0.994 . . . . 0.0 109.767 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.47 ' HG3' ' CB ' ' B' ' 63' ' ' ASP . 14.5 mmtt -80.82 -29.4 35.95 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.14 -0.975 . . . . 0.0 109.705 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 29.8 p -80.63 -36.48 32.54 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.124 -0.985 . . . . 0.0 109.536 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.476 ' O ' ' HB2' ' B' ' 35' ' ' LEU . 2.5 tt0 -80.57 -24.84 38.93 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.076 -1.015 . . . . 0.0 108.769 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.783 HD13 ' HB2' ' B' ' 73' ' ' PHE . 50.8 tp -80.35 -42.23 23.29 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 179.16 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.521 ' HA ' HD13 ' B' ' 60' ' ' LEU . 0.4 OUTLIER -60.57 -35.68 76.66 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 179.3 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.579 ' O ' ' CB ' ' B' ' 38' ' ' ASN . 0.0 OUTLIER -80.34 -32.44 37.86 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 179.206 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.553 ' N ' ' HG3' ' B' ' 34' ' ' GLU . 0.1 OUTLIER -53.56 -48.47 69.11 Favored 'General case' 0 C--N 1.297 -1.682 0 CA-C-O 121.735 0.778 . . . . 0.0 108.906 179.335 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.723 ' HA ' HD23 ' B' ' 40' ' ' LEU . 0.3 OUTLIER -80.45 -54.35 10.83 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 O-C-N 121.567 -0.708 . . . . 0.0 110.507 -179.246 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -70.52 -0.65 8.91 Favored 'General case' 0 C--N 1.294 -1.841 0 O-C-N 120.72 -1.238 . . . . 0.0 111.946 -177.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.579 ' CB ' ' O ' ' B' ' 34' ' ' GLU . 2.0 t30 -102.94 -33.02 9.46 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.558 -1.339 . . . . 0.0 110.478 -179.666 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.9 ' HB2' HD23 ' A' ' 3' ' ' LEU . 3.7 mm-40 -114.57 -26.15 8.03 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.894 -1.129 . . . . 0.0 110.586 -179.015 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.723 HD23 ' HA ' ' B' ' 36' ' ' ILE . 1.2 mm? -79.42 -52.85 7.53 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 -179.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.446 ' C ' ' O ' ' B' ' 40' ' ' LEU . 26.8 t -39.2 97.18 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 CA-C-O 121.284 0.564 . . . . 0.0 109.9 179.627 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . 0.458 ' N ' ' O ' ' B' ' 40' ' ' LEU . 8.2 t60 -179.58 -34.03 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.406 -0.809 . . . . 0.0 109.105 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . 0.469 ' O ' ' HB2' ' B' ' 85' ' ' HIS . 0.0 OUTLIER -116.68 25.1 10.81 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.369 -0.832 . . . . 0.0 108.99 179.645 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.448 ' HG ' HD11 ' B' ' 47' ' ' ILE . 8.0 mp -97.7 115.56 28.2 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.406 -0.809 . . . . 0.0 109.539 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -125.89 -75.11 0.59 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.33 -0.856 . . . . 0.0 109.413 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.406 ' O ' ' HB ' ' B' ' 47' ' ' ILE . 7.5 mt-10 -90.69 -45.66 8.73 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.379 -0.826 . . . . 0.0 109.483 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.448 HD11 ' HG ' ' B' ' 44' ' ' LEU . 10.1 mm 66.39 82.28 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.23 -0.919 . . . . 0.0 109.433 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.4 -34.04 72.07 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.238 -0.914 . . . . 0.0 109.57 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.932 ' OE1' HG23 ' B' ' 52' ' ' VAL . 13.6 mm-40 -85.9 61.62 6.96 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.077 -1.014 . . . . 0.0 109.235 179.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . 0.474 ' O ' ' HB2' ' B' ' 54' ' ' ASP . 6.8 tt0 -55.84 -24.63 37.67 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.182 -0.949 . . . . 0.0 109.434 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.483 ' O ' ' HB2' ' B' ' 55' ' ' LYS . 1.8 mt-10 -76.96 -32.4 57.26 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.236 -0.915 . . . . 0.0 109.708 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.932 HG23 ' OE1' ' B' ' 49' ' ' GLU . 79.0 t -69.47 -50.0 54.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.214 -0.929 . . . . 0.0 109.882 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 72.7 t -75.16 -30.43 23.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.074 -1.017 . . . . 0.0 109.45 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . 0.474 ' HB2' ' O ' ' B' ' 50' ' ' GLN . 1.8 m-20 -79.93 -18.17 51.18 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.288 -0.883 . . . . 0.0 108.681 179.318 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.483 ' HB2' ' O ' ' B' ' 51' ' ' GLU . 7.4 tmtt? -78.4 -45.74 21.6 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.348 -0.845 . . . . 0.0 109.139 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.916 HG21 ' CG1' ' B' ' 80' ' ' VAL . 4.3 m -76.28 -38.61 33.73 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.364 0 O-C-N 121.155 -0.966 . . . . 0.0 108.887 179.445 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 47.4 tpp -69.03 -23.7 64.1 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 179.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . 0.45 ' HB2' ' O ' ' B' ' 54' ' ' ASP . 10.1 mt-10 -74.09 -56.95 4.31 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.44 -0.787 . . . . 0.0 109.092 179.559 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 94.3 m -60.24 -26.81 66.72 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.132 -0.98 . . . . 0.0 108.399 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.521 HD13 ' HA ' ' B' ' 33' ' ' LYS . 10.5 mt -67.57 -53.59 27.01 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.631 -0.668 . . . . 0.0 109.486 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.94 -5.49 51.31 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.494 -0.754 . . . . 0.0 109.724 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -73.5 -57.69 3.83 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.2 -0.938 . . . . 0.0 109.618 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.47 ' CB ' ' HG3' ' B' ' 29' ' ' LYS . 0.8 OUTLIER -79.31 -64.17 1.25 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.358 -0.839 . . . . 0.0 109.489 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . 0.45 ' O ' ' HB2' ' B' ' 29' ' ' LYS . . . 93.31 -51.83 2.44 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.549 -1.421 . . . . 0.0 109.549 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -125.53 31.92 5.44 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.354 -1.086 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.82 162.89 30.46 Favored Glycine 0 N--CA 1.489 2.183 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -89.28 148.27 23.66 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.363 -1.081 . . . . 0.0 109.509 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.481 ' HB3' ' OE2' ' B' ' 72' ' ' GLU . 3.8 m -127.34 153.74 45.82 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.165 -0.959 . . . . 0.0 109.556 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -92.83 -177.97 4.69 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.351 -0.843 . . . . 0.0 109.089 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.603 ' CD2' HG22 ' A' ' 82' ' ' THR . 41.7 p90 -83.71 -28.05 28.55 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.08 -1.013 . . . . 0.0 109.805 -179.59 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.602 ' HG3' ' CE2' ' B' ' 70' ' ' PHE . 3.9 mt-30 -80.09 -22.14 42.55 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.048 -1.033 . . . . 0.0 109.705 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.55 ' HG3' ' N ' ' B' ' 73' ' ' PHE . 0.0 OUTLIER -80.47 -37.87 31.03 Favored 'General case' 0 C--N 1.306 -1.29 0 O-C-N 120.946 -1.096 . . . . 0.0 109.263 -179.755 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.79 ' O ' HG23 ' B' ' 77' ' ' VAL . 0.0 OUTLIER -78.78 -26.55 44.44 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 179.4 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.788 ' SD ' HD22 ' B' ' 10' ' ' LEU . 3.9 mmm -76.82 -45.76 27.39 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.59 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.497 ' O ' ' HG2' ' B' ' 79' ' ' MET . . . -70.62 -22.2 62.55 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 179.321 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.65 ' O ' HG22 ' B' ' 80' ' ' VAL . 1.5 m-85 -78.92 -36.95 41.06 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 179.493 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.995 HG12 ' HE2' ' A' ' 7' ' ' MET . 54.0 t -64.14 -26.13 39.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.633 -0.667 . . . . 0.0 109.418 179.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . 0.402 ' HA ' ' HE3' ' A' ' 7' ' ' MET . 0.1 OUTLIER -79.58 -66.11 0.92 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.198 -0.939 . . . . 0.0 110.399 -179.376 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . 0.594 ' O ' HG11 ' B' ' 52' ' ' VAL . 0.0 OUTLIER -43.55 -32.22 0.88 Allowed 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.191 -0.943 . . . . 0.0 110.262 -178.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.916 ' CG1' HG21 ' B' ' 56' ' ' VAL . 29.9 m -80.16 -46.17 22.09 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.04 -1.037 . . . . 0.0 110.134 -179.46 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.814 HG21 ' CG ' ' A' ' 7' ' ' MET . 0.6 OUTLIER -77.93 2.35 17.72 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.108 -0.995 . . . . 0.0 109.132 179.554 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.611 HG22 ' CD2' ' A' ' 70' ' ' PHE . 0.2 OUTLIER -135.86 5.86 3.12 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.31 -0.869 . . . . 0.0 109.462 -179.85 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.445 ' O ' ' HG3' ' B' ' 49' ' ' GLU . . . -49.24 -71.6 0.06 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.265 -0.897 . . . . 0.0 109.52 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 174.31 43.38 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.245 -0.909 . . . . 0.0 109.676 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . 0.484 ' CD2' ' HB3' ' B' ' 87' ' ' PHE . 0.4 OUTLIER -77.2 -170.74 1.8 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.162 -0.961 . . . . 0.0 109.282 179.832 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' B' ' 86' ' ' GLU . 30.8 tt0 -95.43 55.22 1.69 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.24 -0.913 . . . . 0.0 109.389 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . 0.686 ' CZ ' ' CE2' ' B' ' 88' ' ' PHE . 0.0 OUTLIER -81.63 -172.26 3.77 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.35 -0.844 . . . . 0.0 110.158 -179.894 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.686 ' CE2' ' CZ ' ' B' ' 87' ' ' PHE . 22.8 m-30 55.12 28.05 10.38 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.224 -0.922 . . . . 0.0 109.546 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -111.26 -70.91 0.79 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.353 -0.842 . . . . 0.0 109.248 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -154.85 24.53 0.44 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.506 -0.747 . . . . 0.0 109.294 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 118.027 -0.987 . . . . 0.0 109.539 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 24.0 ttt . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.88 159.46 38.53 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.375 -0.828 . . . . 0.0 109.479 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.572 ' HB3' ' CG2' ' B' ' 13' ' ' VAL . 1.3 tp10 -79.62 -29.79 41.18 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.239 -0.913 . . . . 0.0 109.74 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.837 HD13 HG11 ' B' ' 13' ' ' VAL . 5.3 tp -73.99 -42.01 61.06 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.199 -0.938 . . . . 0.0 109.841 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.628 ' O ' HG23 ' A' ' 8' ' ' VAL . 2.3 tm-20 -73.09 -51.64 17.27 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.294 -0.879 . . . . 0.0 110.046 -179.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.661 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -66.43 -31.15 71.73 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.035 -1.041 . . . . 0.0 110.37 -179.416 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.53 ' CB ' ' O ' ' A' ' 2' ' ' GLU . . . -80.31 -63.25 1.45 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.084 -1.01 . . . . 0.0 110.365 -179.318 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.539 ' CG ' HG21 ' B' ' 81' ' ' THR . 14.3 tpp -53.49 -52.66 58.84 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.153 -0.967 . . . . 0.0 109.819 -179.283 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 4' ' ' GLU . 10.8 t -61.8 -28.08 43.52 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.597 0 O-C-N 121.262 -0.899 . . . . 0.0 109.464 -179.499 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.661 ' HB2' ' O ' ' A' ' 5' ' ' LYS . . . -65.96 -39.1 90.12 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.142 -0.974 . . . . 0.0 108.921 179.339 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.739 HD22 ' HE2' ' A' ' 74' ' ' MET . 0.1 OUTLIER -59.53 -28.36 67.02 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.344 -0.847 . . . . 0.0 109.017 179.783 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.527 ' CD1' ' N ' ' A' ' 11' ' ' ILE . 1.3 mp -70.88 -31.8 46.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 179.167 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.462 ' HB3' ' HG2' ' B' ' 2' ' ' GLU . 10.8 t70 -64.35 -57.89 8.04 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.479 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.863 HG11 HD13 ' B' ' 3' ' ' LEU . 0.5 OUTLIER -55.95 -56.83 10.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 179.417 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.649 ' N ' HG12 ' A' ' 13' ' ' VAL . 40.0 t80 -43.1 -34.42 1.06 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.592 -0.692 . . . . 0.0 109.951 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 26.2 t-80 -73.7 -49.07 27.51 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.114 -0.992 . . . . 0.0 109.319 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.79 -34.83 41.62 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.444 -0.785 . . . . 0.0 109.396 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.631 ' CD2' HD21 ' A' ' 35' ' ' LEU . 51.6 m-85 -81.84 -35.08 29.77 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.441 -0.787 . . . . 0.0 109.78 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.493 ' HB3' ' O ' ' A' ' 24' ' ' LYS . 0.5 OUTLIER -93.39 25.52 3.37 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.236 -0.915 . . . . 0.0 109.602 -179.643 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -113.11 4.49 25.43 Favored Glycine 0 N--CA 1.487 2.065 0 N-CA-C 109.67 -1.372 . . . . 0.0 109.67 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.445 ' O ' ' O ' ' A' ' 21' ' ' GLU . 32.6 mtt180 -87.05 91.21 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.197 -1.178 . . . . 0.0 109.759 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.445 ' O ' ' O ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER 41.3 -163.19 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.24 -0.912 . . . . 0.0 109.84 179.799 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.6 -162.39 53.57 Favored Glycine 0 N--CA 1.489 2.202 0 N-CA-C 109.395 -1.482 . . . . 0.0 109.395 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.517 ' O ' ' HB2' ' A' ' 24' ' ' LYS . 2.3 m-20 -57.55 -95.59 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.172 -1.193 . . . . 0.0 109.405 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.517 ' HB2' ' O ' ' A' ' 23' ' ' ASP . 4.3 tppt? 172.43 -24.17 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.365 -0.834 . . . . 0.0 109.687 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 2.6 m80 -132.79 49.55 2.31 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.064 -1.023 . . . . 0.0 109.446 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.491 ' O ' ' CD ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -143.77 122.88 12.89 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.128 -0.983 . . . . 0.0 109.656 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.7 mt -98.31 -161.37 0.87 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.227 -0.921 . . . . 0.0 109.222 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.463 ' O ' ' CB ' ' A' ' 32' ' ' LEU . 33.4 mtpt -141.96 -174.5 4.1 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.125 -0.984 . . . . 0.0 109.458 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.5 mmtp -89.19 -25.76 21.61 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.164 -0.96 . . . . 0.0 109.308 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 29.3 p -80.4 -46.04 16.67 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.331 -0.856 . . . . 0.0 109.472 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.465 ' O ' ' HB2' ' A' ' 35' ' ' LEU . 14.1 tt0 -74.81 -22.94 58.44 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 179.554 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.662 HD13 ' HD1' ' A' ' 73' ' ' PHE . 16.6 tp -77.62 -44.21 29.03 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 178.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.704 ' HG3' HD13 ' A' ' 60' ' ' LEU . 38.9 tttm -57.08 -41.67 79.24 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 179.159 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.545 ' HG3' ' N ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -74.77 -32.9 62.18 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 179.484 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.848 ' CD1' HD22 ' B' ' 3' ' ' LEU . 0.1 OUTLIER -56.24 -42.89 78.07 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-O 121.245 0.545 . . . . 0.0 109.738 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.957 ' CG2' HG21 ' A' ' 80' ' ' VAL . 0.3 OUTLIER -81.16 -48.98 18.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.357 -0.839 . . . . 0.0 110.46 -179.37 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.485 ' HA ' ' HB2' ' A' ' 41' ' ' SER . 50.5 t-20 -77.33 0.5 22.06 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.959 -1.088 . . . . 0.0 111.384 -178.329 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.528 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 10.1 t30 -113.35 -72.74 0.69 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.746 -1.222 . . . . 0.0 110.194 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.525 ' HB3' ' HB3' ' B' ' 3' ' ' LEU . 87.7 mt-10 -85.14 12.5 7.73 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.112 -0.993 . . . . 0.0 109.848 -179.444 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.662 HD23 HD23 ' B' ' 3' ' ' LEU . 0.2 OUTLIER -128.73 -32.31 2.13 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.315 -0.866 . . . . 0.0 109.318 179.845 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.485 ' HB2' ' HA ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -71.74 81.54 0.87 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.357 -0.839 . . . . 0.0 109.67 179.703 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -124.88 -12.55 7.04 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.157 -0.964 . . . . 0.0 109.284 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.813 ' HZ ' HG23 ' A' ' 81' ' ' THR . 5.0 p90 -138.53 27.81 2.49 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.242 -0.911 . . . . 0.0 109.06 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.796 HD21 HD11 ' A' ' 47' ' ' ILE . 1.5 tt -99.24 145.01 27.7 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.355 -0.84 . . . . 0.0 109.536 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -170.72 -33.71 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.275 -0.891 . . . . 0.0 109.783 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.463 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 0.2 OUTLIER -125.71 -37.49 2.31 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.134 -0.979 . . . . 0.0 108.711 179.825 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.796 HD11 HD21 ' A' ' 44' ' ' LEU . 66.9 mt 64.0 112.27 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.155 -0.965 . . . . 0.0 109.415 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.487 ' HB3' ' O ' ' A' ' 84' ' ' CYS . 22.6 tptm -89.71 -44.86 9.73 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.197 -0.939 . . . . 0.0 109.477 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.558 ' OE1' HG23 ' A' ' 52' ' ' VAL . 12.3 mm-40 -79.46 77.66 6.01 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.065 -1.022 . . . . 0.0 109.311 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.544 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 6.4 tt0 -60.72 -22.63 64.18 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.259 -0.9 . . . . 0.0 109.544 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.469 ' O ' ' HE2' ' A' ' 55' ' ' LYS . 3.9 mt-10 -80.15 -36.18 35.51 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.26 -0.9 . . . . 0.0 109.955 -179.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.558 HG23 ' OE1' ' A' ' 49' ' ' GLU . 90.9 t -72.76 -43.9 60.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.189 -0.944 . . . . 0.0 109.83 -179.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.653 HG23 ' HB1' ' A' ' 83' ' ' ALA . 45.7 t -77.27 -26.32 15.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.138 -0.976 . . . . 0.0 109.13 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.544 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 15.2 t70 -77.73 -27.64 50.61 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.319 -0.863 . . . . 0.0 109.516 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.546 ' HG3' ' N ' ' A' ' 56' ' ' VAL . 1.6 ptpt -80.44 -44.8 18.67 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.071 -1.018 . . . . 0.0 109.768 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.6 HG21 ' CG1' ' A' ' 80' ' ' VAL . 35.5 m -73.79 -46.25 47.6 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.306 0 O-C-N 120.969 -1.082 . . . . 0.0 108.59 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.576 ' N ' HG23 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -62.97 -25.11 68.22 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 179.128 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.478 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 17.3 mt-10 -75.06 -56.66 4.52 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.303 -0.873 . . . . 0.0 108.867 179.509 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -56.42 -26.26 52.89 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 179.127 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.704 HD13 ' HG3' ' A' ' 33' ' ' LYS . 11.0 mt -68.71 -57.12 6.12 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.7 1.57 29.59 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.441 -0.787 . . . . 0.0 109.781 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -80.36 -51.68 8.58 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.172 -0.955 . . . . 0.0 109.792 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.76 -60.38 1.83 Allowed 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.321 -0.862 . . . . 0.0 109.603 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.07 -53.04 4.61 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.454 -1.459 . . . . 0.0 109.454 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -108.42 32.8 4.55 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.203 -1.175 . . . . 0.0 109.425 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.95 -179.57 44.42 Favored Glycine 0 N--CA 1.488 2.158 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.43 ' HA ' ' HA ' ' A' ' 28' ' ' LYS . 0.8 OUTLIER -122.62 129.47 51.91 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.186 -1.185 . . . . 0.0 109.594 -179.88 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.616 ' SG ' HD22 ' A' ' 32' ' ' LEU . 1.3 m -97.04 153.15 18.1 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.283 -0.886 . . . . 0.0 109.242 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -89.83 -161.82 0.82 Allowed 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.288 -0.883 . . . . 0.0 109.249 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -91.72 -44.97 8.69 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.074 -1.016 . . . . 0.0 109.116 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.865 ' HB3' HG21 ' B' ' 82' ' ' THR . 0.0 OUTLIER -75.53 -20.67 58.55 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.246 -0.909 . . . . 0.0 109.012 179.567 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.497 ' N ' ' HG3' ' A' ' 71' ' ' GLN . 0.7 OUTLIER -76.78 -55.89 5.09 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.431 -0.793 . . . . 0.0 109.162 179.729 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.662 ' HD1' HD13 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -60.78 -22.3 63.96 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.256 -0.902 . . . . 0.0 108.97 179.618 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.739 ' HE2' HD22 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -79.06 -51.55 9.42 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.334 -0.854 . . . . 0.0 109.734 -179.789 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.485 ' O ' ' HG3' ' A' ' 79' ' ' MET . . . -69.07 -14.54 63.08 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.355 -0.841 . . . . 0.0 109.184 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.453 ' O ' HG22 ' A' ' 80' ' ' VAL . 0.1 OUTLIER -79.9 -33.91 39.5 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.364 -0.835 . . . . 0.0 109.368 179.817 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.625 HG13 ' HG ' ' A' ' 40' ' ' LEU . 59.4 t -74.7 -26.85 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.38 -0.825 . . . . 0.0 109.552 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 52.9 m -77.66 -37.78 49.11 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.216 -0.928 . . . . 0.0 110.642 -179.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.485 ' HG3' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -66.86 -33.73 76.25 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.982 -1.074 . . . . 0.0 110.503 -179.047 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.957 HG21 ' CG2' ' A' ' 36' ' ' ILE . 6.7 m -80.32 -39.26 18.81 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 120.974 -1.078 . . . . 0.0 109.895 -179.494 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.813 HG23 ' HZ ' ' A' ' 43' ' ' PHE . 3.1 m -62.03 -15.47 44.68 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.007 -1.058 . . . . 0.0 108.65 179.195 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.904 HG21 ' HB3' ' B' ' 71' ' ' GLN . 87.3 m -103.91 -15.65 15.59 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.568 -0.707 . . . . 0.0 109.386 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.653 ' HB1' HG23 ' A' ' 53' ' ' VAL . . . -91.22 57.13 3.32 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.391 -0.818 . . . . 0.0 109.822 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.487 ' O ' ' HB3' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -119.12 -167.03 1.32 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.255 -0.903 . . . . 0.0 109.216 179.623 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.468 ' NE2' ' N ' ' A' ' 89' ' ' GLU . 1.7 p-80 -53.43 -172.37 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.215 -0.928 . . . . 0.0 109.372 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 85' ' ' HIS . 0.4 OUTLIER -44.79 100.27 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.192 -0.943 . . . . 0.0 109.392 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.429 ' N ' ' O ' ' A' ' 85' ' ' HIS . 1.8 t80 58.33 -147.88 0.49 Allowed 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.281 -0.887 . . . . 0.0 109.501 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.544 ' HD2' HG23 ' B' ' 11' ' ' ILE . 0.4 OUTLIER -110.11 56.49 0.63 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.192 -0.942 . . . . 0.0 109.236 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.468 ' N ' ' NE2' ' A' ' 85' ' ' HIS . 6.0 tt0 -65.76 94.42 0.21 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.153 -0.967 . . . . 0.0 109.459 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -104.2 -26.91 12.34 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.43 -0.793 . . . . 0.0 109.278 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 118.018 -0.991 . . . . 0.0 109.482 -179.979 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 24.0 ttt . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 121.332 0.586 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.83 159.48 38.42 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.301 -0.874 . . . . 0.0 109.463 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.556 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . 1.3 tp10 -79.65 -29.82 41.05 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.257 -0.902 . . . . 0.0 109.743 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.863 HD13 HG11 ' A' ' 13' ' ' VAL . 5.3 tp -74.05 -41.73 61.32 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.283 -0.885 . . . . 0.0 109.755 -179.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.632 ' O ' HG23 ' B' ' 8' ' ' VAL . 2.3 tm-20 -73.32 -51.53 17.17 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.245 -0.91 . . . . 0.0 110.01 -179.369 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.654 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 0.0 OUTLIER -66.62 -31.11 71.59 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.073 -1.017 . . . . 0.0 110.224 -179.315 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.539 ' CB ' ' HB3' ' A' ' 9' ' ' ALA . . . -80.33 -63.29 1.44 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.188 -0.945 . . . . 0.0 110.348 -179.237 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . 0.51 ' CG ' HG21 ' A' ' 81' ' ' THR . 14.4 tpp -53.46 -52.72 58.59 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.252 -0.905 . . . . 0.0 109.829 -179.291 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.632 HG23 ' O ' ' B' ' 4' ' ' GLU . 10.7 t -61.64 -28.21 43.66 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.534 0 O-C-N 121.238 -0.914 . . . . 0.0 109.489 -179.629 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.654 ' HB2' ' O ' ' B' ' 5' ' ' LYS . . . -65.93 -39.16 90.26 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.212 -0.93 . . . . 0.0 108.991 179.368 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.694 HD22 ' HE2' ' B' ' 74' ' ' MET . 0.1 OUTLIER -59.38 -28.43 66.88 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.349 -0.844 . . . . 0.0 108.923 179.811 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.544 HG23 ' HD2' ' A' ' 88' ' ' PHE . 1.2 mp -70.81 -31.93 47.31 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 179.177 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.428 ' HB3' ' HG2' ' A' ' 2' ' ' GLU . 10.8 t70 -64.38 -57.77 8.38 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.458 -0.776 . . . . 0.0 108.977 179.46 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.837 HG11 HD13 ' A' ' 3' ' ' LEU . 0.5 OUTLIER -56.0 -56.9 10.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 179.397 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.646 ' N ' HG12 ' B' ' 13' ' ' VAL . 40.0 t80 -43.12 -34.36 1.06 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.592 -0.693 . . . . 0.0 109.867 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 26.1 t-80 -73.79 -49.02 27.3 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.191 -0.943 . . . . 0.0 109.398 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.77 -34.88 41.61 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.452 -0.78 . . . . 0.0 109.518 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.627 ' CE2' HD21 ' B' ' 35' ' ' LEU . 51.5 m-85 -81.81 -35.16 29.79 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.456 -0.777 . . . . 0.0 109.7 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.492 ' HB3' ' O ' ' B' ' 24' ' ' LYS . 0.5 OUTLIER -93.29 25.45 3.35 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.331 -0.856 . . . . 0.0 109.662 -179.67 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -113.12 4.57 25.42 Favored Glycine 0 N--CA 1.489 2.179 0 N-CA-C 109.715 -1.354 . . . . 0.0 109.715 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.453 ' O ' ' O ' ' B' ' 21' ' ' GLU . 32.4 mtt180 -87.03 91.22 8.63 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.174 -1.191 . . . . 0.0 109.722 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.453 ' O ' ' O ' ' B' ' 20' ' ' ARG . 0.2 OUTLIER 41.23 -163.32 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.447 -0.783 . . . . 0.0 109.802 179.767 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.7 -162.52 53.69 Favored Glycine 0 N--CA 1.49 2.233 0 N-CA-C 109.346 -1.502 . . . . 0.0 109.346 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.528 ' O ' ' HB2' ' B' ' 24' ' ' LYS . 2.3 m-20 -57.46 -95.66 0.0 OUTLIER 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.24 -1.153 . . . . 0.0 109.402 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.528 ' HB2' ' O ' ' B' ' 23' ' ' ASP . 4.3 tppt? 172.38 -24.02 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.465 -0.772 . . . . 0.0 109.638 179.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -132.93 49.42 2.32 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.012 -1.055 . . . . 0.0 109.493 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.484 ' O ' ' CD ' ' B' ' 26' ' ' LYS . 0.0 OUTLIER -143.77 122.92 12.91 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.226 -0.921 . . . . 0.0 109.727 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.8 mt -98.34 -161.54 0.88 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.359 -0.838 . . . . 0.0 109.28 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.466 ' O ' ' CB ' ' B' ' 32' ' ' LEU . 33.6 mtpt -141.81 -174.4 4.06 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.166 -0.959 . . . . 0.0 109.587 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 2.5 mmtp -89.29 -25.72 21.53 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.035 -1.041 . . . . 0.0 109.248 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 29.1 p -80.58 -46.0 16.44 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.284 -0.885 . . . . 0.0 109.45 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.465 ' O ' ' HB2' ' B' ' 35' ' ' LEU . 14.0 tt0 -74.89 -22.95 58.34 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.53 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.662 HD13 ' HD1' ' B' ' 73' ' ' PHE . 16.8 tp -77.55 -44.23 29.25 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 178.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.701 ' HG3' HD13 ' B' ' 60' ' ' LEU . 38.8 tttm -57.19 -41.67 79.8 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 179.173 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.548 ' HG3' ' N ' ' B' ' 35' ' ' LEU . 0.0 OUTLIER -74.76 -32.92 62.2 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.596 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.835 ' CD1' HD22 ' A' ' 3' ' ' LEU . 0.1 OUTLIER -56.4 -42.86 78.66 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.818 -0.552 . . . . 0.0 109.623 -179.907 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.96 ' CG2' HG21 ' B' ' 80' ' ' VAL . 0.3 OUTLIER -81.07 -48.99 18.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.387 -0.821 . . . . 0.0 110.542 -179.425 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.474 ' HA ' ' HB2' ' B' ' 41' ' ' SER . 50.3 t-20 -77.38 0.42 22.49 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.038 -1.039 . . . . 0.0 111.266 -178.317 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.537 ' CB ' ' O ' ' B' ' 34' ' ' GLU . 10.0 t30 -113.26 -72.93 0.68 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.636 -1.29 . . . . 0.0 110.235 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.49 ' HB3' ' HB3' ' A' ' 3' ' ' LEU . 87.7 mt-10 -85.04 12.54 7.48 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.162 -0.962 . . . . 0.0 109.856 -179.443 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.697 HD23 ' CD2' ' A' ' 3' ' ' LEU . 0.2 OUTLIER -128.85 -32.32 2.11 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.231 -0.918 . . . . 0.0 109.227 179.868 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.474 ' HB2' ' HA ' ' B' ' 37' ' ' ASN . 0.2 OUTLIER -71.85 81.6 0.9 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.346 -0.846 . . . . 0.0 109.61 179.784 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 7.6 t-80 -124.83 -12.48 7.07 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.172 -0.955 . . . . 0.0 109.226 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . 0.813 ' HZ ' HG23 ' B' ' 81' ' ' THR . 5.0 p90 -138.55 27.8 2.49 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.228 -0.92 . . . . 0.0 109.066 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.8 HD21 HD11 ' B' ' 47' ' ' ILE . 1.5 tt -99.23 145.16 27.54 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.325 -0.86 . . . . 0.0 109.614 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -170.81 -33.87 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.329 -0.857 . . . . 0.0 109.819 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.46 ' O ' ' HB ' ' B' ' 47' ' ' ILE . 0.3 OUTLIER -125.73 -37.49 2.31 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.133 -0.979 . . . . 0.0 108.707 179.896 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.8 HD11 HD21 ' B' ' 44' ' ' LEU . 67.2 mt 63.9 112.43 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.263 -0.898 . . . . 0.0 109.388 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.493 ' HB3' ' O ' ' B' ' 84' ' ' CYS . 22.5 tptm -89.78 -44.86 9.69 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.155 -0.965 . . . . 0.0 109.459 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.563 ' OE1' HG23 ' B' ' 52' ' ' VAL . 12.3 mm-40 -79.44 77.67 5.99 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.199 -0.938 . . . . 0.0 109.324 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . 0.538 ' O ' ' CB ' ' B' ' 54' ' ' ASP . 6.4 tt0 -60.79 -22.56 64.24 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.307 -0.87 . . . . 0.0 109.577 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.477 ' O ' ' HE2' ' B' ' 55' ' ' LYS . 3.9 mt-10 -80.13 -36.19 35.63 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.292 -0.88 . . . . 0.0 109.938 -179.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.563 HG23 ' OE1' ' B' ' 49' ' ' GLU . 91.7 t -72.75 -43.91 60.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.053 -1.03 . . . . 0.0 109.847 -179.57 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.644 HG23 ' HB1' ' B' ' 83' ' ' ALA . 45.4 t -77.47 -26.08 15.18 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.51 0 O-C-N 121.083 -1.011 . . . . 0.0 109.179 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . 0.538 ' CB ' ' O ' ' B' ' 50' ' ' GLN . 15.1 t70 -77.82 -27.65 50.04 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.41 -0.806 . . . . 0.0 109.409 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.539 ' HG3' ' N ' ' B' ' 56' ' ' VAL . 1.6 ptpt -80.38 -44.85 18.71 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.117 -0.989 . . . . 0.0 109.879 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.601 HG21 ' CG1' ' B' ' 80' ' ' VAL . 35.5 m -73.79 -46.19 47.77 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 O-C-N 120.79 -1.194 . . . . 0.0 108.651 179.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.584 ' N ' HG23 ' B' ' 56' ' ' VAL . 0.0 OUTLIER -62.99 -25.18 68.26 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.091 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . 0.471 ' CG ' ' O ' ' B' ' 54' ' ' ASP . 17.2 mt-10 -74.95 -56.58 4.61 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.298 -0.876 . . . . 0.0 108.847 179.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -56.62 -26.18 55.13 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 179.152 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.701 HD13 ' HG3' ' B' ' 33' ' ' LYS . 10.9 mt -68.72 -57.07 6.18 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.84 1.71 29.51 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.512 -0.742 . . . . 0.0 109.734 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -80.38 -51.65 8.6 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.208 -0.933 . . . . 0.0 109.717 -179.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.88 -60.34 1.83 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.338 -0.851 . . . . 0.0 109.663 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.17 -53.23 4.61 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -108.26 32.68 4.61 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.126 -1.22 . . . . 0.0 109.404 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.82 -179.58 44.6 Favored Glycine 0 N--CA 1.489 2.173 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.432 ' HA ' ' HA ' ' B' ' 28' ' ' LYS . 0.8 OUTLIER -122.58 129.61 52.11 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.231 -1.158 . . . . 0.0 109.589 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.618 ' SG ' HD22 ' B' ' 32' ' ' LEU . 1.3 m -97.15 153.21 18.12 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.348 -0.845 . . . . 0.0 109.246 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -89.86 -161.81 0.82 Allowed 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.277 -0.889 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -91.73 -45.01 8.66 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.234 -0.916 . . . . 0.0 109.013 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.904 ' HB3' HG21 ' A' ' 82' ' ' THR . 0.0 OUTLIER -75.54 -20.57 58.58 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.194 -0.941 . . . . 0.0 109.061 179.647 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.488 ' N ' ' HG3' ' B' ' 71' ' ' GLN . 0.7 OUTLIER -76.83 -55.82 5.14 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.48 -0.763 . . . . 0.0 109.23 179.658 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.662 ' HD1' HD13 ' B' ' 32' ' ' LEU . 0.1 OUTLIER -60.86 -22.31 64.12 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.319 -0.863 . . . . 0.0 108.891 179.602 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.694 ' HE2' HD22 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -79.1 -51.6 9.33 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.246 -0.909 . . . . 0.0 109.676 -179.772 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.471 ' O ' ' HG3' ' B' ' 79' ' ' MET . . . -68.98 -14.64 63.16 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.294 -0.879 . . . . 0.0 109.177 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.458 ' O ' HG22 ' B' ' 80' ' ' VAL . 0.1 OUTLIER -79.77 -34.02 40.13 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.433 -0.792 . . . . 0.0 109.408 179.866 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.623 HG13 ' HG ' ' B' ' 40' ' ' LEU . 59.0 t -74.61 -26.94 20.35 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.475 0 O-C-N 121.394 -0.816 . . . . 0.0 109.475 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . 0.441 ' HA ' ' CE ' ' A' ' 7' ' ' MET . 53.0 m -77.62 -37.99 48.97 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.289 -0.882 . . . . 0.0 110.623 -179.315 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . 0.471 ' HG3' ' O ' ' B' ' 75' ' ' ALA . 0.0 OUTLIER -66.7 -33.76 76.36 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.96 -1.087 . . . . 0.0 110.559 -179.097 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.96 HG21 ' CG2' ' B' ' 36' ' ' ILE . 6.6 m -80.2 -39.45 19.22 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 O-C-N 121.052 -1.03 . . . . 0.0 109.855 -179.453 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.813 HG23 ' HZ ' ' B' ' 43' ' ' PHE . 3.2 m -62.03 -15.45 44.5 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.107 -0.996 . . . . 0.0 108.526 179.336 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.865 HG21 ' HB3' ' A' ' 71' ' ' GLN . 87.0 m -103.93 -15.61 15.59 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.548 -0.72 . . . . 0.0 109.393 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.644 ' HB1' HG23 ' B' ' 53' ' ' VAL . . . -91.37 57.23 3.29 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.346 -0.846 . . . . 0.0 109.819 -179.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . 0.493 ' O ' ' HB3' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -119.21 -167.15 1.35 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.207 -0.933 . . . . 0.0 109.149 179.599 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . 0.458 ' O ' ' O ' ' B' ' 84' ' ' CYS . 1.7 p-80 -53.32 -172.45 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.188 -0.945 . . . . 0.0 109.447 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' B' ' 85' ' ' HIS . 0.4 OUTLIER -44.66 100.3 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.201 -0.937 . . . . 0.0 109.346 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . 0.422 ' N ' ' O ' ' B' ' 85' ' ' HIS . 1.8 t80 58.27 -147.77 0.5 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.116 -0.99 . . . . 0.0 109.449 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.519 ' HD2' HG23 ' A' ' 11' ' ' ILE . 0.4 OUTLIER -110.13 56.55 0.62 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.231 -0.918 . . . . 0.0 109.245 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.455 ' N ' ' NE2' ' B' ' 85' ' ' HIS . 6.1 tt0 -65.81 94.4 0.21 Allowed 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.259 -0.901 . . . . 0.0 109.498 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -104.21 -26.83 12.37 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.392 -0.818 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 . . . . . 0 N--CA 1.489 1.495 0 CA-C-O 117.993 -1.003 . . . . 0.0 109.467 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.483 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.415 ' O ' ' HB2' ' A' ' 5' ' ' LYS . 89.0 p -118.04 -161.0 0.81 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.293 -0.879 . . . . 0.0 109.425 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.706 ' HB3' HG22 ' B' ' 13' ' ' VAL . 1.0 OUTLIER -77.86 -67.19 0.75 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.297 -0.877 . . . . 0.0 109.721 -179.871 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.531 ' HB3' ' CB ' ' B' ' 39' ' ' GLU . 15.8 tp -56.86 -56.85 16.29 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.4 -0.812 . . . . 0.0 109.875 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.539 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 5.3 tm-20 -43.74 -33.5 1.28 Allowed 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.405 -0.809 . . . . 0.0 110.071 -179.129 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.528 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -80.78 -40.0 25.83 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.953 -1.092 . . . . 0.0 110.13 -179.671 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.538 ' CB ' ' HB3' ' B' ' 9' ' ' ALA . . . -79.79 -65.6 0.98 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.306 -0.871 . . . . 0.0 109.993 -179.323 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.831 ' SD ' HG12 ' B' ' 77' ' ' VAL . 8.1 tpt -45.6 -52.07 11.13 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.391 -0.818 . . . . 0.0 109.801 -179.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.539 ' CG2' ' O ' ' A' ' 4' ' ' GLU . 25.7 t -63.99 -39.17 84.47 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 O-C-N 121.384 -0.822 . . . . 0.0 109.928 -179.404 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.58 ' HB3' ' CB ' ' B' ' 6' ' ' ALA . . . -55.03 -39.76 69.48 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.122 -0.986 . . . . 0.0 109.489 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.656 HD22 ' CE ' ' A' ' 74' ' ' MET . 0.2 OUTLIER -58.28 -48.17 81.3 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.105 -0.997 . . . . 0.0 109.153 179.812 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.96 HG23 ' CE1' ' B' ' 88' ' ' PHE . 1.8 mp -51.6 -31.6 12.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.14 -0.975 . . . . 0.0 108.63 179.398 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -60.93 -58.3 9.03 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.404 -0.81 . . . . 0.0 109.681 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.751 HG22 ' HB3' ' B' ' 2' ' ' GLU . 53.9 t -47.18 -41.3 6.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.447 -0.783 . . . . 0.0 109.932 -179.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.581 ' CE2' ' HA ' ' A' ' 70' ' ' PHE . 19.0 t80 -61.04 -54.43 44.88 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.12 -0.988 . . . . 0.0 110.116 -179.216 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -69.45 -4.94 20.72 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.123 -0.986 . . . . 0.0 109.859 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -91.05 -41.78 10.88 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.105 -0.997 . . . . 0.0 109.706 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.503 ' CE1' HD21 ' A' ' 35' ' ' LEU . 23.4 m-85 -78.4 -54.97 5.61 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.287 -0.883 . . . . 0.0 110.039 -179.536 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.866 ' HB2' HD12 ' A' ' 27' ' ' LEU . 3.2 t -86.95 19.79 2.89 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.12 -0.987 . . . . 0.0 109.871 -179.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -123.79 29.84 5.04 Favored Glycine 0 N--CA 1.488 2.105 0 N-CA-C 109.208 -1.557 . . . . 0.0 109.208 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.429 ' HG3' ' N ' ' A' ' 21' ' ' GLU . 1.3 ptt85 -157.29 -31.9 0.08 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.284 -1.127 . . . . 0.0 110.254 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.429 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 2.0 pt-20 -101.64 -99.38 0.27 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.978 -1.077 . . . . 0.0 110.058 -179.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.445 ' O ' ' O ' ' A' ' 23' ' ' ASP . . . -68.55 -176.04 11.1 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.924 -1.271 . . . . 0.0 109.924 -179.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.445 ' O ' ' O ' ' A' ' 22' ' ' GLY . 0.8 OUTLIER -51.61 -177.19 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.302 -1.116 . . . . 0.0 109.385 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.497 ' O ' ' HB3' ' A' ' 25' ' ' HIS . 10.3 mttm -111.82 -177.4 3.17 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.251 -0.906 . . . . 0.0 109.358 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.6 ' O ' ' CG ' ' A' ' 25' ' ' HIS . 12.4 t60 64.08 6.33 2.83 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.45 -0.781 . . . . 0.0 110.293 179.463 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -150.33 146.57 26.82 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.619 -1.301 . . . . 0.0 109.983 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.866 HD12 ' HB2' ' A' ' 18' ' ' SER . 1.3 tp -128.38 -154.16 0.62 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.329 -0.857 . . . . 0.0 108.964 179.412 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.489 ' HG2' ' O ' ' A' ' 66' ' ' GLY . 8.5 mtpt -146.43 160.91 41.46 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.268 -0.895 . . . . 0.0 109.541 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.65 ' HB3' HD23 ' A' ' 60' ' ' LEU . 6.2 mtpp -76.7 -18.85 58.28 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.275 -0.89 . . . . 0.0 109.092 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.6 t -80.6 -45.29 17.56 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.397 -0.814 . . . . 0.0 109.014 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.472 ' O ' ' HB2' ' A' ' 35' ' ' LEU . 0.8 OUTLIER -78.46 -20.75 50.25 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.116 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 1.117 HD13 ' CD2' ' A' ' 73' ' ' PHE . 2.7 tp -78.26 -44.14 26.29 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 178.424 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 1.027 ' HB2' HD22 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -61.57 -43.21 99.27 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 178.32 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.432 ' O ' ' HB2' ' A' ' 38' ' ' ASN . 0.3 OUTLIER -68.61 -33.23 73.67 Favored 'General case' 0 C--N 1.296 -1.748 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 179.644 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.637 HD11 HG11 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -58.57 -40.1 82.17 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 179.416 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.758 HG21 HG21 ' A' ' 80' ' ' VAL . 0.5 OUTLIER -81.22 -59.15 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.419 -0.801 . . . . 0.0 110.429 -179.892 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -61.25 -3.78 0.99 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.229 -0.92 . . . . 0.0 111.597 -178.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.432 ' HB2' ' O ' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -111.57 -56.46 2.38 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.614 -1.304 . . . . 0.0 110.161 -179.543 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.524 ' CB ' ' HB3' ' B' ' 3' ' ' LEU . 0.8 OUTLIER -99.1 23.88 8.52 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.156 -0.965 . . . . 0.0 110.606 -178.898 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.688 HD22 HG22 ' A' ' 36' ' ' ILE . 1.0 OUTLIER -141.74 -50.72 0.41 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.795 -1.191 . . . . 0.0 109.862 179.427 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -46.64 -22.52 0.3 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.251 -0.906 . . . . 0.0 110.125 -179.908 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.453 ' C ' ' O ' ' A' ' 41' ' ' SER . 0.3 OUTLIER -37.16 -32.28 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.487 -0.758 . . . . 0.0 110.301 -179.698 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.574 ' O ' ' CG ' ' A' ' 43' ' ' PHE . 15.6 p90 -135.84 116.94 14.37 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.012 -1.055 . . . . 0.0 109.531 179.659 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.753 HD23 HD11 ' A' ' 47' ' ' ILE . 5.2 tp 173.19 -79.33 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.559 -0.713 . . . . 0.0 109.346 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 44' ' ' LEU . 5.0 mt-10 42.23 26.22 0.05 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.114 -0.991 . . . . 0.0 110.013 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 44' ' ' LEU . 1.7 mt-10 -143.25 -82.54 0.18 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.05 -1.031 . . . . 0.0 109.873 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.753 HD11 HD23 ' A' ' 44' ' ' LEU . 7.3 mt 58.62 105.64 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.18 -0.95 . . . . 0.0 109.265 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.562 ' HB2' ' CD2' ' A' ' 85' ' ' HIS . 8.4 tptp -106.62 -20.09 13.46 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.258 -0.901 . . . . 0.0 109.358 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.511 ' HB3' ' HB ' ' A' ' 52' ' ' VAL . 8.0 mm-40 -83.3 69.86 10.04 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.169 -0.957 . . . . 0.0 108.963 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.546 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 49.2 tt0 -49.04 -22.56 0.92 Allowed 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.21 -0.932 . . . . 0.0 109.74 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.2 -42.25 21.08 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.057 -1.027 . . . . 0.0 110.575 -179.396 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.678 ' O ' HG22 ' A' ' 56' ' ' VAL . 54.7 t -70.92 -40.38 76.34 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.058 -1.026 . . . . 0.0 110.122 -179.12 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.747 HG21 HG23 ' A' ' 47' ' ' ILE . 36.5 t -80.72 -28.62 11.52 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 O-C-N 121.089 -1.007 . . . . 0.0 109.727 -179.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.546 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 28.8 t70 -81.76 -21.55 37.75 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.036 -1.04 . . . . 0.0 108.791 179.528 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.43 ' HD3' ' C ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -75.42 -44.71 43.1 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.239 -0.913 . . . . 0.0 109.165 179.827 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.91 HG12 ' CZ ' ' A' ' 76' ' ' PHE . 2.2 m -80.31 -35.31 15.4 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 O-C-N 121.013 -1.054 . . . . 0.0 108.638 179.27 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.494 ' HB2' ' O ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -72.39 -24.87 61.32 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.432 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.538 ' CG ' ' O ' ' A' ' 54' ' ' ASP . 1.2 mm-40 -74.2 -51.38 15.65 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 119.456 -0.898 . . . . 0.0 109.01 179.507 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.546 HG22 ' CE ' ' A' ' 29' ' ' LYS . 4.9 m -65.53 -24.17 67.05 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.342 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 1.027 HD22 ' HB2' ' A' ' 33' ' ' LYS . 10.9 mt -70.05 -52.97 19.66 Favored 'General case' 0 C--N 1.304 -1.404 0 CA-C-O 121.478 0.656 . . . . 0.0 109.501 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.34 -11.44 59.9 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.523 -0.736 . . . . 0.0 109.739 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.452 ' O ' ' OD1' ' A' ' 63' ' ' ASP . 38.2 tt0 -72.78 -36.22 67.57 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.234 -0.916 . . . . 0.0 109.821 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.507 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 68.6 m-20 -156.93 55.36 0.53 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.219 -0.925 . . . . 0.0 109.582 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 63' ' ' ASP . . . -40.24 -27.82 0.15 Allowed Glycine 0 N--CA 1.494 2.519 0 N-CA-C 109.973 -1.251 . . . . 0.0 109.973 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 63' ' ' ASP . 11.8 t0 -91.87 40.91 1.05 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.147 -1.208 . . . . 0.0 109.444 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.489 ' O ' ' HG2' ' A' ' 28' ' ' LYS . . . -108.06 171.95 16.63 Favored Glycine 0 N--CA 1.487 2.085 0 N-CA-C 109.606 -1.398 . . . . 0.0 109.606 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -106.57 128.63 54.28 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.13 -1.218 . . . . 0.0 109.712 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 87.1 m -105.65 171.49 7.3 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.276 -0.89 . . . . 0.0 109.575 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.452 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 1.5 m-20 -108.53 -177.33 3.29 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.259 -0.901 . . . . 0.0 109.428 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.602 ' CE1' ' HG3' ' A' ' 71' ' ' GLN . 6.6 p90 -79.56 -35.0 40.46 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.124 -0.985 . . . . 0.0 109.214 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.602 ' HG3' ' CE1' ' A' ' 70' ' ' PHE . 1.1 mt-30 -78.58 -26.48 45.52 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.247 -0.908 . . . . 0.0 109.068 179.444 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.483 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -78.13 -50.91 11.09 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.313 -0.867 . . . . 0.0 108.979 179.786 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 1.117 ' CD2' HD13 ' A' ' 32' ' ' LEU . 5.2 t80 -62.17 -22.15 65.65 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.386 -0.821 . . . . 0.0 108.985 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.732 ' HG3' HG21 ' B' ' 82' ' ' THR . 0.0 OUTLIER -80.25 -55.45 4.9 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.301 -0.874 . . . . 0.0 109.801 -179.794 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.519 ' O ' ' HG3' ' A' ' 79' ' ' MET . . . -66.26 -16.56 64.12 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.34 -0.85 . . . . 0.0 109.087 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.91 ' CZ ' HG12 ' A' ' 56' ' ' VAL . 0.1 OUTLIER -77.17 -39.25 49.69 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.332 -0.855 . . . . 0.0 109.246 179.514 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.843 HG12 ' SD ' ' B' ' 7' ' ' MET . 84.1 t -70.67 -27.61 31.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.389 -0.819 . . . . 0.0 109.847 -179.64 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 77.5 p -77.05 -42.63 37.61 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.122 -0.987 . . . . 0.0 110.515 -179.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.551 ' HB3' HG13 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -57.73 -46.05 84.95 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.926 -1.109 . . . . 0.0 110.201 -179.555 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.758 HG21 HG21 ' A' ' 36' ' ' ILE . 25.5 m -70.45 -45.08 76.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 O-C-N 121.183 -0.948 . . . . 0.0 110.623 -179.007 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.696 HG21 ' HG3' ' B' ' 7' ' ' MET . 1.9 m -66.56 -8.61 28.0 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.801 -1.187 . . . . 0.0 109.624 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.751 HG21 ' HG3' ' B' ' 74' ' ' MET . 61.0 p -129.73 13.55 5.88 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.248 -0.907 . . . . 0.0 109.361 179.661 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.525 ' O ' ' CB ' ' A' ' 84' ' ' CYS . . . -44.89 -63.69 0.86 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.265 -0.897 . . . . 0.0 109.235 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.525 ' CB ' ' O ' ' A' ' 83' ' ' ALA . 0.7 OUTLIER 161.76 -170.53 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.403 -0.811 . . . . 0.0 109.728 179.746 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.562 ' CD2' ' HB2' ' A' ' 48' ' ' LYS . 0.1 OUTLIER 66.54 -83.8 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.478 -0.764 . . . . 0.0 109.358 -179.563 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.414 ' OE1' ' HB2' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -68.68 86.34 0.32 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.03 -1.043 . . . . 0.0 108.701 179.451 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.647 ' CZ ' ' CE2' ' A' ' 88' ' ' PHE . 9.5 t80 -114.98 101.38 8.97 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.342 -0.849 . . . . 0.0 109.486 -179.455 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.897 ' CE1' HG23 ' B' ' 11' ' ' ILE . 3.7 m-85 41.75 67.1 0.6 Allowed 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.441 -0.787 . . . . 0.0 109.494 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.465 ' O ' ' HB3' ' A' ' 90' ' ' HIS . 1.7 tp10 -100.81 31.29 3.61 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.322 -0.861 . . . . 0.0 109.935 -179.505 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.607 ' O ' ' CG ' ' A' ' 90' ' ' HIS . 20.5 t60 61.78 11.24 3.91 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.272 -0.892 . . . . 0.0 109.712 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 . . . . . 0 N--CA 1.49 1.568 0 O-C-N 120.893 -1.13 . . . . 0.0 109.504 179.693 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . 0.422 ' O ' ' HB2' ' B' ' 5' ' ' LYS . 89.1 p -117.99 -160.96 0.8 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.226 -0.921 . . . . 0.0 109.505 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.751 ' HB3' HG22 ' A' ' 13' ' ' VAL . 1.0 OUTLIER -77.95 -67.26 0.75 Allowed 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.3 -0.875 . . . . 0.0 109.637 -179.863 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.524 ' HB3' ' CB ' ' A' ' 39' ' ' GLU . 15.8 tp -56.84 -56.84 16.47 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.272 -0.893 . . . . 0.0 109.851 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.532 ' O ' ' CG2' ' B' ' 8' ' ' VAL . 5.3 tm-20 -43.76 -33.54 1.3 Allowed 'General case' 0 C--N 1.297 -1.706 0 O-C-N 121.394 -0.816 . . . . 0.0 110.119 -179.125 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.53 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 0.0 OUTLIER -80.7 -39.99 26.17 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.986 -1.071 . . . . 0.0 110.203 -179.727 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.58 ' CB ' ' HB3' ' A' ' 9' ' ' ALA . . . -79.78 -65.66 0.97 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.158 -0.964 . . . . 0.0 110.02 -179.396 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . 0.843 ' SD ' HG12 ' A' ' 77' ' ' VAL . 8.1 tpt -45.56 -52.09 10.98 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.403 -0.811 . . . . 0.0 109.826 -179.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.532 ' CG2' ' O ' ' B' ' 4' ' ' GLU . 25.8 t -64.01 -39.13 84.33 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.548 0 O-C-N 121.349 -0.844 . . . . 0.0 109.915 -179.442 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.538 ' HB3' ' CB ' ' A' ' 6' ' ' ALA . . . -55.1 -39.75 69.68 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.154 -0.966 . . . . 0.0 109.43 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.651 HD22 ' CE ' ' B' ' 74' ' ' MET . 0.2 OUTLIER -58.22 -48.25 80.96 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.143 -0.973 . . . . 0.0 109.108 179.809 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.897 HG23 ' CE1' ' A' ' 88' ' ' PHE . 1.8 mp -51.57 -31.75 12.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.215 -0.928 . . . . 0.0 108.544 179.419 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -60.84 -58.34 8.87 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.529 -0.732 . . . . 0.0 109.739 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.706 HG22 ' HB3' ' A' ' 2' ' ' GLU . 53.6 t -47.1 -41.33 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.383 -0.823 . . . . 0.0 109.955 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.584 ' CE2' ' HA ' ' B' ' 70' ' ' PHE . 18.7 t80 -60.94 -54.49 44.33 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.157 -0.965 . . . . 0.0 110.147 -179.246 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -69.5 -4.84 20.53 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.182 -0.949 . . . . 0.0 109.959 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -91.08 -41.69 10.91 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.11 -0.993 . . . . 0.0 109.67 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.502 ' CE1' HD21 ' B' ' 35' ' ' LEU . 23.6 m-85 -78.48 -54.97 5.59 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.288 -0.882 . . . . 0.0 110.027 -179.504 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.873 ' HB2' HD12 ' B' ' 27' ' ' LEU . 3.2 t -87.04 19.91 2.89 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.143 -0.973 . . . . 0.0 109.826 -179.631 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -123.78 29.74 5.07 Favored Glycine 0 N--CA 1.486 2.011 0 N-CA-C 109.281 -1.528 . . . . 0.0 109.281 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.437 ' HG3' ' N ' ' B' ' 21' ' ' GLU . 1.3 ptt85 -157.23 -31.93 0.08 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.285 -1.126 . . . . 0.0 110.3 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.437 ' N ' ' HG3' ' B' ' 20' ' ' ARG . 2.0 pt-20 -101.67 -99.41 0.27 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.044 -1.035 . . . . 0.0 110.081 -179.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . 0.439 ' O ' ' O ' ' B' ' 23' ' ' ASP . . . -68.57 -175.93 10.97 Favored Glycine 0 N--CA 1.494 2.527 0 N-CA-C 109.863 -1.295 . . . . 0.0 109.863 -179.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.439 ' O ' ' O ' ' B' ' 22' ' ' GLY . 0.8 OUTLIER -51.72 -177.21 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.446 -1.032 . . . . 0.0 109.331 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.499 ' O ' ' HB3' ' B' ' 25' ' ' HIS . 10.4 mttm -111.81 -177.32 3.15 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.176 -0.952 . . . . 0.0 109.324 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . 0.602 ' O ' ' CG ' ' B' ' 25' ' ' HIS . 12.5 t60 63.94 6.5 2.82 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.418 -0.801 . . . . 0.0 110.283 179.452 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -150.47 146.5 26.67 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.648 -1.283 . . . . 0.0 109.957 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.873 HD12 ' HB2' ' B' ' 18' ' ' SER . 1.4 tp -128.29 -154.1 0.61 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.418 -0.801 . . . . 0.0 109.022 179.43 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.489 ' HG2' ' O ' ' B' ' 66' ' ' GLY . 8.6 mtpt -146.5 160.93 41.48 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.239 -0.913 . . . . 0.0 109.574 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.643 ' HB3' HD23 ' B' ' 60' ' ' LEU . 6.2 mtpp -76.76 -18.83 58.22 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.322 -0.861 . . . . 0.0 109.06 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.6 t -80.59 -45.39 17.42 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.365 -0.834 . . . . 0.0 108.986 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.465 ' O ' ' HB2' ' B' ' 35' ' ' LEU . 0.8 OUTLIER -78.42 -20.71 50.51 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 179.103 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 1.119 HD13 ' CD2' ' B' ' 73' ' ' PHE . 2.6 tp -78.33 -44.06 26.18 Favored 'General case' 0 N--CA 1.487 1.384 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 178.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 1.0 ' HB2' HD22 ' B' ' 60' ' ' LEU . 0.1 OUTLIER -61.67 -43.08 99.54 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 178.314 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.435 ' O ' ' HB2' ' B' ' 38' ' ' ASN . 0.3 OUTLIER -68.66 -33.31 73.77 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 179.585 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.642 HD11 HG11 ' B' ' 13' ' ' VAL . 0.1 OUTLIER -58.37 -40.19 81.62 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 179.304 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.769 HG21 HG21 ' B' ' 80' ' ' VAL . 0.5 OUTLIER -81.26 -59.24 3.0 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.445 -0.784 . . . . 0.0 110.351 -179.848 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -61.12 -3.81 0.94 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.183 -0.948 . . . . 0.0 111.695 -178.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.435 ' HB2' ' O ' ' B' ' 34' ' ' GLU . 0.2 OUTLIER -111.56 -56.5 2.37 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.666 -1.271 . . . . 0.0 110.182 -179.588 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.531 ' CB ' ' HB3' ' A' ' 3' ' ' LEU . 0.8 OUTLIER -99.02 23.83 8.52 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.093 -1.004 . . . . 0.0 110.659 -178.917 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.69 HD22 HG22 ' B' ' 36' ' ' ILE . 1.1 tt -141.72 -50.7 0.41 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.882 -1.136 . . . . 0.0 109.904 179.418 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.461 ' O ' ' C ' ' B' ' 42' ' ' HIS . 0.1 OUTLIER -46.53 -22.62 0.29 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.333 -0.854 . . . . 0.0 110.161 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . 0.461 ' C ' ' O ' ' B' ' 41' ' ' SER . 0.3 OUTLIER -37.12 -32.26 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.508 -0.745 . . . . 0.0 110.366 -179.672 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . 0.574 ' O ' ' CG ' ' B' ' 43' ' ' PHE . 15.5 p90 -135.8 116.92 14.4 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.036 -1.04 . . . . 0.0 109.535 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.756 HD23 HD11 ' B' ' 47' ' ' ILE . 5.1 tp 173.18 -79.29 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.451 -0.78 . . . . 0.0 109.477 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' B' ' 44' ' ' LEU . 5.0 mt-10 42.13 26.32 0.05 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.07 -1.019 . . . . 0.0 110.03 179.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.44 ' HB3' ' CG ' ' B' ' 85' ' ' HIS . 1.7 mt-10 -143.3 -82.59 0.17 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.9 -1.125 . . . . 0.0 109.841 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.756 HD11 HD23 ' B' ' 44' ' ' LEU . 7.3 mt 58.63 105.67 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.165 -0.959 . . . . 0.0 109.226 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.564 ' HB2' ' CD2' ' B' ' 85' ' ' HIS . 8.4 tptp -106.67 -20.14 13.45 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.215 -0.928 . . . . 0.0 109.412 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.512 ' HB3' ' HB ' ' B' ' 52' ' ' VAL . 8.0 mm-40 -83.14 69.77 9.95 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.193 -0.942 . . . . 0.0 108.989 179.563 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . 0.555 ' O ' ' CB ' ' B' ' 54' ' ' ASP . 49.2 tt0 -49.09 -22.54 0.95 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.314 -0.866 . . . . 0.0 109.718 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.17 -42.2 21.22 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.118 -0.989 . . . . 0.0 110.605 -179.426 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.693 ' O ' HG22 ' B' ' 56' ' ' VAL . 54.7 t -70.96 -40.35 76.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 120.981 -1.074 . . . . 0.0 110.159 -179.134 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.732 HG21 HG23 ' B' ' 47' ' ' ILE . 36.6 t -80.61 -28.67 11.66 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.509 0 O-C-N 121.096 -1.003 . . . . 0.0 109.755 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . 0.555 ' CB ' ' O ' ' B' ' 50' ' ' GLN . 28.8 t70 -81.78 -21.57 37.67 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 120.984 -1.073 . . . . 0.0 108.745 179.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.437 ' C ' ' HD3' ' B' ' 55' ' ' LYS . 0.0 OUTLIER -75.37 -44.7 43.59 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.228 -0.92 . . . . 0.0 109.221 179.82 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.908 HG12 ' CZ ' ' B' ' 76' ' ' PHE . 2.2 m -80.3 -35.45 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 121.092 -1.005 . . . . 0.0 108.582 179.33 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.495 ' HB2' ' O ' ' B' ' 53' ' ' VAL . 0.0 OUTLIER -72.28 -24.98 61.42 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 179.452 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . 0.526 ' CG ' ' O ' ' B' ' 54' ' ' ASP . 1.2 mm-40 -74.08 -51.57 15.33 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.241 -0.912 . . . . 0.0 108.929 179.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . 0.554 HG22 ' CE ' ' B' ' 29' ' ' LYS . 4.9 m -65.44 -24.21 67.12 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 179.398 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 1.0 HD22 ' HB2' ' B' ' 33' ' ' LYS . 10.8 mt -70.02 -52.9 20.33 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-O 121.474 0.654 . . . . 0.0 109.5 179.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.39 -11.51 59.91 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.529 -0.732 . . . . 0.0 109.654 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.446 ' O ' ' OD1' ' B' ' 63' ' ' ASP . 38.2 tt0 -72.78 -36.23 67.59 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.29 -0.881 . . . . 0.0 109.732 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.507 ' O ' ' HD3' ' B' ' 29' ' ' LYS . 68.6 m-20 -156.88 55.38 0.53 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.215 -0.928 . . . . 0.0 109.616 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' B' ' 63' ' ' ASP . . . -40.34 -27.75 0.16 Allowed Glycine 0 N--CA 1.493 2.495 0 N-CA-C 109.928 -1.269 . . . . 0.0 109.928 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' B' ' 63' ' ' ASP . 11.9 t0 -91.82 40.84 1.05 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.205 -1.174 . . . . 0.0 109.444 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.489 ' O ' ' HG2' ' B' ' 28' ' ' LYS . . . -108.09 171.9 16.56 Favored Glycine 0 N--CA 1.488 2.146 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -106.51 128.59 54.22 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.175 -1.191 . . . . 0.0 109.739 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 86.8 m -105.76 171.49 7.31 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.187 -0.946 . . . . 0.0 109.501 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' B' ' 69' ' ' ASP . 1.5 m-20 -108.54 -177.37 3.3 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.194 -0.941 . . . . 0.0 109.457 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.601 ' CE1' ' HG3' ' B' ' 71' ' ' GLN . 6.5 p90 -79.64 -34.93 40.1 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.017 -1.052 . . . . 0.0 109.195 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.601 ' HG3' ' CE1' ' B' ' 70' ' ' PHE . 1.1 mt-30 -78.63 -26.4 45.24 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.281 -0.887 . . . . 0.0 109.07 179.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.484 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 0.2 OUTLIER -78.19 -50.94 11.0 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.35 -0.844 . . . . 0.0 108.893 179.817 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 1.119 ' CD2' HD13 ' B' ' 32' ' ' LEU . 5.3 t80 -62.15 -22.2 65.67 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.305 -0.872 . . . . 0.0 108.886 179.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.751 ' HG3' HG21 ' A' ' 82' ' ' THR . 0.0 OUTLIER -80.27 -55.5 4.87 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.294 -0.879 . . . . 0.0 109.802 -179.723 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.519 ' O ' ' HG3' ' B' ' 79' ' ' MET . . . -66.26 -16.45 64.03 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.305 -0.872 . . . . 0.0 109.171 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.908 ' CZ ' HG12 ' B' ' 56' ' ' VAL . 0.1 OUTLIER -77.28 -39.18 49.02 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.386 -0.821 . . . . 0.0 109.262 179.495 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.831 HG12 ' SD ' ' A' ' 7' ' ' MET . 84.3 t -70.64 -27.66 31.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.325 -0.859 . . . . 0.0 109.863 -179.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 77.1 p -76.97 -42.69 37.97 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.989 -1.069 . . . . 0.0 110.596 -179.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . 0.552 ' HB3' HG13 ' B' ' 52' ' ' VAL . 0.0 OUTLIER -57.76 -46.09 85.02 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.876 -1.14 . . . . 0.0 110.115 -179.507 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.769 HG21 HG21 ' B' ' 36' ' ' ILE . 25.3 m -70.4 -44.97 76.85 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 O-C-N 121.222 -0.924 . . . . 0.0 110.675 -179.003 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.737 HG21 ' HG3' ' A' ' 7' ' ' MET . 1.9 m -66.63 -8.65 28.81 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.839 -1.163 . . . . 0.0 109.521 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.732 HG21 ' HG3' ' A' ' 74' ' ' MET . 59.9 p -129.74 13.6 5.88 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.142 -0.974 . . . . 0.0 109.326 179.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.533 ' O ' ' CB ' ' B' ' 84' ' ' CYS . . . -44.9 -63.67 0.87 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.3 -0.875 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . 0.533 ' CB ' ' O ' ' B' ' 83' ' ' ALA . 0.7 OUTLIER 161.82 -170.47 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.321 -0.862 . . . . 0.0 109.726 179.735 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . 0.564 ' CD2' ' HB2' ' B' ' 48' ' ' LYS . 0.1 OUTLIER 66.5 -83.79 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.544 -0.723 . . . . 0.0 109.387 -179.633 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . 0.41 ' OE1' ' HB2' ' B' ' 46' ' ' GLU . 0.0 OUTLIER -68.7 86.37 0.32 Allowed 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.968 -1.082 . . . . 0.0 108.7 179.414 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . 0.646 ' CZ ' ' CE2' ' B' ' 88' ' ' PHE . 9.4 t80 -114.95 101.38 8.97 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.315 -0.866 . . . . 0.0 109.469 -179.476 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.96 ' CE1' HG23 ' A' ' 11' ' ' ILE . 3.6 m-85 41.84 67.03 0.61 Allowed 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.456 -0.778 . . . . 0.0 109.472 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.465 ' O ' ' HB3' ' B' ' 90' ' ' HIS . 1.7 tp10 -100.78 31.34 3.58 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.309 -0.869 . . . . 0.0 109.896 -179.509 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . 0.614 ' O ' ' CG ' ' B' ' 90' ' ' HIS . 20.6 t60 61.75 11.17 3.84 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.133 -0.979 . . . . 0.0 109.676 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 . . . . . 0 N--CA 1.49 1.54 0 O-C-N 120.861 -1.15 . . . . 0.0 109.579 179.719 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 2.5 mmt . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.7 p -78.8 -177.26 5.37 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.17 -0.956 . . . . 0.0 109.331 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.892 ' HB2' HG22 ' B' ' 13' ' ' VAL . 32.3 mm-40 -69.26 -38.72 78.56 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.266 -0.896 . . . . 0.0 109.677 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.784 HD23 ' HG ' ' B' ' 40' ' ' LEU . 7.6 tp -80.15 -50.05 10.82 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.337 -0.852 . . . . 0.0 109.979 -179.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.551 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 61.6 tt0 -57.37 -41.97 81.2 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.04 -1.038 . . . . 0.0 109.938 -179.395 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.57 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 8.6 tptt -78.39 -38.7 41.08 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.846 -1.159 . . . . 0.0 109.735 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.601 ' CB ' ' HB3' ' B' ' 9' ' ' ALA . . . -80.12 -70.44 0.52 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.167 -0.958 . . . . 0.0 109.727 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.842 ' SD ' HG12 ' B' ' 77' ' ' VAL . 8.3 tpt -40.58 -48.31 2.85 Favored 'General case' 0 N--CA 1.491 1.587 0 CA-C-O 121.664 0.745 . . . . 0.0 109.914 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.551 ' CG2' ' O ' ' A' ' 4' ' ' GLU . 21.2 t -70.55 -38.41 73.42 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.587 0 O-C-N 121.446 -0.784 . . . . 0.0 109.855 -179.257 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.623 ' HB3' ' CB ' ' B' ' 6' ' ' ALA . . . -53.24 -44.36 68.05 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.003 -1.061 . . . . 0.0 108.874 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.801 HD22 ' CE ' ' A' ' 74' ' ' MET . 0.3 OUTLIER -54.31 -52.74 60.56 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 179.219 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.428 HG22 ' HD1' ' B' ' 88' ' ' PHE . 31.9 mm -49.7 -34.18 8.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 179.099 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -61.99 -45.47 93.5 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.549 -0.719 . . . . 0.0 109.3 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.876 HG22 ' HB2' ' B' ' 2' ' ' GLU . 53.3 t -46.84 -37.3 3.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.157 -0.964 . . . . 0.0 109.108 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 1.126 ' CZ ' HD23 ' A' ' 27' ' ' LEU . 2.1 t80 -62.67 -45.5 92.52 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.119 -0.988 . . . . 0.0 109.321 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 28.3 t60 -67.95 -7.1 25.82 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.304 -0.872 . . . . 0.0 109.559 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -93.03 -58.65 2.26 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.228 -0.92 . . . . 0.0 109.638 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -74.43 -60.88 2.07 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.179 -0.951 . . . . 0.0 109.583 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.8 t -68.88 -7.44 34.75 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.211 -0.931 . . . . 0.0 109.543 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.86 6.48 66.1 Favored Glycine 0 N--CA 1.489 2.179 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -75.85 -100.36 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.233 -1.157 . . . . 0.0 109.449 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -162.08 -169.1 2.08 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.92 -1.112 . . . . 0.0 109.466 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.44 -90.39 0.23 Allowed Glycine 0 N--CA 1.489 2.222 0 N-CA-C 109.24 -1.544 . . . . 0.0 109.24 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.551 ' HB2' ' CG ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -105.81 97.63 7.43 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.233 -1.157 . . . . 0.0 109.316 179.728 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.464 ' O ' ' HB3' ' A' ' 25' ' ' HIS . 30.0 tttm -102.51 153.33 20.17 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.362 -0.836 . . . . 0.0 109.675 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.505 ' NE2' ' CE2' ' A' ' 70' ' ' PHE . 13.1 t-160 74.16 4.59 4.58 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.361 -0.837 . . . . 0.0 109.55 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.551 ' CG ' ' HB2' ' A' ' 23' ' ' ASP . 9.4 ptmt -138.19 142.19 40.03 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.181 -0.949 . . . . 0.0 109.477 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 1.126 HD23 ' CZ ' ' A' ' 14' ' ' PHE . 0.4 OUTLIER -104.82 -165.54 1.14 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.248 -0.907 . . . . 0.0 109.479 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.522 ' CG ' ' O ' ' A' ' 66' ' ' GLY . 1.6 tttt -149.67 164.17 35.93 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.242 -0.911 . . . . 0.0 109.154 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.558 ' HE3' HG22 ' A' ' 59' ' ' THR . 3.6 mttp -76.65 -27.81 55.78 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.178 -0.951 . . . . 0.0 109.01 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.2 p -75.18 -38.07 60.97 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.446 -0.784 . . . . 0.0 109.319 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.494 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 16.7 tt0 -85.86 -19.32 30.77 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.136 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.529 ' O ' HG13 ' A' ' 36' ' ' ILE . 11.1 tp -79.99 -31.82 39.78 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 107.416 -1.327 . . . . 0.0 107.416 178.522 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.585 ' HB2' HD22 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -65.87 -43.53 88.07 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 179.076 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.549 ' HG3' ' N ' ' A' ' 35' ' ' LEU . 6.1 pt-20 -70.32 -41.95 72.6 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 179.144 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.801 ' CD1' HD22 ' B' ' 3' ' ' LEU . 0.1 OUTLIER -45.44 -43.22 11.21 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 179.524 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.529 HG13 ' O ' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -79.43 -57.71 4.85 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.129 -0.982 . . . . 0.0 109.976 -179.816 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.494 ' O ' ' HB2' ' A' ' 41' ' ' SER . 15.9 t-20 -75.54 -61.26 1.97 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.318 -0.864 . . . . 0.0 110.474 -178.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.503 ' HB3' ' O ' ' A' ' 34' ' ' GLU . 2.1 t30 -50.91 -28.7 10.23 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.187 -0.946 . . . . 0.0 110.297 -178.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.538 ' HG2' ' HB3' ' B' ' 3' ' ' LEU . 0.0 OUTLIER -101.83 -70.89 0.73 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.859 -1.151 . . . . 0.0 110.188 -179.634 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.72 ' HG ' HD23 ' B' ' 3' ' ' LEU . 84.0 mt -71.56 -99.5 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.101 -1.0 . . . . 0.0 110.025 -179.248 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.494 ' HB2' ' O ' ' A' ' 37' ' ' ASN . 7.1 t 57.98 16.25 3.62 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.888 -1.132 . . . . 0.0 109.656 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -85.89 -60.48 2.0 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.168 -0.958 . . . . 0.0 109.399 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.448 ' O ' ' O ' ' A' ' 44' ' ' LEU . 26.1 m-85 -62.35 -108.79 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.195 -0.941 . . . . 0.0 108.893 179.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.448 ' O ' ' O ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER 39.85 92.73 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.023 -1.048 . . . . 0.0 110.114 179.536 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -114.15 -80.04 0.59 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.267 -0.896 . . . . 0.0 108.918 179.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.5 ' HG3' ' O ' ' A' ' 46' ' ' GLU . 1.8 tt0 -110.13 -17.77 13.48 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.328 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.568 HG23 HG21 ' A' ' 53' ' ' VAL . 16.1 mt 74.53 99.96 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.531 -0.731 . . . . 0.0 109.861 179.511 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.608 ' HB2' ' CD2' ' A' ' 85' ' ' HIS . 2.6 tttp -89.38 -44.41 10.21 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.328 -0.857 . . . . 0.0 108.801 179.423 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.661 ' OE1' HG23 ' A' ' 52' ' ' VAL . 6.8 mm-40 -83.67 69.32 10.13 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 179.378 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.478 ' O ' ' HB2' ' A' ' 54' ' ' ASP . 0.8 OUTLIER -51.04 -23.79 3.31 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.238 -0.914 . . . . 0.0 109.553 -179.673 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.483 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 2.5 tt0 -80.24 -36.32 34.83 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.133 -0.979 . . . . 0.0 110.121 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.919 ' O ' HG22 ' A' ' 56' ' ' VAL . 33.4 t -72.05 -42.27 67.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.052 -1.03 . . . . 0.0 109.738 -179.621 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.568 HG21 HG23 ' A' ' 47' ' ' ILE . 86.6 t -78.9 -33.84 16.53 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.169 -0.957 . . . . 0.0 109.635 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.531 ' O ' ' CG ' ' A' ' 58' ' ' GLU . 49.3 m-20 -78.84 -20.67 49.07 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.03 -1.044 . . . . 0.0 108.68 179.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.483 ' HB2' ' O ' ' A' ' 51' ' ' GLU . 23.9 tptp -80.53 -48.2 13.11 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.33 -0.856 . . . . 0.0 109.776 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.919 HG22 ' O ' ' A' ' 52' ' ' VAL . 6.1 m -74.87 -37.89 42.75 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 O-C-N 121.015 -1.053 . . . . 0.0 109.391 -179.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 51.8 tpp -73.02 -23.13 60.57 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.465 -0.772 . . . . 0.0 109.288 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.531 ' CG ' ' O ' ' A' ' 54' ' ' ASP . 22.7 mt-10 -77.76 -47.1 19.81 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.927 -1.108 . . . . 0.0 108.885 179.448 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.558 HG22 ' HE3' ' A' ' 29' ' ' LYS . 4.2 m -66.57 -21.27 66.14 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 178.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.585 HD22 ' HB2' ' A' ' 33' ' ' LYS . 12.4 mt -74.77 -58.84 3.03 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-O 121.627 0.727 . . . . 0.0 109.063 179.457 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.12 -4.83 46.46 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.544 -0.723 . . . . 0.0 109.527 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.45 ' CB ' ' O ' ' A' ' 58' ' ' GLU . 52.9 tt0 -80.41 -54.5 5.65 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.224 -0.922 . . . . 0.0 109.598 -179.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.502 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 1.1 t0 -128.03 47.59 2.39 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.434 -0.792 . . . . 0.0 109.965 -179.583 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.51 ' HA2' ' HB2' ' A' ' 29' ' ' LYS . . . -39.45 -29.26 0.13 Allowed Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.486 ' N ' ' O ' ' A' ' 63' ' ' ASP . 27.6 t70 -92.93 42.51 1.1 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.334 -1.098 . . . . 0.0 109.44 179.559 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.522 ' O ' ' CG ' ' A' ' 28' ' ' LYS . . . -120.4 175.29 15.93 Favored Glycine 0 N--CA 1.489 2.173 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -115.2 152.88 31.85 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.053 -1.263 . . . . 0.0 110.146 -179.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.92 -171.5 2.59 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.467 -0.771 . . . . 0.0 109.241 179.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -122.08 174.59 6.84 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.189 -0.944 . . . . 0.0 109.351 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.58 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 6.9 p90 -72.14 -32.14 66.64 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.293 -0.879 . . . . 0.0 109.272 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.488 ' HG3' ' N ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -80.09 -29.81 39.12 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.161 -0.962 . . . . 0.0 109.152 179.804 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.488 ' N ' ' HG3' ' A' ' 71' ' ' GLN . 0.6 OUTLIER -72.22 -58.54 3.33 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.275 -0.891 . . . . 0.0 108.665 179.491 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.712 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -57.55 -25.05 59.36 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 179.141 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.801 ' CE ' HD22 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -69.11 -54.74 13.44 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.591 -0.693 . . . . 0.0 109.531 -179.841 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.472 ' O ' ' HG3' ' A' ' 79' ' ' MET . . . -69.18 -16.08 63.55 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.331 -0.856 . . . . 0.0 109.096 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.653 ' O ' HG22 ' A' ' 80' ' ' VAL . 1.4 m-85 -79.85 -37.81 34.15 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.408 -0.807 . . . . 0.0 109.225 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.833 HG12 ' SD ' ' B' ' 7' ' ' MET . 69.6 t -72.8 -26.27 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.437 -0.79 . . . . 0.0 110.03 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 21.8 m -77.95 -49.88 13.27 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.215 -0.928 . . . . 0.0 110.572 -179.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.473 ' HB3' ' CG1' ' A' ' 52' ' ' VAL . 0.5 OUTLIER -54.53 -46.64 73.6 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.011 -1.056 . . . . 0.0 110.545 -179.086 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.794 ' CG1' HG21 ' A' ' 56' ' ' VAL . 3.3 m -63.01 -40.29 88.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.053 -1.029 . . . . 0.0 110.315 -179.111 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.479 ' OG1' ' O ' ' A' ' 77' ' ' VAL . 0.2 OUTLIER -69.42 -10.12 56.59 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.927 -1.108 . . . . 0.0 109.419 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -113.0 -0.11 14.87 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.228 -0.92 . . . . 0.0 109.653 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.529 ' HB1' HG23 ' A' ' 53' ' ' VAL . . . -87.09 30.0 0.79 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.172 -0.955 . . . . 0.0 109.629 179.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 5.5 m -127.62 -176.92 3.9 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.157 -0.964 . . . . 0.0 109.542 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.608 ' CD2' ' HB2' ' A' ' 48' ' ' LYS . 2.4 m80 -104.9 -44.5 4.8 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.121 -0.987 . . . . 0.0 109.709 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.4 ' OE2' ' HG2' ' A' ' 91' ' ' GLU . 1.8 mp0 -103.15 81.24 1.93 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.202 -0.936 . . . . 0.0 109.631 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.429 ' O ' HG21 ' B' ' 11' ' ' ILE . 5.5 p90 -107.47 -6.75 16.87 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.158 -0.964 . . . . 0.0 109.669 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.533 ' CZ ' ' HB3' ' B' ' 14' ' ' PHE . 7.5 m-30 -97.09 -64.67 1.02 Allowed 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 179.283 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 178.3 -70.09 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.507 0 C-N-CA 119.969 -0.693 . . . . 0.0 109.751 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 8.8 p-80 -67.18 -164.38 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.296 -0.878 . . . . 0.0 109.776 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.4 ' HG2' ' OE2' ' A' ' 86' ' ' GLU . 63.7 mt-10 . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 117.965 -1.017 . . . . 0.0 109.504 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 2.6 mmt . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 3.7 p -78.63 -177.22 5.25 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.221 -0.924 . . . . 0.0 109.372 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.876 ' HB2' HG22 ' A' ' 13' ' ' VAL . 32.5 mm-40 -69.32 -38.75 78.35 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.345 -0.847 . . . . 0.0 109.631 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.801 HD22 ' CD1' ' A' ' 35' ' ' LEU . 7.6 tp -80.09 -50.07 10.85 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.34 -0.85 . . . . 0.0 109.967 -179.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.549 ' O ' ' CG2' ' B' ' 8' ' ' VAL . 61.4 tt0 -57.35 -42.01 81.19 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.066 -1.021 . . . . 0.0 109.905 -179.42 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.575 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 8.7 tptt -78.48 -38.46 40.9 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.77 -1.206 . . . . 0.0 109.763 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.623 ' CB ' ' HB3' ' A' ' 9' ' ' ALA . . . -80.29 -70.46 0.52 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.31 -0.869 . . . . 0.0 109.684 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . 0.833 ' SD ' HG12 ' A' ' 77' ' ' VAL . 8.2 tpt -40.56 -48.33 2.83 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 121.705 0.765 . . . . 0.0 109.891 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.549 ' CG2' ' O ' ' B' ' 4' ' ' GLU . 21.0 t -70.47 -38.53 74.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.592 0 O-C-N 121.31 -0.869 . . . . 0.0 109.957 -179.369 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.601 ' HB3' ' CB ' ' A' ' 6' ' ' ALA . . . -53.11 -44.34 67.57 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.968 -1.083 . . . . 0.0 108.927 179.591 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.794 HD22 ' CE ' ' B' ' 74' ' ' MET . 0.3 OUTLIER -54.36 -52.8 60.49 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 179.209 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.447 HD13 ' HA ' ' B' ' 11' ' ' ILE . 32.3 mm -49.61 -34.26 8.46 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 179.047 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -62.0 -45.35 94.01 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.398 -0.814 . . . . 0.0 109.335 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.892 HG22 ' HB2' ' A' ' 2' ' ' GLU . 53.7 t -46.92 -37.35 3.65 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.223 -0.923 . . . . 0.0 109.009 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 1.119 ' CZ ' HD23 ' B' ' 27' ' ' LEU . 2.1 t80 -62.53 -45.57 92.35 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.235 -0.916 . . . . 0.0 109.358 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 28.4 t60 -67.94 -7.22 26.7 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.249 -0.907 . . . . 0.0 109.568 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -92.88 -58.62 2.28 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.314 -0.866 . . . . 0.0 109.707 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -74.51 -60.86 2.08 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.274 -0.891 . . . . 0.0 109.53 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 3.8 t -68.81 -7.39 33.78 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.363 -0.836 . . . . 0.0 109.682 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.98 6.48 66.59 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.582 -1.407 . . . . 0.0 109.582 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -75.81 -100.36 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.212 -1.169 . . . . 0.0 109.36 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -161.98 -169.09 2.09 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.883 -1.135 . . . . 0.0 109.458 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.48 -90.34 0.23 Allowed Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.323 -1.511 . . . . 0.0 109.323 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.549 ' HB2' ' CG ' ' B' ' 26' ' ' LYS . 0.0 OUTLIER -105.85 97.67 7.46 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.25 -1.147 . . . . 0.0 109.296 179.681 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.467 ' O ' ' CB ' ' B' ' 25' ' ' HIS . 30.2 tttm -102.51 153.42 20.09 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.415 -0.803 . . . . 0.0 109.653 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . 0.515 ' NE2' ' CE2' ' B' ' 70' ' ' PHE . 13.1 t-160 74.23 4.4 4.53 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.204 -0.935 . . . . 0.0 109.601 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.549 ' CG ' ' HB2' ' B' ' 23' ' ' ASP . 9.5 ptmt -138.14 142.22 40.14 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.228 -0.92 . . . . 0.0 109.464 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 1.119 HD23 ' CZ ' ' B' ' 14' ' ' PHE . 0.4 OUTLIER -104.85 -165.62 1.15 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.204 -0.935 . . . . 0.0 109.455 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.524 ' CG ' ' O ' ' B' ' 66' ' ' GLY . 1.6 tttt -149.53 164.18 35.76 Favored 'General case' 0 N--CA 1.486 1.336 0 O-C-N 121.304 -0.873 . . . . 0.0 109.109 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.547 ' HE3' HG22 ' B' ' 59' ' ' THR . 3.6 mttp -76.73 -27.74 55.54 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.128 -0.982 . . . . 0.0 108.957 179.682 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 6.2 p -75.13 -38.21 61.11 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.269 -0.894 . . . . 0.0 109.363 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.504 ' O ' ' HG2' ' B' ' 34' ' ' GLU . 16.6 tt0 -85.82 -19.27 30.92 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.169 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.538 ' O ' HG13 ' B' ' 36' ' ' ILE . 11.0 tp -79.97 -31.94 39.85 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 107.295 -1.372 . . . . 0.0 107.295 178.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.573 ' HB2' HD22 ' B' ' 60' ' ' LEU . 0.4 OUTLIER -65.88 -43.5 88.11 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.104 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.54 ' HG3' ' N ' ' B' ' 35' ' ' LEU . 6.1 pt-20 -70.45 -41.91 72.18 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 107.918 -1.142 . . . . 0.0 107.918 179.267 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.755 ' CD1' HD22 ' A' ' 3' ' ' LEU . 0.1 OUTLIER -45.5 -43.22 11.5 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.49 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.538 HG13 ' O ' ' B' ' 32' ' ' LEU . 0.4 OUTLIER -79.36 -57.92 4.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.169 -0.957 . . . . 0.0 109.958 -179.862 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.495 ' O ' ' HB2' ' B' ' 41' ' ' SER . 15.7 t-20 -75.4 -61.27 1.96 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.285 -0.885 . . . . 0.0 110.623 -179.006 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.489 ' HB3' ' O ' ' B' ' 34' ' ' GLU . 2.1 t30 -50.89 -28.63 10.02 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.117 -0.989 . . . . 0.0 110.303 -178.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.505 ' HG2' ' HB3' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -101.94 -70.84 0.74 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.944 -1.098 . . . . 0.0 110.21 -179.637 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.784 ' HG ' HD23 ' A' ' 3' ' ' LEU . 83.7 mt -71.5 -99.62 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.134 -0.979 . . . . 0.0 109.967 -179.308 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.495 ' HB2' ' O ' ' B' ' 37' ' ' ASN . 7.2 t 58.01 16.27 3.66 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.997 -1.064 . . . . 0.0 109.692 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -86.05 -60.38 2.03 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.141 -0.974 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . 0.452 ' O ' ' O ' ' B' ' 44' ' ' LEU . 26.0 m-85 -62.35 -108.84 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.147 -0.97 . . . . 0.0 108.928 179.507 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.452 ' O ' ' O ' ' B' ' 43' ' ' PHE . 0.1 OUTLIER 39.86 92.66 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.085 -1.01 . . . . 0.0 110.225 179.52 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -114.15 -80.07 0.59 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.257 -0.902 . . . . 0.0 108.883 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.506 ' HG3' ' O ' ' B' ' 46' ' ' GLU . 1.8 tt0 -110.18 -17.82 13.45 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 179.347 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.56 HG23 HG21 ' B' ' 53' ' ' VAL . 16.0 mt 74.54 100.04 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.478 -0.764 . . . . 0.0 109.888 179.485 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.594 ' HB2' ' CD2' ' B' ' 85' ' ' HIS . 2.5 tttp -89.45 -44.48 10.12 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.295 -0.878 . . . . 0.0 108.777 179.472 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.641 ' OE1' HG23 ' B' ' 52' ' ' VAL . 6.8 mm-40 -83.67 69.36 10.14 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 179.392 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . 0.48 ' O ' ' HB2' ' B' ' 54' ' ' ASP . 0.8 OUTLIER -51.01 -23.84 3.28 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.337 -0.852 . . . . 0.0 109.539 -179.687 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.491 ' O ' ' HB2' ' B' ' 55' ' ' LYS . 2.5 tt0 -80.11 -36.46 35.36 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.298 -0.876 . . . . 0.0 110.051 -179.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.901 ' O ' HG22 ' B' ' 56' ' ' VAL . 33.0 t -72.08 -42.24 67.65 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.461 0 O-C-N 121.055 -1.028 . . . . 0.0 109.729 -179.505 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.56 HG21 HG23 ' B' ' 47' ' ' ILE . 87.2 t -78.85 -33.85 16.65 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.129 -0.982 . . . . 0.0 109.68 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . 0.535 ' O ' ' CG ' ' B' ' 58' ' ' GLU . 49.4 m-20 -78.8 -20.87 48.75 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.121 -0.987 . . . . 0.0 108.691 179.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.491 ' HB2' ' O ' ' B' ' 51' ' ' GLU . 23.9 tptp -80.32 -48.27 13.24 Favored 'General case' 0 N--CA 1.485 1.324 0 O-C-N 121.28 -0.888 . . . . 0.0 109.773 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.901 HG22 ' O ' ' B' ' 52' ' ' VAL . 6.1 m -74.88 -37.85 42.59 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.363 0 O-C-N 120.999 -1.063 . . . . 0.0 109.431 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 52.1 tpp -73.11 -23.1 60.46 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.471 -0.768 . . . . 0.0 109.203 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . 0.535 ' CG ' ' O ' ' B' ' 54' ' ' ASP . 22.7 mt-10 -77.72 -47.2 19.67 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 119.218 -0.993 . . . . 0.0 108.895 179.437 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . 0.547 HG22 ' HE3' ' B' ' 29' ' ' LYS . 4.2 m -66.47 -21.21 66.19 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 178.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.573 HD22 ' HB2' ' B' ' 33' ' ' LYS . 12.4 mt -74.74 -58.98 2.94 Favored 'General case' 0 N--CA 1.487 1.424 0 CA-C-O 121.671 0.748 . . . . 0.0 109.101 179.414 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.02 -4.89 46.5 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.609 -0.682 . . . . 0.0 109.476 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.45 ' HB2' ' O ' ' B' ' 58' ' ' GLU . 52.9 tt0 -80.27 -54.51 5.66 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.286 -0.884 . . . . 0.0 109.689 -179.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.507 ' O ' ' HD3' ' B' ' 29' ' ' LYS . 1.1 t0 -127.99 47.57 2.39 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.415 -0.803 . . . . 0.0 109.996 -179.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . 0.505 ' HA2' ' HB2' ' B' ' 29' ' ' LYS . . . -39.35 -29.31 0.12 Allowed Glycine 0 N--CA 1.492 2.42 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 179.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' B' ' 63' ' ' ASP . 27.6 t70 -92.97 42.46 1.1 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.343 -1.092 . . . . 0.0 109.396 179.587 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.524 ' O ' ' CG ' ' B' ' 28' ' ' LYS . . . -120.44 175.32 15.94 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -115.25 152.89 31.89 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.15 -1.206 . . . . 0.0 110.121 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.94 -171.52 2.59 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.382 -0.824 . . . . 0.0 109.189 179.697 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -121.99 174.56 6.83 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.183 -0.948 . . . . 0.0 109.238 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.579 ' HA ' ' CE2' ' B' ' 14' ' ' PHE . 6.8 p90 -72.22 -32.19 66.52 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.206 -0.934 . . . . 0.0 109.207 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.486 ' HG3' ' N ' ' B' ' 72' ' ' GLU . 0.0 OUTLIER -79.87 -29.8 40.07 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.194 -0.941 . . . . 0.0 109.246 179.703 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.486 ' N ' ' HG3' ' B' ' 71' ' ' GLN . 0.6 OUTLIER -72.32 -58.44 3.4 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.299 -0.875 . . . . 0.0 108.728 179.508 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.704 ' O ' HG23 ' B' ' 77' ' ' VAL . 0.0 OUTLIER -57.58 -24.99 59.29 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 179.134 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.794 ' CE ' HD22 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -69.22 -54.7 13.41 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.561 -0.712 . . . . 0.0 109.576 -179.809 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.466 ' O ' ' HG3' ' B' ' 79' ' ' MET . . . -69.15 -15.95 63.53 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.252 -0.905 . . . . 0.0 109.018 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.645 ' O ' HG22 ' B' ' 80' ' ' VAL . 1.4 m-85 -80.0 -37.8 33.45 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.427 -0.796 . . . . 0.0 109.256 179.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.842 HG12 ' SD ' ' A' ' 7' ' ' MET . 68.5 t -72.77 -26.25 23.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.384 -0.823 . . . . 0.0 109.905 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 21.5 m -77.97 -50.04 12.92 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.205 -0.935 . . . . 0.0 110.622 -179.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . 0.471 ' HB3' ' CG1' ' B' ' 52' ' ' VAL . 0.5 OUTLIER -54.42 -46.47 73.19 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.067 -1.02 . . . . 0.0 110.552 -179.12 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.787 ' CG1' HG21 ' B' ' 56' ' ' VAL . 3.3 m -63.03 -40.46 89.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.104 -0.998 . . . . 0.0 110.38 -179.15 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.468 ' OG1' ' O ' ' B' ' 77' ' ' VAL . 0.2 OUTLIER -69.43 -10.07 56.38 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.911 -1.118 . . . . 0.0 109.356 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -113.03 -0.06 14.86 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.241 -0.912 . . . . 0.0 109.606 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.532 ' HB1' HG23 ' B' ' 53' ' ' VAL . . . -87.28 30.11 0.81 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.136 -0.978 . . . . 0.0 109.61 179.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 5.4 m -127.56 -176.87 3.88 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.137 -0.977 . . . . 0.0 109.518 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . 0.594 ' CD2' ' HB2' ' B' ' 48' ' ' LYS . 2.5 m80 -105.03 -44.5 4.78 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.118 -0.989 . . . . 0.0 109.555 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -103.06 81.02 1.92 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.314 -0.866 . . . . 0.0 109.615 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . 0.432 ' HE1' ' CZ ' ' B' ' 88' ' ' PHE . 5.6 p90 -107.34 -6.65 17.04 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.183 -0.948 . . . . 0.0 109.733 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.481 ' CZ ' ' HB3' ' A' ' 14' ' ' PHE . 7.5 m-30 -97.21 -64.58 1.03 Allowed 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 108.172 -1.048 . . . . 0.0 108.172 179.302 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 178.18 -70.02 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.541 -0.725 . . . . 0.0 109.812 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 8.8 p-80 -67.32 -164.32 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.369 -0.832 . . . . 0.0 109.89 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 . . . . . 0 N--CA 1.489 1.52 0 CA-C-O 118.018 -0.991 . . . . 0.0 109.475 -179.886 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.608 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.496 ' OG ' ' HB3' ' A' ' 4' ' ' GLU . 93.4 p -135.93 172.29 13.23 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.247 -0.908 . . . . 0.0 109.69 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.821 ' HB2' HG22 ' B' ' 13' ' ' VAL . 46.6 mm-40 -80.44 -36.0 34.22 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.417 -0.802 . . . . 0.0 109.703 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.689 HD11 HD21 ' B' ' 10' ' ' LEU . 7.0 tp -76.84 -49.39 15.86 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.349 -0.844 . . . . 0.0 110.425 -178.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.539 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 2.6 tm-20 -57.76 -37.32 73.43 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 120.915 -1.115 . . . . 0.0 110.409 -178.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.78 -53.62 6.34 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.823 -1.173 . . . . 0.0 110.471 -179.213 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.62 ' HB1' ' HB3' ' B' ' 9' ' ' ALA . . . -67.11 -58.11 5.5 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.156 -0.965 . . . . 0.0 110.42 -179.032 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.665 ' SD ' HD11 ' B' ' 10' ' ' LEU . 11.3 tpt -51.02 -55.7 16.15 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.334 -0.854 . . . . 0.0 110.112 -179.254 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.539 ' CG2' ' O ' ' A' ' 4' ' ' GLU . 21.6 t -61.29 -30.46 47.97 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.579 0 O-C-N 121.337 -0.852 . . . . 0.0 109.904 -179.175 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.614 ' HB3' ' HB1' ' B' ' 6' ' ' ALA . . . -61.09 -45.78 93.3 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.999 -1.063 . . . . 0.0 108.88 179.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.769 HD13 ' CE ' ' A' ' 74' ' ' MET . 0.2 OUTLIER -51.65 -41.0 61.01 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.304 -0.873 . . . . 0.0 108.691 179.589 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.593 ' N ' HD12 ' A' ' 11' ' ' ILE . 1.5 mp -58.22 -41.21 80.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 179.229 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -53.45 -53.05 56.94 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.415 -0.803 . . . . 0.0 109.036 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.824 HG22 ' HB2' ' B' ' 2' ' ' GLU . 52.9 t -45.76 -35.36 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.351 -0.843 . . . . 0.0 109.4 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.969 ' CZ ' HD23 ' A' ' 27' ' ' LEU . 20.2 t80 -60.14 -50.27 74.35 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.246 -0.909 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -77.4 1.65 18.4 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.216 -0.928 . . . . 0.0 109.458 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.462 ' HB2' ' HA ' ' A' ' 13' ' ' VAL . 2.9 tp60 -76.41 -51.38 11.95 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 179.42 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.992 ' CE1' HD21 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -137.43 67.01 1.44 Allowed 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.432 -0.792 . . . . 0.0 109.572 179.109 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.3 t -126.81 -35.81 2.27 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.252 -0.905 . . . . 0.0 108.999 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -96.92 -18.58 29.14 Favored Glycine 0 N--CA 1.488 2.115 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 46.8 mtp85 -77.73 -45.87 23.46 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.289 -1.124 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -81.11 -72.97 0.4 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.445 -0.784 . . . . 0.0 109.253 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.21 -127.39 0.09 OUTLIER Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.326 -1.51 . . . . 0.0 109.326 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.489 ' O ' ' HB2' ' A' ' 24' ' ' LYS . 27.1 t0 -113.9 -60.36 1.89 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.179 -1.189 . . . . 0.0 109.475 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.519 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 28.1 ttpt 166.59 144.99 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.324 -0.86 . . . . 0.0 109.325 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.629 ' O ' ' CG ' ' A' ' 25' ' ' HIS . 9.0 t-80 64.72 12.72 7.85 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.326 -0.859 . . . . 0.0 109.733 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.624 ' O ' HD22 ' A' ' 27' ' ' LEU . 7.8 mttt -140.03 168.95 18.63 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.575 -1.328 . . . . 0.0 109.906 179.434 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.969 HD23 ' CZ ' ' A' ' 14' ' ' PHE . 0.6 OUTLIER -131.91 -165.18 1.55 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.465 -0.772 . . . . 0.0 109.098 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.436 ' HA ' ' O ' ' A' ' 66' ' ' GLY . 0.0 OUTLIER -150.02 169.89 20.15 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.205 -0.935 . . . . 0.0 109.78 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.498 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 6.4 mmtt -79.58 -25.78 41.46 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.346 -0.846 . . . . 0.0 109.327 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.01 -38.06 32.87 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.256 -0.903 . . . . 0.0 109.505 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.49 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 10.6 tt0 -83.76 -20.07 34.0 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 179.284 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.526 ' O ' HG13 ' A' ' 36' ' ' ILE . 24.9 tp -80.98 -37.98 28.38 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 178.581 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.642 ' HB2' HD22 ' A' ' 60' ' ' LEU . 3.0 tttt -64.33 -34.24 77.68 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 179.443 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.535 ' HG3' ' N ' ' A' ' 35' ' ' LEU . 8.5 pt-20 -80.25 -42.24 23.55 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 179.511 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.992 HD21 ' CE1' ' A' ' 17' ' ' TYR . 0.1 OUTLIER -45.16 -50.83 11.09 Favored 'General case' 0 C--N 1.295 -1.798 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 179.687 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 1.129 ' CG2' HG21 ' A' ' 80' ' ' VAL . 0.2 OUTLIER -78.8 -49.86 19.7 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 O-C-N 121.412 -0.805 . . . . 0.0 109.915 -179.735 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.554 ' O ' ' CB ' ' A' ' 41' ' ' SER . 15.6 t-20 -72.61 -68.26 0.49 Allowed 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.299 -0.876 . . . . 0.0 110.085 -179.21 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.529 ' HB3' ' O ' ' A' ' 34' ' ' GLU . 0.7 OUTLIER -43.89 -23.2 0.08 Allowed 'General case' 0 C--N 1.3 -1.585 0 O-C-N 120.919 -1.113 . . . . 0.0 110.334 -179.478 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.465 ' HB2' ' O ' ' A' ' 35' ' ' LEU . 18.4 mm-40 -109.11 -76.39 0.61 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.722 -1.236 . . . . 0.0 111.72 -178.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.583 HD23 ' N ' ' A' ' 40' ' ' LEU . 4.5 mt -66.85 -12.48 59.29 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.921 -1.112 . . . . 0.0 112.041 -177.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.554 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 47.2 t -55.92 -40.42 73.06 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.543 -1.348 . . . . 0.0 109.917 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.2 m170 -61.1 -28.28 68.97 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.042 -1.036 . . . . 0.0 109.8 -179.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.56 ' O ' ' CG ' ' A' ' 43' ' ' PHE . 18.1 t80 -102.79 1.85 34.76 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.286 -0.884 . . . . 0.0 109.897 -179.532 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.688 HD21 HD11 ' A' ' 47' ' ' ILE . 1.2 tt -113.57 128.56 56.48 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.07 -1.019 . . . . 0.0 109.757 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -165.73 24.42 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.303 -0.873 . . . . 0.0 109.676 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.471 ' OE1' ' HA ' ' A' ' 46' ' ' GLU . 5.1 mm-40 -133.82 -54.15 0.87 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.265 -0.897 . . . . 0.0 108.884 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.688 HD11 HD21 ' A' ' 44' ' ' LEU . 5.9 mt 54.06 96.43 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.335 -0.853 . . . . 0.0 109.83 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.496 ' HG3' ' ND1' ' A' ' 85' ' ' HIS . 0.0 OUTLIER -95.26 -33.17 12.67 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.176 -0.952 . . . . 0.0 109.018 179.403 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.503 ' OE1' HG23 ' A' ' 52' ' ' VAL . 2.7 mm-40 -89.11 68.48 8.23 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.289 -0.882 . . . . 0.0 109.195 179.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.529 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 3.6 tp60 -43.78 -26.74 0.27 Allowed 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.247 -0.908 . . . . 0.0 109.536 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 49' ' ' GLU . 4.6 tt0 -76.13 -44.87 36.45 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.202 -0.936 . . . . 0.0 109.823 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.503 HG23 ' OE1' ' A' ' 49' ' ' GLU . 96.9 t -61.19 -55.25 25.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.225 -0.922 . . . . 0.0 109.736 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.546 HG21 HG12 ' A' ' 47' ' ' ILE . 74.5 t -66.88 -29.16 45.38 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.242 -0.911 . . . . 0.0 109.782 -179.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.529 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 14.2 t70 -75.89 -21.89 56.67 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.085 -1.009 . . . . 0.0 109.154 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -81.16 -51.64 8.22 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.134 -0.979 . . . . 0.0 109.649 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.597 ' HA ' ' CE2' ' A' ' 76' ' ' PHE . 35.8 m -69.17 -47.08 76.44 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.302 0 O-C-N 121.068 -1.02 . . . . 0.0 108.756 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.595 ' N ' HG23 ' A' ' 56' ' ' VAL . 28.8 tpp -62.95 -20.03 64.84 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 178.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.521 ' CG ' ' O ' ' A' ' 54' ' ' ASP . 2.7 mt-10 -72.46 -57.56 4.07 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.494 -0.754 . . . . 0.0 109.588 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.466 ' O ' ' HB3' ' A' ' 62' ' ' GLU . 0.2 OUTLIER -58.87 -38.71 79.42 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.465 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.642 HD22 ' HB2' ' A' ' 33' ' ' LYS . 12.0 mt -55.06 -55.38 31.67 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 179.239 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.81 -2.04 45.54 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.466 -0.771 . . . . 0.0 109.386 179.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.466 ' HB3' ' O ' ' A' ' 59' ' ' THR . 40.1 tt0 -68.2 -32.37 72.54 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.129 -0.982 . . . . 0.0 109.178 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -150.51 -48.66 0.13 Allowed 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.33 -0.857 . . . . 0.0 109.637 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.45 ' C ' ' HB2' ' A' ' 29' ' ' LYS . . . 88.23 -19.3 36.01 Favored Glycine 0 N--CA 1.489 2.224 0 N-CA-C 109.463 -1.455 . . . . 0.0 109.463 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -121.54 83.41 2.08 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.351 -1.088 . . . . 0.0 109.346 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.436 ' O ' ' HA ' ' A' ' 28' ' ' LYS . . . -143.39 -177.36 18.27 Favored Glycine 0 N--CA 1.488 2.111 0 N-CA-C 109.531 -1.428 . . . . 0.0 109.531 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -121.86 127.47 50.54 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.311 -1.111 . . . . 0.0 109.46 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 49.5 m -109.78 168.45 9.41 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.284 -0.885 . . . . 0.0 109.848 -179.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -99.25 -170.35 1.9 Allowed 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.232 -0.917 . . . . 0.0 109.001 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.611 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 3.4 p90 -84.47 -36.81 22.02 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.105 -0.997 . . . . 0.0 109.593 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.604 ' HG2' ' CD2' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -81.12 -13.78 58.34 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.867 -1.146 . . . . 0.0 108.978 179.077 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.456 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 1.5 mm-40 -78.35 -48.4 15.66 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.313 -0.867 . . . . 0.0 108.701 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.588 ' CE1' ' HG ' ' A' ' 35' ' ' LEU . 0.3 OUTLIER -68.73 -29.97 68.5 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.276 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.769 ' CE ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -74.15 -45.78 46.55 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.366 -0.834 . . . . 0.0 109.528 -179.761 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.532 ' O ' ' CG ' ' A' ' 79' ' ' MET . . . -72.03 -18.39 61.96 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.416 -0.803 . . . . 0.0 108.957 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.597 ' CE2' ' HA ' ' A' ' 56' ' ' VAL . 0.2 OUTLIER -80.06 -37.94 32.86 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.421 -0.8 . . . . 0.0 109.609 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.71 HG12 ' HE2' ' B' ' 7' ' ' MET . 98.6 t -70.19 -27.0 30.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.224 -0.923 . . . . 0.0 109.51 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.654 ' O ' HG23 ' A' ' 82' ' ' THR . 15.8 m -76.05 -26.09 56.24 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.188 -0.945 . . . . 0.0 109.671 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.532 ' CG ' ' O ' ' A' ' 75' ' ' ALA . 5.2 mtp -69.44 -50.61 44.09 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.276 -0.89 . . . . 0.0 109.142 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 1.129 HG21 ' CG2' ' A' ' 36' ' ' ILE . 12.0 m -70.54 -40.97 77.92 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.361 0 O-C-N 121.386 -0.822 . . . . 0.0 109.95 -179.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.507 ' OG1' ' CD1' ' A' ' 40' ' ' LEU . 22.1 m -67.43 -9.99 47.08 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.132 -0.98 . . . . 0.0 109.046 179.343 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.654 HG23 ' O ' ' A' ' 78' ' ' SER . 74.2 p -115.12 -11.79 12.0 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.376 -0.828 . . . . 0.0 109.353 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.488 ' O ' ' HA ' ' A' ' 47' ' ' ILE . . . -86.91 54.79 3.3 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.322 -0.861 . . . . 0.0 109.337 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 72.8 m -123.56 173.67 7.91 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.286 -0.884 . . . . 0.0 109.511 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.496 ' ND1' ' HG3' ' A' ' 48' ' ' LYS . 2.4 t60 -99.25 148.61 23.95 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.358 -0.839 . . . . 0.0 109.165 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.455 ' OE2' ' CD2' ' A' ' 85' ' ' HIS . 1.3 mt-10 51.72 66.32 1.23 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.196 -0.94 . . . . 0.0 109.331 -179.72 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.3 t80 46.74 -159.16 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.308 -0.87 . . . . 0.0 109.763 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.489 ' CE1' ' HA ' ' A' ' 82' ' ' THR . 0.1 OUTLIER -145.28 102.91 3.79 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.323 -0.86 . . . . 0.0 109.225 -179.685 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -149.07 -80.96 0.12 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.26 -0.9 . . . . 0.0 109.798 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -148.62 61.16 1.08 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.316 -0.865 . . . . 0.0 109.422 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 . . . . . 0 N--CA 1.488 1.44 0 CA-C-O 117.932 -1.032 . . . . 0.0 109.404 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . 0.501 ' OG ' ' HB3' ' B' ' 4' ' ' GLU . 93.4 p -136.06 172.3 13.21 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.143 -0.973 . . . . 0.0 109.643 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.824 ' HB2' HG22 ' A' ' 13' ' ' VAL . 46.3 mm-40 -80.44 -36.01 34.2 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.399 -0.813 . . . . 0.0 109.792 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.674 HD11 HD21 ' A' ' 10' ' ' LEU . 7.0 tp -76.78 -49.41 15.97 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.371 -0.831 . . . . 0.0 110.416 -179.008 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.542 ' O ' ' CG2' ' B' ' 8' ' ' VAL . 2.6 tm-20 -57.74 -37.36 73.45 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 120.923 -1.111 . . . . 0.0 110.462 -178.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.75 -53.64 6.33 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.863 -1.148 . . . . 0.0 110.462 -179.247 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.614 ' HB1' ' HB3' ' A' ' 9' ' ' ALA . . . -67.04 -58.21 5.36 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.078 -1.014 . . . . 0.0 110.487 -179.023 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . 0.71 ' HE2' HG12 ' A' ' 77' ' ' VAL . 11.4 tpt -50.89 -55.71 15.78 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.282 -0.887 . . . . 0.0 110.124 -179.312 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.542 ' CG2' ' O ' ' B' ' 4' ' ' GLU . 21.6 t -61.32 -30.47 48.01 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 O-C-N 121.319 -0.863 . . . . 0.0 110.0 -179.195 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.62 ' HB3' ' HB1' ' A' ' 6' ' ' ALA . . . -61.16 -45.73 93.45 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.888 -1.132 . . . . 0.0 108.934 179.414 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.778 HD13 ' CE ' ' B' ' 74' ' ' MET . 0.2 OUTLIER -51.58 -41.11 60.93 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.272 -0.892 . . . . 0.0 108.628 179.514 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.605 ' N ' HD12 ' B' ' 11' ' ' ILE . 1.5 mp -58.04 -41.41 80.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 N-CA-C 108.555 -0.905 . . . . 0.0 108.555 179.158 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -53.3 -53.01 57.12 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.471 -0.768 . . . . 0.0 109.066 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.821 HG22 ' HB2' ' A' ' 2' ' ' GLU . 53.2 t -45.83 -35.4 2.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.339 -0.851 . . . . 0.0 109.399 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.975 ' CZ ' HD23 ' B' ' 27' ' ' LEU . 20.3 t80 -60.11 -50.3 74.25 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.196 -0.94 . . . . 0.0 109.223 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -77.31 1.54 18.46 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.345 -0.847 . . . . 0.0 109.543 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.455 ' HB2' ' HA ' ' B' ' 13' ' ' VAL . 2.9 tp60 -76.4 -51.29 12.15 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 179.383 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.98 ' CE1' HD21 ' B' ' 35' ' ' LEU . 0.1 OUTLIER -137.42 66.94 1.44 Allowed 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.433 -0.792 . . . . 0.0 109.506 179.177 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 8.4 t -126.79 -35.84 2.27 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.391 -0.818 . . . . 0.0 109.047 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -96.89 -18.58 29.19 Favored Glycine 0 N--CA 1.488 2.108 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 47.0 mtp85 -77.69 -45.81 23.79 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.269 -1.136 . . . . 0.0 109.422 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -81.22 -72.86 0.4 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.355 -0.841 . . . . 0.0 109.28 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.27 -127.38 0.09 OUTLIER Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.265 -1.534 . . . . 0.0 109.265 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.492 ' O ' ' HB2' ' B' ' 24' ' ' LYS . 27.2 t0 -113.91 -60.34 1.9 Allowed 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.2 -1.177 . . . . 0.0 109.507 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.527 ' O ' ' HG3' ' B' ' 26' ' ' LYS . 28.2 ttpt 166.62 144.99 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.388 -0.82 . . . . 0.0 109.28 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . 0.629 ' O ' ' CG ' ' B' ' 25' ' ' HIS . 9.0 t-80 64.68 12.76 7.84 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.394 -0.816 . . . . 0.0 109.723 179.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.623 ' O ' HD22 ' B' ' 27' ' ' LEU . 7.7 mttt -140.02 168.98 18.56 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.539 -1.35 . . . . 0.0 109.95 179.434 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.975 HD23 ' CZ ' ' B' ' 14' ' ' PHE . 0.6 OUTLIER -131.96 -165.2 1.55 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.491 -0.756 . . . . 0.0 109.153 179.891 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.436 ' HA ' ' O ' ' B' ' 66' ' ' GLY . 0.0 OUTLIER -149.99 169.97 19.94 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.113 -0.992 . . . . 0.0 109.788 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.485 ' O ' ' HB2' ' B' ' 33' ' ' LYS . 6.4 mmtt -79.66 -25.74 41.22 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.275 -0.891 . . . . 0.0 109.254 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.96 -38.15 32.88 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.362 -0.836 . . . . 0.0 109.519 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.499 ' O ' ' HG2' ' B' ' 34' ' ' GLU . 10.6 tt0 -83.75 -19.97 34.2 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 179.335 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.522 ' O ' HG13 ' B' ' 36' ' ' ILE . 24.7 tp -81.08 -38.02 28.01 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 178.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.642 ' HB2' HD22 ' B' ' 60' ' ' LEU . 3.1 tttt -64.21 -34.19 77.53 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 179.5 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.55 ' HG3' ' N ' ' B' ' 35' ' ' LEU . 8.4 pt-20 -80.35 -42.32 23.13 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 179.561 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.98 HD21 ' CE1' ' B' ' 17' ' ' TYR . 0.1 OUTLIER -45.05 -50.78 10.67 Favored 'General case' 0 C--N 1.295 -1.792 0 CA-C-O 121.432 0.634 . . . . 0.0 109.303 179.603 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 1.124 ' CG2' HG21 ' B' ' 80' ' ' VAL . 0.2 OUTLIER -78.88 -49.77 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.308 -0.87 . . . . 0.0 109.961 -179.764 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.557 ' O ' ' CB ' ' B' ' 41' ' ' SER . 15.7 t-20 -72.65 -68.39 0.48 Allowed 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.317 -0.865 . . . . 0.0 109.901 -179.167 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.523 ' HB3' ' O ' ' B' ' 34' ' ' GLU . 0.7 OUTLIER -43.8 -23.13 0.07 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.81 -1.181 . . . . 0.0 110.447 -179.46 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.465 ' HB2' ' O ' ' B' ' 35' ' ' LEU . 18.3 mm-40 -109.2 -76.37 0.61 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.735 -1.228 . . . . 0.0 111.709 -178.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.579 HD23 ' N ' ' B' ' 40' ' ' LEU . 4.5 mt -66.89 -12.52 59.62 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.904 -1.122 . . . . 0.0 112.027 -177.606 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.557 ' CB ' ' O ' ' B' ' 37' ' ' ASN . 46.9 t -55.91 -40.38 72.98 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.652 -1.28 . . . . 0.0 109.881 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 1.3 m170 -61.1 -28.34 69.02 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.147 -0.971 . . . . 0.0 109.852 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . 0.565 ' O ' ' CG ' ' B' ' 43' ' ' PHE . 18.1 t80 -102.76 1.79 34.76 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.247 -0.908 . . . . 0.0 109.948 -179.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.68 HD21 HD11 ' B' ' 47' ' ' ILE . 1.2 tt -113.53 128.61 56.5 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.169 -0.957 . . . . 0.0 109.868 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -165.78 24.54 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.27 -0.894 . . . . 0.0 109.645 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.463 ' HA ' ' OE1' ' B' ' 46' ' ' GLU . 5.1 mm-40 -133.78 -53.96 0.87 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.208 -0.932 . . . . 0.0 109.016 179.729 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.68 HD11 HD21 ' B' ' 44' ' ' LEU . 5.9 mt 53.92 96.38 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 O-C-N 121.361 -0.837 . . . . 0.0 109.92 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.495 ' HG3' ' ND1' ' B' ' 85' ' ' HIS . 0.0 OUTLIER -95.26 -33.09 12.7 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.293 -0.879 . . . . 0.0 108.994 179.484 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.492 ' OE1' HG23 ' B' ' 52' ' ' VAL . 2.7 mm-40 -89.17 68.59 8.18 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.33 -0.856 . . . . 0.0 109.123 179.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . 0.521 ' O ' ' CB ' ' B' ' 54' ' ' ASP . 3.6 tp60 -43.87 -26.65 0.28 Allowed 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.31 -0.869 . . . . 0.0 109.626 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' B' ' 49' ' ' GLU . 4.6 tt0 -76.14 -44.92 36.08 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.283 -0.886 . . . . 0.0 109.73 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.492 HG23 ' OE1' ' B' ' 49' ' ' GLU . 96.9 t -61.22 -55.24 25.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.133 -0.979 . . . . 0.0 109.707 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.543 HG21 HG12 ' B' ' 47' ' ' ILE . 75.1 t -66.94 -29.17 45.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.302 -0.874 . . . . 0.0 109.721 -179.617 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . 0.532 ' O ' ' CG ' ' B' ' 58' ' ' GLU . 14.3 t70 -75.89 -21.8 56.77 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.22 -0.925 . . . . 0.0 109.137 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -81.14 -51.68 8.19 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.309 -0.869 . . . . 0.0 109.74 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.596 ' HA ' ' CE2' ' B' ' 76' ' ' PHE . 35.8 m -69.09 -47.16 76.55 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.228 0 O-C-N 121.046 -1.034 . . . . 0.0 108.704 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.587 ' N ' HG23 ' B' ' 56' ' ' VAL . 28.8 tpp -63.01 -19.93 64.83 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . 0.532 ' CG ' ' O ' ' B' ' 54' ' ' ASP . 2.7 mt-10 -72.45 -57.51 4.12 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.429 -0.794 . . . . 0.0 109.572 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . 0.461 ' O ' ' HB3' ' B' ' 62' ' ' GLU . 0.2 OUTLIER -58.96 -38.68 79.63 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 179.468 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.642 HD22 ' HB2' ' B' ' 33' ' ' LYS . 12.0 mt -55.08 -55.34 32.17 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 179.313 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.9 -1.96 45.56 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.444 -0.785 . . . . 0.0 109.394 179.641 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.461 ' HB3' ' O ' ' B' ' 59' ' ' THR . 40.1 tt0 -68.36 -32.28 72.27 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.093 -1.005 . . . . 0.0 109.127 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -150.51 -48.7 0.13 Allowed 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.35 -0.844 . . . . 0.0 109.662 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . 0.453 ' C ' ' HB2' ' B' ' 29' ' ' LYS . . . 88.3 -19.33 36.13 Favored Glycine 0 N--CA 1.489 2.208 0 N-CA-C 109.489 -1.445 . . . . 0.0 109.489 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -121.53 83.54 2.1 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.29 -1.123 . . . . 0.0 109.36 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.436 ' O ' ' HA ' ' B' ' 28' ' ' LYS . . . -143.49 -177.44 18.43 Favored Glycine 0 N--CA 1.486 1.981 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -121.74 127.62 50.87 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.159 -1.2 . . . . 0.0 109.453 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 48.7 m -109.97 168.46 9.41 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.339 -0.851 . . . . 0.0 109.806 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -99.25 -170.19 1.88 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.258 -0.901 . . . . 0.0 109.085 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.61 ' HA ' ' CE2' ' B' ' 14' ' ' PHE . 3.4 p90 -84.57 -36.8 21.86 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.06 -1.025 . . . . 0.0 109.536 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.609 ' HG2' ' CD2' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -81.16 -13.87 58.2 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.864 -1.148 . . . . 0.0 109.002 179.048 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.46 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 1.6 mm-40 -78.23 -48.41 15.84 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.303 -0.873 . . . . 0.0 108.746 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.585 ' CE1' ' HG ' ' B' ' 35' ' ' LEU . 0.3 OUTLIER -68.7 -29.92 68.46 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 179.212 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.778 ' CE ' HD13 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -74.2 -45.78 46.12 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.374 -0.829 . . . . 0.0 109.414 -179.759 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.52 ' O ' ' CG ' ' B' ' 79' ' ' MET . . . -72.25 -18.22 61.84 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.29 -0.881 . . . . 0.0 109.032 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.596 ' CE2' ' HA ' ' B' ' 56' ' ' VAL . 0.2 OUTLIER -80.09 -37.94 32.7 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.42 -0.8 . . . . 0.0 109.567 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.662 HG12 ' HE2' ' A' ' 7' ' ' MET . 98.7 t -70.22 -26.91 30.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.247 -0.908 . . . . 0.0 109.597 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . 0.66 ' O ' HG23 ' B' ' 82' ' ' THR . 15.9 m -76.13 -26.02 55.94 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.207 -0.933 . . . . 0.0 109.631 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . 0.52 ' CG ' ' O ' ' B' ' 75' ' ' ALA . 5.2 mtp -69.49 -50.59 43.85 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.29 -0.881 . . . . 0.0 109.166 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 1.124 HG21 ' CG2' ' B' ' 36' ' ' ILE . 11.9 m -70.57 -41.04 77.92 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.452 0 O-C-N 121.439 -0.788 . . . . 0.0 109.862 -179.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.523 ' OG1' ' CD1' ' B' ' 40' ' ' LEU . 22.3 m -67.41 -10.1 48.04 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.109 -0.994 . . . . 0.0 108.945 179.476 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.66 HG23 ' O ' ' B' ' 78' ' ' SER . 72.7 p -115.06 -11.77 12.05 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.333 -0.855 . . . . 0.0 109.371 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.494 ' O ' ' HA ' ' B' ' 47' ' ' ILE . . . -86.85 54.71 3.27 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.286 -0.884 . . . . 0.0 109.393 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 72.8 m -123.51 173.69 7.87 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.402 -0.811 . . . . 0.0 109.486 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . 0.495 ' ND1' ' HG3' ' B' ' 48' ' ' LYS . 2.4 t60 -99.15 148.66 23.86 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.302 -0.874 . . . . 0.0 109.046 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . 0.44 ' OE2' ' CD2' ' B' ' 85' ' ' HIS . 1.3 mt-10 51.6 66.38 1.21 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.279 -0.888 . . . . 0.0 109.465 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 1.3 t80 46.68 -159.13 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.32 -0.862 . . . . 0.0 109.782 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.491 ' CE1' ' HA ' ' B' ' 82' ' ' THR . 0.1 OUTLIER -145.39 102.9 3.77 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.468 -0.77 . . . . 0.0 109.174 -179.627 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -149.09 -80.97 0.12 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.161 -0.962 . . . . 0.0 109.778 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -148.62 61.23 1.08 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.261 -0.899 . . . . 0.0 109.499 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 . . . . . 0 N--CA 1.489 1.489 0 CA-C-O 117.982 -1.009 . . . . 0.0 109.389 179.983 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.461 ' O ' ' HB3' ' A' ' 5' ' ' LYS . 1.0 OUTLIER -102.87 -169.08 1.61 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.273 -0.892 . . . . 0.0 109.461 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.535 ' HB3' HG22 ' B' ' 13' ' ' VAL . 0.1 OUTLIER -80.24 -63.12 1.48 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.165 -0.959 . . . . 0.0 109.899 -179.844 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.616 HD23 ' HG ' ' B' ' 40' ' ' LEU . 6.2 tp -70.73 -50.83 32.03 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.324 -0.86 . . . . 0.0 109.829 -179.591 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.542 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 12.8 tm-20 -51.16 -36.97 43.73 Favored 'General case' 0 C--N 1.295 -1.776 0 O-C-N 121.283 -0.886 . . . . 0.0 110.313 -178.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.69 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.1 OUTLIER -81.07 -37.82 28.37 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.785 -1.197 . . . . 0.0 109.798 -179.73 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.58 ' HB1' ' HB3' ' B' ' 9' ' ' ALA . . . -80.42 -69.18 0.61 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.23 -0.918 . . . . 0.0 109.822 -179.682 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 1.023 ' HE2' HG12 ' B' ' 77' ' ' VAL . 1.2 tpt -42.52 -51.99 4.88 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.267 -0.896 . . . . 0.0 109.585 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.542 ' CG2' ' O ' ' A' ' 4' ' ' GLU . 17.9 t -66.05 -36.2 76.9 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 O-C-N 121.418 -0.801 . . . . 0.0 109.245 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.69 ' HB2' ' O ' ' A' ' 5' ' ' LYS . . . -52.64 -40.43 62.77 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.066 -1.021 . . . . 0.0 108.431 179.139 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.714 HD22 ' CE ' ' A' ' 74' ' ' MET . 0.8 OUTLIER -56.12 -45.61 79.47 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 178.858 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.574 HG23 ' CE1' ' B' ' 88' ' ' PHE . 1.2 mt -52.47 -36.24 21.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 178.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -58.65 -56.32 23.65 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.403 -0.811 . . . . 0.0 109.808 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.568 HG22 ' HB3' ' B' ' 2' ' ' GLU . 76.9 t -46.42 -32.11 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.169 -0.957 . . . . 0.0 109.636 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.982 ' CZ ' HD23 ' A' ' 27' ' ' LEU . 32.2 t80 -62.65 -47.69 82.6 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.118 -0.989 . . . . 0.0 109.696 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.445 ' O ' ' CG ' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -75.31 -2.76 29.77 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.189 -0.945 . . . . 0.0 109.262 -179.761 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.86 -32.05 12.29 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.237 -0.914 . . . . 0.0 109.143 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.48 ' CD2' ' CD2' ' A' ' 35' ' ' LEU . 3.4 m-30 -102.9 -57.1 2.1 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.375 -0.828 . . . . 0.0 109.243 179.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.511 ' CB ' ' CD2' ' A' ' 27' ' ' LEU . 2.8 t -42.76 -33.93 0.83 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.312 -0.868 . . . . 0.0 109.212 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.511 ' HA2' ' HG2' ' A' ' 24' ' ' LYS . . . -73.84 -112.62 0.07 OUTLIER Glycine 0 N--CA 1.487 2.053 0 N-CA-C 109.453 -1.459 . . . . 0.0 109.453 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 48.94 22.28 0.55 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.281 -1.129 . . . . 0.0 109.493 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -162.4 -71.41 0.05 Allowed 'General case' 0 C--N 1.306 -1.312 0 O-C-N 121.252 -0.905 . . . . 0.0 109.323 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 174.4 -43.31 0.14 Allowed Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.886 -1.286 . . . . 0.0 109.886 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -49.54 -64.93 0.66 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.265 -1.138 . . . . 0.0 109.632 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.511 ' HG2' ' HA2' ' A' ' 19' ' ' GLY . 40.0 mtpt 58.86 23.55 11.46 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.174 -0.954 . . . . 0.0 109.799 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.416 ' CD2' ' O ' ' A' ' 24' ' ' LYS . 19.9 m170 -142.31 8.84 1.83 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.064 -1.022 . . . . 0.0 109.914 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.62 136.26 18.12 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.195 -0.941 . . . . 0.0 109.143 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.982 HD23 ' CZ ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -98.42 -167.89 1.57 Allowed 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.094 -1.003 . . . . 0.0 109.558 179.931 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -150.51 129.13 12.28 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 179.706 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.63 ' O ' HD22 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -43.5 -24.18 0.1 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.108 -0.995 . . . . 0.0 110.188 -179.393 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 28' ' ' LYS . 1.6 m -77.67 -45.29 25.36 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.897 -1.127 . . . . 0.0 109.841 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.507 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 1.1 tp10 -74.28 -14.98 60.98 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.079 -1.013 . . . . 0.0 108.72 179.671 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.517 ' O ' HG13 ' A' ' 36' ' ' ILE . 20.1 tp -81.54 -47.84 12.58 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 178.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.2 ttmt -50.82 -42.38 58.35 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 178.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.562 ' HG3' ' N ' ' A' ' 35' ' ' LEU . 5.6 pt-20 -74.65 -44.2 51.54 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.457 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.59 ' CD1' HD22 ' B' ' 3' ' ' LEU . 0.2 OUTLIER -43.63 -41.36 4.61 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 179.471 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.733 HD13 HG21 ' A' ' 80' ' ' VAL . 0.7 OUTLIER -80.47 -63.79 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 121.338 -0.851 . . . . 0.0 109.951 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.506 ' HA ' ' HB2' ' A' ' 41' ' ' SER . 38.3 t-20 -66.36 -61.87 1.78 Allowed 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.067 -1.021 . . . . 0.0 110.137 -179.188 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.496 ' HB3' ' O ' ' A' ' 34' ' ' GLU . 10.4 t30 -43.48 -44.52 5.97 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.306 -0.871 . . . . 0.0 110.321 -179.519 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.492 ' HG2' ' HB3' ' B' ' 3' ' ' LEU . 0.5 OUTLIER -92.43 -75.7 0.48 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.998 -1.064 . . . . 0.0 110.856 -179.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.578 ' HG ' HD23 ' B' ' 3' ' ' LEU . 54.5 mt -56.58 -95.19 0.0 OUTLIER 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.088 -1.007 . . . . 0.0 110.036 -178.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.506 ' HB2' ' HA ' ' A' ' 37' ' ' ASN . 39.4 t 42.2 74.14 0.12 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.19 -0.944 . . . . 0.0 109.721 -179.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -149.04 -46.31 0.14 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.024 -1.048 . . . . 0.0 109.916 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -98.11 90.89 5.03 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.128 -0.983 . . . . 0.0 109.218 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.64 69.76 1.29 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.317 -0.865 . . . . 0.0 109.472 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -130.09 -51.24 1.12 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.174 -0.953 . . . . 0.0 109.581 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 51.5 mp0 -119.3 68.05 0.8 Allowed 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.395 -0.815 . . . . 0.0 109.478 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.6 mt -64.56 127.79 25.94 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.22 -0.925 . . . . 0.0 109.685 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -98.58 -37.45 9.53 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.208 -0.932 . . . . 0.0 109.282 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.734 ' OE1' HG23 ' A' ' 52' ' ' VAL . 15.1 mm-40 -94.78 61.86 2.64 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.234 -0.916 . . . . 0.0 109.344 179.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.475 ' O ' ' HB2' ' A' ' 54' ' ' ASP . 14.7 tt0 -53.63 -25.73 19.02 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.182 -0.949 . . . . 0.0 109.404 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.464 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 0.7 OUTLIER -74.9 -35.77 62.23 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.287 -0.883 . . . . 0.0 109.707 -179.869 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.734 HG23 ' OE1' ' A' ' 49' ' ' GLU . 54.6 t -65.55 -56.35 15.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.222 -0.924 . . . . 0.0 109.729 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.406 HG23 ' CB ' ' A' ' 83' ' ' ALA . 76.9 t -67.44 -27.98 40.55 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.317 -0.864 . . . . 0.0 109.757 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.521 ' O ' ' CG ' ' A' ' 58' ' ' GLU . 29.4 m-20 -76.79 -24.14 52.87 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.122 -0.986 . . . . 0.0 109.343 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' A' ' 51' ' ' GLU . 2.1 tmtt? -80.53 -48.29 12.97 Favored 'General case' 0 C--N 1.306 -1.299 0 O-C-N 121.262 -0.899 . . . . 0.0 109.775 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.639 HG21 ' CG1' ' A' ' 80' ' ' VAL . 21.3 m -71.45 -41.45 73.02 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 O-C-N 121.055 -1.028 . . . . 0.0 109.351 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.463 ' N ' HG23 ' A' ' 56' ' ' VAL . 60.5 tpp -68.87 -24.37 64.33 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.518 -0.739 . . . . 0.0 109.089 179.611 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.521 ' CG ' ' O ' ' A' ' 54' ' ' ASP . 15.8 mt-10 -77.24 -53.57 7.56 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.255 -0.903 . . . . 0.0 109.644 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.481 ' HA ' ' HB2' ' A' ' 62' ' ' GLU . 48.9 m -63.04 -31.62 72.8 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.376 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.63 HD22 ' O ' ' A' ' 29' ' ' LYS . 9.7 mt -63.82 -54.01 41.83 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.505 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -80.59 -2.52 46.67 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.387 -0.821 . . . . 0.0 109.628 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.481 ' HB2' ' HA ' ' A' ' 59' ' ' THR . 3.5 tt0 -72.57 -45.59 58.49 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.182 -0.949 . . . . 0.0 109.794 -179.673 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.532 ' HB3' ' CE ' ' A' ' 29' ' ' LYS . 58.1 t0 -113.67 -56.08 2.44 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.335 -0.853 . . . . 0.0 109.616 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.76 -45.1 3.45 Favored Glycine 0 N--CA 1.489 2.22 0 N-CA-C 109.434 -1.466 . . . . 0.0 109.434 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -108.17 72.65 0.85 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.315 -1.109 . . . . 0.0 109.33 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -134.01 162.86 24.54 Favored Glycine 0 N--CA 1.486 1.992 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -93.43 133.13 37.02 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.226 -1.161 . . . . 0.0 109.7 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.451 ' SG ' ' OE2' ' A' ' 72' ' ' GLU . 74.1 m -119.9 161.39 20.94 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.327 -0.858 . . . . 0.0 109.005 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -98.83 -177.52 3.67 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.149 -0.97 . . . . 0.0 109.084 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.51 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 0.9 OUTLIER -83.64 -28.71 28.23 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.325 -0.86 . . . . 0.0 109.331 179.75 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.531 ' HG3' ' N ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -81.35 -27.52 34.88 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.302 -0.874 . . . . 0.0 110.125 -179.778 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.574 ' HG3' ' N ' ' A' ' 73' ' ' PHE . 3.2 pt-20 -73.83 -47.19 40.23 Favored 'General case' 0 C--N 1.308 -1.225 0 O-C-N 120.859 -1.15 . . . . 0.0 108.749 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.732 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -65.41 -26.96 68.21 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 107.915 -1.142 . . . . 0.0 107.915 178.777 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.714 ' CE ' HD22 ' A' ' 10' ' ' LEU . 0.3 OUTLIER -66.6 -52.89 40.29 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.599 -0.688 . . . . 0.0 109.706 -179.757 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.485 ' O ' ' HG3' ' A' ' 79' ' ' MET . . . -71.07 -20.7 62.33 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.23 -0.919 . . . . 0.0 109.193 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.714 ' O ' HG22 ' A' ' 80' ' ' VAL . 1.5 m-85 -76.57 -30.79 57.19 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.242 -0.911 . . . . 0.0 109.309 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 1.074 HG12 ' HE2' ' B' ' 7' ' ' MET . 87.3 t -74.76 -26.87 19.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.147 -0.971 . . . . 0.0 109.501 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.87 -48.85 12.81 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.217 -0.927 . . . . 0.0 110.055 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.485 ' HG3' ' O ' ' A' ' 75' ' ' ALA . 0.4 OUTLIER -52.74 -45.98 67.26 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.205 -0.935 . . . . 0.0 110.38 -179.473 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.733 HG21 HD13 ' A' ' 36' ' ' ILE . 7.3 m -71.2 -40.49 74.56 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.465 0 O-C-N 121.127 -0.983 . . . . 0.0 110.629 -179.152 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.461 HG22 HD11 ' B' ' 11' ' ' ILE . 4.2 m -74.35 -1.99 23.32 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.908 -1.12 . . . . 0.0 109.487 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.411 HG21 ' HG3' ' B' ' 74' ' ' MET . 73.4 p -124.78 -8.78 7.29 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.276 -0.89 . . . . 0.0 109.528 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.596 ' HB2' HG11 ' A' ' 52' ' ' VAL . . . -82.3 -26.47 33.06 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.196 -0.94 . . . . 0.0 109.439 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.475 ' O ' ' O ' ' A' ' 83' ' ' ALA . 59.0 m -56.38 -160.61 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.292 -0.88 . . . . 0.0 109.585 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.487 ' CD2' ' N ' ' A' ' 86' ' ' GLU . 1.4 p-80 -63.34 -136.85 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.232 -0.918 . . . . 0.0 108.991 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.53 ' O ' ' CB ' ' A' ' 87' ' ' PHE . 48.6 mt-10 -75.62 -94.66 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.803 -1.186 . . . . 0.0 109.493 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.685 ' CZ ' ' CE2' ' A' ' 88' ' ' PHE . 0.0 OUTLIER 162.82 -104.59 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.39 -0.819 . . . . 0.0 109.39 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.685 ' CE2' ' CZ ' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -46.3 92.12 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.141 -0.974 . . . . 0.0 108.947 -179.893 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.558 ' N ' ' O ' ' A' ' 87' ' ' PHE . 10.0 tp10 -133.03 3.06 3.68 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.245 -0.91 . . . . 0.0 110.077 -178.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -49.97 102.76 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.256 -0.903 . . . . 0.0 109.515 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 117.945 -1.026 . . . . 0.0 109.515 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.489 1.494 0 CA-C-O 121.29 0.566 . . . . 0.0 109.537 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . 0.454 ' O ' ' HB3' ' B' ' 5' ' ' LYS . 1.0 OUTLIER -102.9 -169.07 1.6 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.12 -0.987 . . . . 0.0 109.446 179.886 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.568 ' HB3' HG22 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -80.31 -63.23 1.46 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.256 -0.903 . . . . 0.0 109.862 -179.781 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.59 HD22 ' CD1' ' A' ' 35' ' ' LEU . 6.2 tp -70.72 -50.76 32.84 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.403 -0.811 . . . . 0.0 109.787 -179.583 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.539 ' O ' ' CG2' ' B' ' 8' ' ' VAL . 12.8 tm-20 -51.17 -36.9 43.39 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 121.326 -0.859 . . . . 0.0 110.404 -178.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.685 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 0.1 OUTLIER -81.17 -37.94 27.93 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.765 -1.209 . . . . 0.0 109.707 -179.758 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.582 ' HB1' ' HB3' ' A' ' 9' ' ' ALA . . . -80.36 -69.25 0.61 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.28 -0.888 . . . . 0.0 109.848 -179.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . 1.074 ' HE2' HG12 ' A' ' 77' ' ' VAL . 1.1 tpt -42.47 -51.93 4.85 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.316 -0.865 . . . . 0.0 109.542 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.539 ' CG2' ' O ' ' B' ' 4' ' ' GLU . 18.1 t -66.07 -36.21 76.9 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.601 0 O-C-N 121.37 -0.832 . . . . 0.0 109.314 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.685 ' HB2' ' O ' ' B' ' 5' ' ' LYS . . . -52.61 -40.51 62.79 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.978 -1.076 . . . . 0.0 108.374 179.071 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.718 HD22 ' CE ' ' B' ' 74' ' ' MET . 0.8 OUTLIER -56.01 -45.72 78.99 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 178.9 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.548 HG23 ' CE1' ' A' ' 88' ' ' PHE . 1.2 mt -52.51 -36.19 21.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 178.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -58.56 -56.35 23.32 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.407 -0.808 . . . . 0.0 109.818 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.535 HG22 ' HB3' ' A' ' 2' ' ' GLU . 76.4 t -46.41 -32.17 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.143 -0.973 . . . . 0.0 109.68 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.99 ' CZ ' HD23 ' B' ' 27' ' ' LEU . 32.1 t80 -62.65 -47.58 83.1 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.227 -0.921 . . . . 0.0 109.718 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . 0.433 ' O ' ' CG ' ' B' ' 15' ' ' HIS . 0.0 OUTLIER -75.38 -2.72 29.78 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.172 -0.955 . . . . 0.0 109.271 -179.779 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.92 -32.15 12.2 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.168 -0.958 . . . . 0.0 109.141 179.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.477 ' CD2' ' CD2' ' B' ' 35' ' ' LEU . 3.4 m-30 -102.92 -57.13 2.1 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.39 -0.819 . . . . 0.0 109.166 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.519 ' CB ' ' CD2' ' B' ' 27' ' ' LEU . 2.8 t -42.77 -34.03 0.85 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.323 -0.86 . . . . 0.0 109.098 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . 0.515 ' HA2' ' HG2' ' B' ' 24' ' ' LYS . . . -73.78 -112.59 0.07 OUTLIER Glycine 0 N--CA 1.489 2.187 0 N-CA-C 109.529 -1.428 . . . . 0.0 109.529 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 48.92 22.23 0.54 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.249 -1.148 . . . . 0.0 109.501 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -162.32 -71.45 0.05 Allowed 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.275 -0.891 . . . . 0.0 109.35 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 174.45 -43.34 0.14 Allowed Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.849 -1.3 . . . . 0.0 109.849 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -49.53 -64.99 0.64 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.29 -1.124 . . . . 0.0 109.647 -179.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.515 ' HG2' ' HA2' ' B' ' 19' ' ' GLY . 39.9 mtpt 58.85 23.71 11.61 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.222 -0.924 . . . . 0.0 109.816 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . 0.425 ' CD2' ' O ' ' B' ' 24' ' ' LYS . 19.5 m170 -142.37 8.83 1.81 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.081 -1.012 . . . . 0.0 109.869 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.55 136.31 18.24 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.199 -0.938 . . . . 0.0 109.165 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.99 HD23 ' CZ ' ' B' ' 14' ' ' PHE . 0.3 OUTLIER -98.63 -167.87 1.56 Allowed 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.209 -0.932 . . . . 0.0 109.573 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' B' ' 30' ' ' SER . 0.0 OUTLIER -150.43 129.17 12.37 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 179.767 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.628 ' O ' HD22 ' B' ' 60' ' ' LEU . 0.0 OUTLIER -43.52 -24.15 0.1 Allowed 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.077 -1.015 . . . . 0.0 110.166 -179.348 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.433 ' N ' ' O ' ' B' ' 28' ' ' LYS . 1.6 m -77.74 -45.19 25.42 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.859 -1.15 . . . . 0.0 109.894 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.509 ' O ' ' HG2' ' B' ' 34' ' ' GLU . 1.1 tp10 -74.36 -14.97 60.95 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.089 -1.007 . . . . 0.0 108.701 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.524 ' O ' HG13 ' B' ' 36' ' ' ILE . 20.3 tp -81.51 -47.94 12.48 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 107.334 -1.358 . . . . 0.0 107.334 178.373 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 18.2 ttmt -50.82 -42.37 58.3 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 178.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.555 ' HG3' ' N ' ' B' ' 35' ' ' LEU . 5.5 pt-20 -74.71 -44.12 51.61 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 179.495 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.561 HD11 HD13 ' A' ' 3' ' ' LEU . 0.2 OUTLIER -43.81 -41.2 4.87 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 179.525 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.717 HD13 HG21 ' B' ' 80' ' ' VAL . 0.7 OUTLIER -80.52 -63.96 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.285 -0.884 . . . . 0.0 109.888 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.503 ' HA ' ' HB2' ' B' ' 41' ' ' SER . 38.2 t-20 -66.26 -61.87 1.78 Allowed 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.106 -0.996 . . . . 0.0 110.072 -179.181 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.501 ' HB3' ' O ' ' B' ' 34' ' ' GLU . 10.4 t30 -43.61 -44.43 6.27 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.221 -0.924 . . . . 0.0 110.298 -179.41 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.461 ' HG2' ' HB3' ' A' ' 3' ' ' LEU . 0.5 OUTLIER -92.45 -75.79 0.48 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.982 -1.074 . . . . 0.0 110.814 -179.041 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.616 ' HG ' HD23 ' A' ' 3' ' ' LEU . 54.4 mt -56.61 -95.17 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.357 0 O-C-N 121.131 -0.981 . . . . 0.0 110.069 -178.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.503 ' HB2' ' HA ' ' B' ' 37' ' ' ASN . 39.1 t 42.31 74.1 0.12 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.196 -0.94 . . . . 0.0 109.667 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -148.98 -46.35 0.14 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.093 -1.004 . . . . 0.0 109.867 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -98.19 91.12 5.1 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.134 -0.979 . . . . 0.0 109.235 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.78 69.68 1.29 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.319 -0.863 . . . . 0.0 109.46 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -130.05 -51.31 1.12 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.225 -0.922 . . . . 0.0 109.584 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 51.4 mp0 -119.29 68.07 0.8 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.418 -0.801 . . . . 0.0 109.433 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 3.6 mt -64.62 127.9 26.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.2 -0.937 . . . . 0.0 109.55 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -98.64 -37.51 9.48 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.236 -0.915 . . . . 0.0 109.231 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.744 ' OE1' HG23 ' B' ' 52' ' ' VAL . 15.0 mm-40 -94.82 61.93 2.63 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.28 -0.887 . . . . 0.0 109.292 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . 0.461 ' O ' ' HB2' ' B' ' 54' ' ' ASP . 14.8 tt0 -53.71 -25.59 19.14 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.246 -0.909 . . . . 0.0 109.402 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.478 ' O ' ' HB2' ' B' ' 55' ' ' LYS . 0.7 OUTLIER -74.97 -35.75 62.08 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.31 -0.869 . . . . 0.0 109.719 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.744 HG23 ' OE1' ' B' ' 49' ' ' GLU . 54.5 t -65.45 -56.46 15.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.094 -1.004 . . . . 0.0 109.713 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 77.4 t -67.59 -27.83 39.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.253 -0.904 . . . . 0.0 109.664 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . 0.525 ' O ' ' CG ' ' B' ' 58' ' ' GLU . 29.6 m-20 -76.93 -24.14 52.42 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.285 -0.884 . . . . 0.0 109.163 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.478 ' HB2' ' O ' ' B' ' 51' ' ' GLU . 2.1 tmtt? -80.56 -48.34 12.87 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.239 -0.913 . . . . 0.0 109.739 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.653 HG21 ' CG1' ' B' ' 80' ' ' VAL . 21.4 m -71.42 -41.33 73.34 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 O-C-N 121.025 -1.047 . . . . 0.0 109.414 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.465 ' N ' HG23 ' B' ' 56' ' ' VAL . 60.5 tpp -69.1 -24.32 64.12 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.418 -0.801 . . . . 0.0 109.008 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . 0.525 ' CG ' ' O ' ' B' ' 54' ' ' ASP . 15.7 mt-10 -77.24 -53.54 7.59 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.297 -0.877 . . . . 0.0 109.597 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . 0.485 ' HA ' ' HB2' ' B' ' 62' ' ' GLU . 49.5 m -63.11 -31.56 72.73 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 179.412 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.628 HD22 ' O ' ' B' ' 29' ' ' LYS . 9.6 mt -63.91 -53.92 42.87 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 179.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -80.56 -2.59 46.89 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.387 -0.821 . . . . 0.0 109.685 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.485 ' HB2' ' HA ' ' B' ' 59' ' ' THR . 3.5 tt0 -72.52 -45.55 58.83 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.202 -0.937 . . . . 0.0 109.744 -179.638 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.523 ' HB3' ' CE ' ' B' ' 29' ' ' LYS . 58.3 t0 -113.75 -56.04 2.44 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.244 -0.91 . . . . 0.0 109.65 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.86 -45.33 3.5 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -108.07 72.62 0.85 Allowed 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.202 -1.175 . . . . 0.0 109.366 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -133.95 162.81 24.52 Favored Glycine 0 N--CA 1.486 2.008 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -93.48 133.17 37.04 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.181 -1.188 . . . . 0.0 109.728 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.455 ' SG ' ' OE2' ' B' ' 72' ' ' GLU . 73.9 m -119.83 161.45 20.78 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.337 -0.852 . . . . 0.0 108.971 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -98.86 -177.55 3.68 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.207 -0.933 . . . . 0.0 109.139 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.512 ' HA ' ' CE2' ' B' ' 14' ' ' PHE . 0.9 OUTLIER -83.57 -28.59 28.44 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.405 -0.809 . . . . 0.0 109.316 179.771 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.532 ' HG3' ' N ' ' B' ' 72' ' ' GLU . 0.0 OUTLIER -81.42 -27.56 34.67 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.309 -0.87 . . . . 0.0 110.166 -179.781 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.587 ' HG3' ' N ' ' B' ' 73' ' ' PHE . 3.2 pt-20 -74.01 -46.96 40.32 Favored 'General case' 0 C--N 1.307 -1.25 0 O-C-N 120.909 -1.119 . . . . 0.0 108.727 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.734 ' O ' HG23 ' B' ' 77' ' ' VAL . 0.0 OUTLIER -65.47 -27.12 68.27 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 178.724 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.718 ' CE ' HD22 ' B' ' 10' ' ' LEU . 0.3 OUTLIER -66.53 -52.94 40.4 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.587 -0.696 . . . . 0.0 109.687 -179.749 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.472 ' O ' ' HG3' ' B' ' 79' ' ' MET . . . -71.11 -20.61 62.31 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.205 -0.934 . . . . 0.0 109.229 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.722 ' O ' HG22 ' B' ' 80' ' ' VAL . 1.5 m-85 -76.61 -30.81 57.08 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.314 -0.866 . . . . 0.0 109.259 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 1.023 HG12 ' HE2' ' A' ' 7' ' ' MET . 87.8 t -74.77 -26.82 19.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.274 -0.891 . . . . 0.0 109.484 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.96 -48.87 12.7 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.215 -0.928 . . . . 0.0 110.087 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . 0.472 ' HG3' ' O ' ' B' ' 75' ' ' ALA . 0.4 OUTLIER -52.75 -46.05 67.31 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.211 -0.931 . . . . 0.0 110.282 -179.469 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.722 HG22 ' O ' ' B' ' 76' ' ' PHE . 7.4 m -71.11 -40.6 75.48 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 O-C-N 121.131 -0.981 . . . . 0.0 110.632 -179.137 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.415 HG22 HD11 ' A' ' 11' ' ' ILE . 4.2 m -74.29 -2.02 23.26 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.914 -1.116 . . . . 0.0 109.49 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 72.9 p -124.79 -8.68 7.29 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.247 -0.908 . . . . 0.0 109.619 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.592 ' HB2' HG11 ' B' ' 52' ' ' VAL . . . -82.39 -26.43 32.85 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.154 -0.966 . . . . 0.0 109.448 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . 0.468 ' O ' ' O ' ' B' ' 83' ' ' ALA . 59.1 m -56.42 -160.68 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.309 -0.87 . . . . 0.0 109.548 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . 0.478 ' CD2' ' N ' ' B' ' 86' ' ' GLU . 1.4 p-80 -63.29 -136.74 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.301 -0.874 . . . . 0.0 109.05 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . 0.532 ' O ' ' CB ' ' B' ' 87' ' ' PHE . 48.6 mt-10 -75.73 -94.7 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.805 -1.184 . . . . 0.0 109.437 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . 0.681 ' CZ ' ' CE2' ' B' ' 88' ' ' PHE . 0.0 OUTLIER 162.86 -104.63 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.279 -0.888 . . . . 0.0 109.466 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.681 ' CE2' ' CZ ' ' B' ' 87' ' ' PHE . 0.0 OUTLIER -46.19 92.07 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.143 -0.973 . . . . 0.0 108.911 -179.905 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.56 ' N ' ' O ' ' B' ' 87' ' ' PHE . 10.0 tp10 -133.05 3.16 3.69 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.235 -0.916 . . . . 0.0 110.058 -178.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -49.97 102.76 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.146 -0.971 . . . . 0.0 109.399 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 117.912 -1.042 . . . . 0.0 109.502 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . 0.428 ' O ' ' HG2' ' A' ' 0' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.448 ' CB ' ' OE1' ' B' ' 39' ' ' GLU . 33.1 p -128.68 176.44 7.8 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.148 -0.97 . . . . 0.0 109.587 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.749 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 10.4 mm-40 -73.0 -37.4 66.99 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.425 -0.797 . . . . 0.0 109.567 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.774 HD22 HD12 ' B' ' 35' ' ' LEU . 4.7 tp -68.84 -41.64 78.23 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.154 -0.966 . . . . 0.0 110.281 -179.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.639 ' O ' HG23 ' A' ' 8' ' ' VAL . 1.6 tm-20 -71.99 -62.67 1.34 Allowed 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.081 -1.012 . . . . 0.0 110.601 -178.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.798 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 10.9 ptmt -60.67 -37.13 80.55 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.033 -1.042 . . . . 0.0 110.698 -178.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.749 ' HB3' ' O ' ' A' ' 2' ' ' GLU . . . -80.05 -60.4 2.35 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.904 -1.123 . . . . 0.0 110.275 -179.186 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.689 ' HG3' HG21 ' B' ' 81' ' ' THR . 10.6 tpt -51.74 -56.36 14.26 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.07 -1.019 . . . . 0.0 109.188 -179.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 4' ' ' GLU . 8.3 t -60.02 -27.1 37.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.371 -0.831 . . . . 0.0 109.029 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.798 ' HB2' ' O ' ' A' ' 5' ' ' LYS . . . -64.01 -43.94 94.12 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.456 -0.777 . . . . 0.0 109.346 179.61 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.8 HD22 ' HE2' ' A' ' 74' ' ' MET . 0.1 OUTLIER -56.69 -35.13 68.12 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.331 -0.856 . . . . 0.0 108.953 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.714 HG23 ' CE2' ' B' ' 88' ' ' PHE . 1.5 mp -65.1 -33.22 62.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.315 -0.866 . . . . 0.0 108.957 179.493 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -67.73 -54.78 16.62 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.361 -0.837 . . . . 0.0 109.428 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.615 HG12 ' N ' ' A' ' 14' ' ' PHE . 0.6 OUTLIER -53.36 -55.08 14.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.282 -0.886 . . . . 0.0 109.06 179.837 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.687 ' CE1' HD12 ' A' ' 27' ' ' LEU . 93.9 t80 -43.73 -34.06 1.42 Allowed 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.62 -0.675 . . . . 0.0 110.094 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.518 ' O ' ' N ' ' A' ' 19' ' ' GLY . 1.3 t-80 -81.15 -36.4 30.27 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.052 -1.03 . . . . 0.0 109.89 -179.47 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.87 -49.87 75.74 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.102 -0.999 . . . . 0.0 109.854 -179.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.623 ' CG ' HD21 ' A' ' 35' ' ' LEU . 57.6 m-85 -63.35 -40.58 97.66 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.176 -0.952 . . . . 0.0 109.726 -179.627 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.8 t -95.47 11.15 33.94 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.128 -0.983 . . . . 0.0 109.456 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 15' ' ' HIS . . . -93.61 -46.04 3.3 Favored Glycine 0 N--CA 1.489 2.169 0 N-CA-C 109.667 -1.373 . . . . 0.0 109.667 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.503 ' HG3' ' N ' ' A' ' 21' ' ' GLU . 16.7 ptm180 -51.42 -43.02 61.89 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.353 -1.087 . . . . 0.0 109.454 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.503 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -140.3 -163.1 1.45 Allowed 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.342 -0.849 . . . . 0.0 109.532 -179.904 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.54 -147.31 40.24 Favored Glycine 0 N--CA 1.488 2.123 0 N-CA-C 109.409 -1.477 . . . . 0.0 109.409 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.73 18.41 12.64 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.327 -1.102 . . . . 0.0 109.308 179.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.457 ' HG3' ' HA2' ' A' ' 19' ' ' GLY . 0.3 OUTLIER 61.71 12.67 4.78 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.349 -0.844 . . . . 0.0 109.729 179.911 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.5 ' O ' ' CG ' ' A' ' 25' ' ' HIS . 51.8 t-80 -142.32 9.86 1.87 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.169 -0.957 . . . . 0.0 109.635 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.2 pttp -149.04 146.19 27.63 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.036 -1.04 . . . . 0.0 109.741 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.687 HD12 ' CE1' ' A' ' 14' ' ' PHE . 4.0 mt -117.72 -162.4 0.87 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.342 -0.849 . . . . 0.0 109.128 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -137.33 139.95 41.18 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.2 -0.938 . . . . 0.0 109.354 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.531 ' O ' ' CD2' ' A' ' 60' ' ' LEU . 0.8 OUTLIER -57.44 -23.14 47.86 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.159 -0.963 . . . . 0.0 109.757 -179.709 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.87 -38.04 33.58 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.984 -1.073 . . . . 0.0 109.52 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.472 ' O ' ' HB2' ' A' ' 35' ' ' LEU . 2.6 tt0 -75.89 -20.35 58.12 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.126 -0.984 . . . . 0.0 108.783 179.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.498 ' O ' HG13 ' A' ' 36' ' ' ILE . 29.0 tp -80.26 -41.83 24.3 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 178.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.819 ' HG3' HD13 ' A' ' 60' ' ' LEU . 15.2 tttt -57.69 -38.3 74.93 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 178.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.565 ' HG3' ' N ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -80.46 -31.82 37.33 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 179.648 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.774 HD12 HD22 ' B' ' 3' ' ' LEU . 0.0 OUTLIER -56.78 -43.18 80.62 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.771 -0.581 . . . . 0.0 109.877 -179.921 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.863 HG21 HG21 ' A' ' 80' ' ' VAL . 0.4 OUTLIER -80.14 -50.64 17.28 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.122 -0.986 . . . . 0.0 110.012 -179.271 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.484 ' O ' ' HB2' ' A' ' 41' ' ' SER . 18.0 t30 -69.49 -3.38 14.36 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.259 -0.901 . . . . 0.0 110.465 -179.123 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.5 ' HB2' ' O ' ' A' ' 34' ' ' GLU . 66.3 t30 -106.61 -67.3 0.95 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.957 -1.09 . . . . 0.0 109.743 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.503 ' HB3' ' HB3' ' B' ' 3' ' ' LEU . 5.7 mm-40 -58.62 -65.6 0.63 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.18 -0.95 . . . . 0.0 109.679 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.425 ' HA ' HD23 ' A' ' 40' ' ' LEU . 28.8 mt -66.92 -93.39 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.187 -0.945 . . . . 0.0 109.622 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.484 ' HB2' ' O ' ' A' ' 37' ' ' ASN . 36.7 t 44.44 39.74 3.37 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.957 -1.089 . . . . 0.0 109.874 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -136.48 16.17 3.16 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.19 -0.944 . . . . 0.0 109.419 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -138.48 39.43 2.24 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.341 -0.849 . . . . 0.0 109.358 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.13 60.28 0.77 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.207 -0.933 . . . . 0.0 109.707 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -87.25 -72.66 0.5 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.227 -0.921 . . . . 0.0 109.45 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.477 ' HG2' ' CE1' ' A' ' 85' ' ' HIS . 0.2 OUTLIER -126.58 -33.0 2.58 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.257 -0.902 . . . . 0.0 108.974 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.475 ' HB ' ' O ' ' A' ' 46' ' ' GLU . 14.4 mt 64.99 125.07 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.313 -0.867 . . . . 0.0 109.544 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.35 -28.06 13.47 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.258 -0.901 . . . . 0.0 109.245 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.724 ' OE1' HG23 ' A' ' 52' ' ' VAL . 5.7 mm-40 -99.06 68.65 1.7 Allowed 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.31 -0.869 . . . . 0.0 109.362 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.543 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 10.8 tt0 -56.84 -23.63 45.39 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.255 -0.903 . . . . 0.0 109.331 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.453 ' O ' ' CB ' ' A' ' 55' ' ' LYS . 2.5 tt0 -80.11 -32.28 39.1 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.22 -0.925 . . . . 0.0 109.947 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.732 ' O ' HG22 ' A' ' 56' ' ' VAL . 61.4 t -70.87 -47.79 60.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.067 -1.021 . . . . 0.0 109.617 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.53 HG22 HG12 ' A' ' 80' ' ' VAL . 63.4 t -76.52 -31.3 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.209 -0.932 . . . . 0.0 109.16 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.543 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 27.6 t70 -79.5 -17.69 53.58 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 179.185 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.453 ' CB ' ' O ' ' A' ' 51' ' ' GLU . 0.9 OUTLIER -80.2 -49.25 11.91 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.372 -0.83 . . . . 0.0 109.073 179.637 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.732 HG22 ' O ' ' A' ' 52' ' ' VAL . 2.4 m -74.58 -35.07 36.97 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 O-C-N 121.084 -1.01 . . . . 0.0 108.592 179.43 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.422 ' HB2' ' O ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -72.12 -22.52 61.32 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 179.244 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.457 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 10.2 mt-10 -75.31 -55.12 6.02 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.451 -0.781 . . . . 0.0 109.165 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.1 m -60.75 -37.33 81.45 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 107.729 -1.212 . . . . 0.0 107.729 179.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.819 HD13 ' HG3' ' A' ' 33' ' ' LYS . 14.3 mt -55.69 -57.0 13.8 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -80.4 -1.21 40.39 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.571 -0.706 . . . . 0.0 109.677 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.9 -31.85 68.62 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.105 -0.997 . . . . 0.0 109.585 -179.694 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -132.55 -59.87 0.9 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.226 -0.921 . . . . 0.0 109.686 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 77.9 -5.46 53.27 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.866 -1.294 . . . . 0.0 109.866 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -132.5 37.98 3.47 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.044 -1.268 . . . . 0.0 109.548 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -120.78 -173.31 14.79 Favored Glycine 0 N--CA 1.486 2.024 0 N-CA-C 109.612 -1.395 . . . . 0.0 109.612 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -116.58 158.49 23.6 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.25 -1.147 . . . . 0.0 109.487 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 56.6 m -127.97 179.61 5.48 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.339 -0.851 . . . . 0.0 109.108 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -117.9 174.43 6.2 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.136 -0.978 . . . . 0.0 109.344 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.599 ' CE2' ' HG2' ' A' ' 71' ' ' GLN . 44.8 p90 -74.11 -30.62 62.42 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.326 -0.859 . . . . 0.0 109.14 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.599 ' HG2' ' CE2' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -79.28 -22.97 43.92 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.387 -0.821 . . . . 0.0 108.901 179.341 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.423 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -78.54 -50.34 11.74 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.396 -0.815 . . . . 0.0 109.206 179.85 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.623 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -66.05 -24.21 66.69 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.387 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.8 ' HE2' HD22 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -75.32 -52.22 11.34 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.536 -0.727 . . . . 0.0 109.365 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.489 ' O ' ' HG3' ' A' ' 79' ' ' MET . . . -70.8 -16.21 62.72 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.177 -0.952 . . . . 0.0 108.731 179.631 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.706 ' O ' HG22 ' A' ' 80' ' ' VAL . 1.2 m-85 -80.59 -42.85 21.56 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.45 -0.781 . . . . 0.0 109.543 179.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 73' ' ' PHE . 97.1 t -67.49 -29.14 44.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.271 -0.893 . . . . 0.0 109.741 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.442 ' O ' ' OG1' ' A' ' 82' ' ' THR . 5.9 m -76.19 -39.09 55.6 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.119 -0.988 . . . . 0.0 109.783 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.535 ' HB3' ' CG1' ' A' ' 52' ' ' VAL . 0.1 OUTLIER -60.98 -50.73 72.2 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.277 -0.889 . . . . 0.0 110.036 -179.708 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.863 HG21 HG21 ' A' ' 36' ' ' ILE . 2.5 m -69.36 -39.32 78.73 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.394 0 O-C-N 121.149 -0.969 . . . . 0.0 110.11 -179.276 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.677 HG21 ' HG3' ' B' ' 7' ' ' MET . 25.5 m -67.2 -14.08 62.57 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.073 -1.017 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.486 ' HB ' ' HG2' ' B' ' 71' ' ' GLN . 2.2 p -103.94 -13.21 16.43 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.287 -0.883 . . . . 0.0 109.329 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.485 ' CB ' HG23 ' A' ' 53' ' ' VAL . . . -84.11 43.89 0.97 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.249 -0.907 . . . . 0.0 109.636 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 30.3 m -79.23 -172.98 3.41 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.102 -0.999 . . . . 0.0 109.472 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.492 ' NE2' ' OE2' ' A' ' 86' ' ' GLU . 25.8 t60 -83.49 -93.98 0.07 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.178 -0.951 . . . . 0.0 109.731 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.492 ' OE2' ' NE2' ' A' ' 85' ' ' HIS . 0.4 OUTLIER -72.51 -84.72 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.166 -0.959 . . . . 0.0 109.605 -179.72 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.499 ' CE2' ' CE2' ' A' ' 88' ' ' PHE . 3.5 t80 -166.24 84.65 0.3 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.143 -0.973 . . . . 0.0 109.852 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.697 ' CE2' HG23 ' B' ' 11' ' ' ILE . 5.7 m-85 63.83 34.22 12.04 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.22 -0.925 . . . . 0.0 109.688 179.424 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 91' ' ' GLU . 14.1 tt0 62.89 7.91 2.86 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.338 -0.851 . . . . 0.0 110.517 179.542 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.465 ' C ' ' O ' ' A' ' 89' ' ' GLU . 2.1 t60 37.64 29.16 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.283 -0.886 . . . . 0.0 110.338 179.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.508 ' N ' ' O ' ' A' ' 89' ' ' GLU . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 118.018 -0.992 . . . . 0.0 109.549 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . 0.422 ' HG2' ' O ' ' B' ' 0' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . 0.435 ' CB ' ' OE1' ' A' ' 39' ' ' GLU . 33.4 p -128.66 176.42 7.81 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.187 -0.945 . . . . 0.0 109.634 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.755 ' O ' ' HB3' ' B' ' 6' ' ' ALA . 10.4 mm-40 -73.0 -37.35 67.0 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.407 -0.808 . . . . 0.0 109.53 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.774 HD22 HD12 ' A' ' 35' ' ' LEU . 4.7 tp -68.89 -41.71 77.93 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.089 -1.007 . . . . 0.0 110.258 -179.578 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.638 ' O ' HG23 ' B' ' 8' ' ' VAL . 1.6 tm-20 -71.94 -62.58 1.37 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.226 -0.921 . . . . 0.0 110.62 -178.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.798 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 11.0 ptmt -60.7 -37.2 80.86 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.024 -1.048 . . . . 0.0 110.753 -178.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.755 ' HB3' ' O ' ' B' ' 2' ' ' GLU . . . -79.89 -60.43 2.34 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.927 -1.108 . . . . 0.0 110.365 -179.294 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . 0.677 ' HG3' HG21 ' A' ' 81' ' ' THR . 10.6 tpt -51.64 -56.41 13.79 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.028 -1.045 . . . . 0.0 109.19 -179.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.638 HG23 ' O ' ' B' ' 4' ' ' GLU . 8.5 t -60.12 -27.07 38.2 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.552 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.798 ' HB2' ' O ' ' B' ' 5' ' ' LYS . . . -63.96 -43.96 94.22 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.417 -0.802 . . . . 0.0 109.293 179.635 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.798 HD22 ' HE2' ' B' ' 74' ' ' MET . 0.1 OUTLIER -56.68 -35.04 67.99 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.33 -0.856 . . . . 0.0 109.124 179.915 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.697 HG23 ' CE2' ' A' ' 88' ' ' PHE . 1.5 mp -65.16 -33.05 61.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.197 -0.939 . . . . 0.0 109.001 179.425 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -67.8 -54.79 16.33 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.355 -0.841 . . . . 0.0 109.466 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.611 HG12 ' N ' ' B' ' 14' ' ' PHE . 0.6 OUTLIER -53.47 -54.95 15.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.351 -0.843 . . . . 0.0 109.091 179.855 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.69 ' CE1' HD12 ' B' ' 27' ' ' LEU . 93.7 t80 -43.62 -34.24 1.39 Allowed 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.589 -0.694 . . . . 0.0 110.15 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . 0.523 ' O ' ' N ' ' B' ' 19' ' ' GLY . 1.3 t-80 -81.11 -36.35 30.45 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.075 -1.015 . . . . 0.0 109.848 -179.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.79 -49.97 75.35 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.157 -0.965 . . . . 0.0 109.846 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.627 ' CG ' HD21 ' B' ' 35' ' ' LEU . 57.9 m-85 -63.23 -40.64 98.01 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.142 -0.974 . . . . 0.0 109.8 -179.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 9.7 t -95.52 11.17 33.97 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.022 -1.048 . . . . 0.0 109.342 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' B' ' 15' ' ' HIS . . . -93.56 -46.16 3.28 Favored Glycine 0 N--CA 1.487 2.072 0 N-CA-C 109.691 -1.364 . . . . 0.0 109.691 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.501 ' HG3' ' N ' ' B' ' 21' ' ' GLU . 16.8 ptm180 -51.31 -43.15 61.61 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.23 -1.159 . . . . 0.0 109.391 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.501 ' N ' ' HG3' ' B' ' 20' ' ' ARG . 0.2 OUTLIER -140.27 -163.06 1.44 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.317 -0.864 . . . . 0.0 109.604 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.5 -147.42 40.49 Favored Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.437 -1.465 . . . . 0.0 109.437 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.63 18.35 12.72 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.181 -1.188 . . . . 0.0 109.281 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.457 ' HG3' ' HA2' ' B' ' 19' ' ' GLY . 0.3 OUTLIER 61.73 12.49 4.68 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.4 -0.812 . . . . 0.0 109.775 179.892 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . 0.501 ' O ' ' CG ' ' B' ' 25' ' ' HIS . 51.8 t-80 -142.14 9.85 1.91 Allowed 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.153 -0.967 . . . . 0.0 109.677 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 3.2 pttp -149.03 146.25 27.67 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.136 -0.977 . . . . 0.0 109.645 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.69 HD12 ' CE1' ' B' ' 14' ' ' PHE . 3.9 mt -117.79 -162.44 0.88 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.231 -0.918 . . . . 0.0 109.084 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -137.36 140.0 41.15 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.151 -0.968 . . . . 0.0 109.269 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.536 ' O ' ' CD2' ' B' ' 60' ' ' LEU . 0.8 OUTLIER -57.44 -23.19 48.2 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.124 -0.985 . . . . 0.0 109.728 -179.725 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.84 -38.09 33.57 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.03 -1.044 . . . . 0.0 109.479 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.463 ' O ' ' HB2' ' B' ' 35' ' ' LEU . 2.6 tt0 -75.85 -20.24 58.27 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.199 -0.938 . . . . 0.0 108.853 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.484 ' O ' HG13 ' B' ' 36' ' ' ILE . 29.1 tp -80.29 -41.72 24.42 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 178.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.816 ' HG3' HD13 ' B' ' 60' ' ' LEU . 15.3 tttt -57.93 -38.14 75.39 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 178.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.559 ' HG3' ' N ' ' B' ' 35' ' ' LEU . 0.0 OUTLIER -80.41 -31.88 37.56 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.534 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.774 HD12 HD22 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -56.83 -43.15 80.78 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.793 -0.567 . . . . 0.0 109.858 -179.866 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.879 HG21 HG21 ' B' ' 80' ' ' VAL . 0.4 OUTLIER -80.1 -50.52 17.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.128 -0.982 . . . . 0.0 110.098 -179.309 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.488 ' O ' ' HB2' ' B' ' 41' ' ' SER . 18.1 t30 -69.57 -3.27 14.12 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.241 -0.912 . . . . 0.0 110.507 -179.158 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' B' ' 34' ' ' GLU . 66.3 t30 -106.72 -67.32 0.95 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.974 -1.079 . . . . 0.0 109.631 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.5 ' HB3' ' HB3' ' A' ' 3' ' ' LEU . 5.7 mm-40 -58.58 -65.62 0.63 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.206 -0.934 . . . . 0.0 109.662 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.408 ' HA ' HD23 ' B' ' 40' ' ' LEU . 28.6 mt -66.82 -93.37 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.212 -0.93 . . . . 0.0 109.662 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.488 ' HB2' ' O ' ' B' ' 37' ' ' ASN . 36.6 t 44.45 39.71 3.37 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.047 -1.033 . . . . 0.0 109.829 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -136.54 16.19 3.15 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.128 -0.983 . . . . 0.0 109.322 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -138.41 39.4 2.26 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.366 -0.834 . . . . 0.0 109.439 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.11 60.22 0.77 Allowed 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.207 -0.933 . . . . 0.0 109.65 -179.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -87.24 -72.67 0.5 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.161 -0.962 . . . . 0.0 109.402 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.473 ' O ' ' HB ' ' B' ' 47' ' ' ILE . 0.2 OUTLIER -126.57 -33.03 2.58 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.333 -0.855 . . . . 0.0 108.945 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.473 ' HB ' ' O ' ' B' ' 46' ' ' GLU . 14.4 mt 65.07 125.09 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.301 -0.874 . . . . 0.0 109.473 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.37 -28.04 13.47 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.283 -0.885 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.73 ' OE1' HG23 ' B' ' 52' ' ' VAL . 5.8 mm-40 -99.05 68.7 1.71 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.295 -0.878 . . . . 0.0 109.387 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . 0.537 ' O ' ' CB ' ' B' ' 54' ' ' ASP . 10.8 tt0 -56.8 -23.65 45.04 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.265 -0.897 . . . . 0.0 109.38 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.45 ' O ' ' CB ' ' B' ' 55' ' ' LYS . 2.5 tt0 -80.15 -32.19 38.92 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.199 -0.938 . . . . 0.0 109.877 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.737 ' O ' HG22 ' B' ' 56' ' ' VAL . 63.3 t -71.05 -47.79 59.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.138 -0.976 . . . . 0.0 109.468 -179.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.519 HG22 HG12 ' B' ' 80' ' ' VAL . 63.6 t -76.37 -31.39 20.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.258 -0.901 . . . . 0.0 109.186 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . 0.537 ' CB ' ' O ' ' B' ' 50' ' ' GLN . 27.5 t70 -79.55 -17.61 53.61 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 179.262 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.45 ' CB ' ' O ' ' B' ' 51' ' ' GLU . 0.9 OUTLIER -80.2 -49.3 11.83 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.354 -0.841 . . . . 0.0 109.094 179.626 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.737 HG22 ' O ' ' B' ' 52' ' ' VAL . 2.5 m -74.48 -35.11 37.72 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 O-C-N 121.238 -0.914 . . . . 0.0 108.618 179.384 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.412 ' HB2' ' O ' ' B' ' 53' ' ' VAL . 0.0 OUTLIER -72.07 -22.51 61.36 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 179.268 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . 0.449 ' HB2' ' O ' ' B' ' 54' ' ' ASP . 10.1 mt-10 -75.37 -55.07 6.06 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.444 -0.785 . . . . 0.0 109.171 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 3.1 m -60.73 -37.37 81.54 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 179.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.816 HD13 ' HG3' ' B' ' 33' ' ' LYS . 14.3 mt -55.72 -57.01 13.78 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 178.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -80.37 -1.25 40.45 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.629 -0.669 . . . . 0.0 109.612 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.92 -31.75 68.46 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.154 -0.966 . . . . 0.0 109.556 -179.601 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -132.62 -59.92 0.89 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.231 -0.918 . . . . 0.0 109.56 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 77.89 -5.5 52.98 Favored Glycine 0 N--CA 1.489 2.206 0 N-CA-C 109.889 -1.285 . . . . 0.0 109.889 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -132.39 37.88 3.49 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.094 -1.239 . . . . 0.0 109.569 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -120.81 -173.33 14.78 Favored Glycine 0 N--CA 1.488 2.12 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -116.53 158.43 23.64 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.21 -1.17 . . . . 0.0 109.508 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 56.7 m -127.95 179.58 5.49 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.328 -0.858 . . . . 0.0 109.122 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -117.89 174.46 6.18 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.136 -0.977 . . . . 0.0 109.3 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.603 ' CE2' ' HG2' ' B' ' 71' ' ' GLN . 44.8 p90 -74.16 -30.55 62.32 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.35 -0.844 . . . . 0.0 109.14 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.603 ' HG2' ' CE2' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -79.42 -22.92 43.61 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.36 -0.838 . . . . 0.0 108.774 179.487 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.425 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 0.1 OUTLIER -78.54 -50.46 11.53 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.428 -0.795 . . . . 0.0 109.169 179.902 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.624 ' O ' HG23 ' B' ' 77' ' ' VAL . 0.0 OUTLIER -66.01 -24.12 66.7 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 179.35 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.798 ' HE2' HD22 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -75.31 -52.24 11.31 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.53 -0.731 . . . . 0.0 109.407 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.487 ' O ' ' HG3' ' B' ' 79' ' ' MET . . . -70.65 -16.37 62.81 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.216 -0.927 . . . . 0.0 108.751 179.582 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.707 ' O ' HG22 ' B' ' 80' ' ' VAL . 1.2 m-85 -80.5 -42.85 21.77 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.384 -0.823 . . . . 0.0 109.591 179.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.624 HG23 ' O ' ' B' ' 73' ' ' PHE . 98.2 t -67.51 -29.13 44.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.299 -0.875 . . . . 0.0 109.689 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . 0.406 ' HA ' ' CE ' ' A' ' 7' ' ' MET . 5.9 m -76.2 -39.08 55.56 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.261 -0.899 . . . . 0.0 109.786 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . 0.535 ' HB3' ' CG1' ' B' ' 52' ' ' VAL . 0.1 OUTLIER -60.86 -50.86 71.73 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.302 -0.874 . . . . 0.0 110.006 -179.74 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.879 HG21 HG21 ' B' ' 36' ' ' ILE . 2.6 m -69.23 -39.36 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.178 -0.951 . . . . 0.0 110.188 -179.297 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.689 HG21 ' HG3' ' A' ' 7' ' ' MET . 25.5 m -67.19 -14.11 62.59 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.992 -1.067 . . . . 0.0 109.335 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.493 ' HB ' ' HG2' ' A' ' 71' ' ' GLN . 2.2 p -103.85 -13.28 16.46 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.285 -0.884 . . . . 0.0 109.286 179.66 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.498 ' CB ' HG23 ' B' ' 53' ' ' VAL . . . -84.04 43.84 0.96 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.217 -0.927 . . . . 0.0 109.702 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 30.4 m -79.18 -172.96 3.39 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.253 -0.905 . . . . 0.0 109.448 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . 0.504 ' NE2' ' OE2' ' B' ' 86' ' ' GLU . 25.8 t60 -83.58 -94.04 0.07 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.213 -0.929 . . . . 0.0 109.722 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . 0.504 ' OE2' ' NE2' ' B' ' 85' ' ' HIS . 0.4 OUTLIER -72.32 -84.76 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.19 -0.944 . . . . 0.0 109.696 -179.801 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . 0.506 ' CE2' ' CE2' ' B' ' 88' ' ' PHE . 3.6 t80 -166.28 84.73 0.3 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.109 -0.995 . . . . 0.0 109.763 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.714 ' CE2' HG23 ' A' ' 11' ' ' ILE . 5.7 m-85 63.75 34.21 12.26 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.294 -0.879 . . . . 0.0 109.768 179.431 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.502 ' O ' ' N ' ' B' ' 91' ' ' GLU . 14.0 tt0 62.9 7.86 2.84 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.243 -0.911 . . . . 0.0 110.527 179.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . 0.46 ' C ' ' O ' ' B' ' 89' ' ' GLU . 2.1 t60 37.68 29.13 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.41 -0.806 . . . . 0.0 110.376 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' B' ' 89' ' ' GLU . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.589 0 O-C-N 121.085 -1.01 . . . . 0.0 109.459 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.8 t -143.06 152.98 42.47 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.272 -0.893 . . . . 0.0 109.421 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.955 ' HB2' HG22 ' B' ' 13' ' ' VAL . 55.4 mm-40 -73.99 -43.07 59.32 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.275 -0.89 . . . . 0.0 109.435 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.806 HD22 ' CD1' ' B' ' 35' ' ' LEU . 3.3 tp -65.56 -38.98 91.11 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.347 -0.845 . . . . 0.0 110.053 -179.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.486 ' HA ' ' CD ' ' B' ' 39' ' ' GLU . 1.1 tm-20 -66.33 -56.28 11.89 Favored 'General case' 0 C--N 1.295 -1.766 0 O-C-N 120.939 -1.101 . . . . 0.0 110.32 -178.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.812 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 8.6 ptmt -62.06 -28.82 69.87 Favored 'General case' 0 C--N 1.297 -1.688 0 O-C-N 120.643 -1.286 . . . . 0.0 109.673 -179.484 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.825 ' CB ' ' HB3' ' B' ' 9' ' ' ALA . . . -81.33 -73.58 0.37 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.106 -0.996 . . . . 0.0 110.361 -179.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.668 ' SD ' HG21 ' B' ' 81' ' ' THR . 9.6 tpp -49.5 -54.47 17.72 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.599 -0.688 . . . . 0.0 109.776 -179.519 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.797 HG23 ' OE2' ' B' ' 39' ' ' GLU . 6.6 t -62.34 -29.8 47.54 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.576 0 O-C-N 121.405 -0.809 . . . . 0.0 110.231 -179.072 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.816 ' HB3' ' CB ' ' B' ' 6' ' ' ALA . . . -64.86 -37.47 87.73 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.656 -1.278 . . . . 0.0 108.935 179.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.799 HD22 ' CE ' ' A' ' 74' ' ' MET . 0.2 OUTLIER -55.64 -50.51 70.02 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.301 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.684 HD12 ' CE2' ' B' ' 87' ' ' PHE . 28.0 mm -49.2 -34.34 7.01 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 178.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.459 ' HB3' ' O ' ' A' ' 9' ' ' ALA . 36.5 t0 -57.71 -53.63 56.0 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 179.294 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.957 HG22 ' HB2' ' B' ' 2' ' ' GLU . 67.4 t -48.25 -30.96 2.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.328 -0.857 . . . . 0.0 109.032 179.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.802 ' CE1' HD12 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -61.31 -47.62 85.1 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.272 -0.893 . . . . 0.0 109.529 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.418 ' O ' ' HA3' ' A' ' 19' ' ' GLY . 6.1 m-70 -64.9 -10.75 31.1 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.248 -0.907 . . . . 0.0 109.545 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -93.93 -71.26 0.67 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.241 -0.912 . . . . 0.0 109.697 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.447 ' O ' ' HG2' ' A' ' 20' ' ' ARG . 58.0 m-85 -67.75 -51.93 43.32 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.327 -0.858 . . . . 0.0 109.729 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.501 ' HB2' ' HG ' ' A' ' 27' ' ' LEU . 8.3 t -84.03 -3.46 58.04 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.146 -0.971 . . . . 0.0 109.817 -179.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.418 ' HA3' ' O ' ' A' ' 15' ' ' HIS . . . -108.75 39.15 3.01 Favored Glycine 0 N--CA 1.488 2.136 0 N-CA-C 109.761 -1.335 . . . . 0.0 109.761 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.447 ' HG2' ' O ' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -132.92 0.24 3.48 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.231 -1.158 . . . . 0.0 109.84 -179.871 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.469 ' O ' ' O ' ' A' ' 22' ' ' GLY . 3.3 tt0 -170.14 -55.93 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.096 -1.002 . . . . 0.0 109.697 -179.723 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.469 ' O ' ' O ' ' A' ' 21' ' ' GLU . . . -55.73 -162.38 0.02 OUTLIER Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.654 -1.378 . . . . 0.0 109.654 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.61 24.68 1.64 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.188 -1.183 . . . . 0.0 109.81 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.5 mttm 61.05 18.74 9.26 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.123 -0.986 . . . . 0.0 109.476 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.51 ' CD2' ' CD2' ' B' ' 88' ' ' PHE . 30.4 m80 -153.58 18.88 0.54 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.254 -0.904 . . . . 0.0 109.538 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -150.04 129.61 13.1 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.249 -0.907 . . . . 0.0 109.258 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.802 HD12 ' CE1' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -105.12 -157.1 0.6 Allowed 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.364 -0.835 . . . . 0.0 109.412 -179.781 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.521 ' O ' ' CB ' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -145.53 170.51 16.26 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.305 -0.872 . . . . 0.0 108.939 179.838 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.487 ' HD2' ' HA3' ' A' ' 66' ' ' GLY . 4.1 mtpm? -79.01 -28.35 43.34 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.169 -0.957 . . . . 0.0 109.097 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.5 t -79.41 -35.45 40.57 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.459 -0.775 . . . . 0.0 109.422 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.555 ' HB3' ' CD2' ' A' ' 27' ' ' LEU . 0.4 OUTLIER -86.85 -21.1 26.6 Favored 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 179.197 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.53 HD21 ' CD2' ' A' ' 76' ' ' PHE . 23.3 tp -78.77 -35.19 44.87 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 107.427 -1.324 . . . . 0.0 107.427 178.307 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.673 ' HG3' HD13 ' A' ' 60' ' ' LEU . 7.3 ttpp -62.37 -44.28 96.83 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 178.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.539 ' HG3' ' N ' ' A' ' 35' ' ' LEU . 5.9 pt-20 -68.42 -40.28 81.28 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 179.159 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.773 ' CD1' HD22 ' B' ' 3' ' ' LEU . 0.1 OUTLIER -49.89 -50.91 44.25 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 179.154 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.863 HG23 HD22 ' A' ' 40' ' ' LEU . 0.7 OUTLIER -64.51 -56.92 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 CA-C-O 121.813 0.816 . . . . 0.0 109.196 179.66 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.51 ' O ' ' HB3' ' A' ' 41' ' ' SER . 4.8 t30 -63.87 1.94 0.57 Allowed 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.441 -0.787 . . . . 0.0 110.615 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -87.01 -52.05 5.67 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.697 -1.252 . . . . 0.0 108.713 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.879 ' HG2' HD12 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -106.14 -49.68 3.32 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 179.352 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.879 HD12 ' HG2' ' A' ' 39' ' ' GLU . 9.2 mp -58.29 -44.61 88.59 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.596 -0.69 . . . . 0.0 109.945 -178.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.51 ' HB3' ' O ' ' A' ' 37' ' ' ASN . 2.1 t -41.63 -28.18 0.13 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.531 -0.731 . . . . 0.0 109.562 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.442 ' N ' ' O ' ' A' ' 40' ' ' LEU . 1.5 t-80 -58.41 -54.34 48.09 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.203 -0.936 . . . . 0.0 109.47 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.521 ' CD1' ' N ' ' A' ' 43' ' ' PHE . 0.8 OUTLIER -75.44 0.69 16.21 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.134 -0.979 . . . . 0.0 109.732 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.44 ' HB2' ' HA ' ' A' ' 41' ' ' SER . 2.6 tt -75.06 106.02 6.37 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.19 -0.944 . . . . 0.0 109.632 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.49 -45.1 0.11 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.403 -0.811 . . . . 0.0 109.245 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -123.41 -40.97 2.32 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.324 -0.86 . . . . 0.0 109.04 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.421 HG23 ' O ' ' A' ' 83' ' ' ALA . 70.0 mt 60.16 85.77 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.479 -0.763 . . . . 0.0 109.811 179.604 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.7 tttm -61.57 -41.9 98.07 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.2 -0.938 . . . . 0.0 108.98 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.872 ' OE1' HG23 ' A' ' 52' ' ' VAL . 8.3 mm-40 -89.89 77.23 7.0 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.456 -0.778 . . . . 0.0 109.083 179.616 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.452 ' O ' ' HB2' ' A' ' 54' ' ' ASP . 4.9 tt0 -62.92 -26.72 68.94 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.266 -0.896 . . . . 0.0 109.694 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -76.41 -28.94 56.87 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.088 -1.008 . . . . 0.0 109.661 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.872 HG23 ' OE1' ' A' ' 49' ' ' GLU . 81.8 t -72.89 -51.29 27.68 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.126 -0.984 . . . . 0.0 109.609 -179.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.456 HG22 HG12 ' A' ' 80' ' ' VAL . 77.4 t -72.55 -28.0 27.09 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.176 -0.953 . . . . 0.0 109.309 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.476 ' O ' ' HG3' ' A' ' 58' ' ' GLU . 1.2 m-20 -77.29 -20.15 55.46 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.146 -0.971 . . . . 0.0 108.734 179.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.06 -53.72 6.72 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.328 -0.858 . . . . 0.0 109.023 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.715 HG21 HG13 ' A' ' 80' ' ' VAL . 11.4 m -67.4 -41.0 85.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.098 -1.001 . . . . 0.0 108.84 179.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.41 ' N ' HG23 ' A' ' 56' ' ' VAL . 0.8 OUTLIER -66.86 -24.77 66.17 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.587 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.476 ' HG3' ' O ' ' A' ' 54' ' ' ASP . 0.3 OUTLIER -72.41 -55.18 7.46 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.415 -0.803 . . . . 0.0 109.214 179.623 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.63 -27.33 68.59 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.075 -1.016 . . . . 0.0 108.362 179.356 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.673 HD13 ' HG3' ' A' ' 33' ' ' LYS . 9.7 mt -65.77 -52.81 47.8 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.684 -0.635 . . . . 0.0 109.456 179.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.74 -14.87 61.2 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.538 -0.726 . . . . 0.0 110.001 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -66.1 -63.4 1.09 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.153 -0.967 . . . . 0.0 109.642 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.468 ' HB2' ' HE3' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -82.38 -68.91 0.66 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.348 -0.845 . . . . 0.0 109.623 -179.875 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 90.74 -39.88 3.05 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.531 -1.427 . . . . 0.0 109.531 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -124.36 49.45 1.8 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.232 -1.158 . . . . 0.0 109.335 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.487 ' HA3' ' HD2' ' A' ' 29' ' ' LYS . . . -108.94 -171.13 20.9 Favored Glycine 0 N--CA 1.486 1.991 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -124.78 142.18 51.59 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.252 -1.146 . . . . 0.0 109.586 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 56.1 m -113.42 162.68 15.82 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.257 -0.902 . . . . 0.0 109.372 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -92.68 172.29 8.45 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.218 -0.926 . . . . 0.0 109.455 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.615 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 24.8 p90 -70.13 -39.12 75.61 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.222 -0.924 . . . . 0.0 109.319 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.932 ' HA ' HG21 ' B' ' 82' ' ' THR . 0.0 OUTLIER -78.49 -29.31 46.63 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.274 -0.891 . . . . 0.0 109.381 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.87 -59.0 3.63 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.135 -0.978 . . . . 0.0 109.0 179.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.682 ' CD2' ' CE1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -51.23 -22.08 2.47 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.223 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.799 ' CE ' HD22 ' A' ' 10' ' ' LEU . 0.6 OUTLIER -74.56 -64.45 1.03 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.373 -0.829 . . . . 0.0 109.794 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.493 ' O ' ' HG2' ' A' ' 79' ' ' MET . . . -58.99 -15.28 12.29 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.426 -0.796 . . . . 0.0 109.571 -179.365 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.662 ' O ' HG22 ' A' ' 80' ' ' VAL . 0.1 OUTLIER -79.64 -46.85 16.42 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.496 -0.753 . . . . 0.0 109.345 179.673 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.593 HG11 HD21 ' A' ' 10' ' ' LEU . 76.6 t -63.97 -27.93 43.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.368 -0.832 . . . . 0.0 110.225 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.52 ' HA ' ' HE3' ' B' ' 7' ' ' MET . 16.4 m -80.2 -45.76 17.49 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.115 -0.991 . . . . 0.0 111.341 -178.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.518 ' SD ' ' CG1' ' A' ' 56' ' ' VAL . 5.3 ptm -56.77 -38.23 72.2 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.91 -1.119 . . . . 0.0 111.15 -178.373 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.825 ' HB ' HD23 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -77.73 -33.36 18.82 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.026 -1.046 . . . . 0.0 110.823 -179.12 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.673 HG21 ' SD ' ' B' ' 7' ' ' MET . 1.7 m -65.31 -13.87 59.47 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 120.726 -1.234 . . . . 0.0 109.628 -179.547 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.951 HG21 ' HA ' ' B' ' 71' ' ' GLN . 1.5 p -105.1 -14.68 15.31 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.221 -0.924 . . . . 0.0 109.426 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.579 ' HB2' HG11 ' A' ' 52' ' ' VAL . . . -101.23 4.48 41.89 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.329 -0.857 . . . . 0.0 109.453 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.502 ' HB3' ' HB2' ' A' ' 43' ' ' PHE . 36.1 m -94.13 -22.73 18.29 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.226 -0.921 . . . . 0.0 109.53 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.555 ' O ' ' CB ' ' A' ' 86' ' ' GLU . 0.2 OUTLIER 72.81 -153.13 0.07 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.347 -0.846 . . . . 0.0 109.266 -179.824 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.555 ' CB ' ' O ' ' A' ' 85' ' ' HIS . 0.5 OUTLIER 81.85 -68.29 0.09 Allowed 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 -179.633 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.681 ' CE2' HD12 ' B' ' 11' ' ' ILE . 0.0 OUTLIER -61.32 -37.46 83.34 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.278 -0.889 . . . . 0.0 108.818 179.547 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.468 ' CE1' ' CD2' ' A' ' 87' ' ' PHE . 87.2 m-85 -71.23 -16.38 62.49 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.386 -0.821 . . . . 0.0 109.748 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.523 ' O ' ' CB ' ' A' ' 90' ' ' HIS . 1.7 mm-40 -79.38 -5.61 54.99 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.234 -0.916 . . . . 0.0 109.584 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.523 ' CB ' ' O ' ' A' ' 89' ' ' GLU . 1.9 t-80 78.49 -4.45 2.16 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.34 -0.85 . . . . 0.0 110.186 179.593 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 57.6 tt0 . . . . . 0 N--CA 1.491 1.621 0 O-C-N 121.027 -1.046 . . . . 0.0 109.379 179.734 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 1.8 t -143.06 152.84 42.32 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.231 -0.918 . . . . 0.0 109.475 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.957 ' HB2' HG22 ' A' ' 13' ' ' VAL . 55.6 mm-40 -73.88 -42.93 59.99 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.233 -0.917 . . . . 0.0 109.532 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.773 HD22 ' CD1' ' A' ' 35' ' ' LEU . 3.3 tp -65.61 -38.99 91.02 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.346 -0.847 . . . . 0.0 110.108 -179.608 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.479 ' HA ' ' OE2' ' A' ' 39' ' ' GLU . 1.1 tm-20 -66.34 -56.25 12.01 Favored 'General case' 0 C--N 1.294 -1.826 0 O-C-N 120.973 -1.079 . . . . 0.0 110.31 -178.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.794 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 8.6 ptmt -62.09 -28.77 69.85 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 120.704 -1.248 . . . . 0.0 109.694 -179.498 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.816 ' CB ' ' HB3' ' A' ' 9' ' ' ALA . . . -81.3 -73.54 0.37 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.119 -0.988 . . . . 0.0 110.33 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . 0.673 ' SD ' HG21 ' A' ' 81' ' ' THR . 9.5 tpp -49.62 -54.36 18.86 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.537 -0.727 . . . . 0.0 109.757 -179.417 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.773 HG23 ' OE2' ' A' ' 39' ' ' GLU . 6.7 t -62.52 -29.75 47.56 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.593 0 O-C-N 121.305 -0.872 . . . . 0.0 110.197 -179.028 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.825 ' HB3' ' CB ' ' A' ' 6' ' ' ALA . . . -64.85 -37.37 87.41 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.729 -1.232 . . . . 0.0 108.903 179.671 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.787 HD22 ' CE ' ' B' ' 74' ' ' MET . 0.2 OUTLIER -55.76 -50.58 70.01 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 179.263 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.681 HD12 ' CE2' ' A' ' 87' ' ' PHE . 28.1 mm -49.07 -34.38 6.52 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 178.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.456 ' HB3' ' O ' ' B' ' 9' ' ' ALA . 36.5 t0 -57.66 -53.62 56.1 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 179.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.955 HG22 ' HB2' ' A' ' 2' ' ' GLU . 67.4 t -48.34 -30.93 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.375 -0.828 . . . . 0.0 108.954 179.63 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.793 ' CE1' HD12 ' B' ' 27' ' ' LEU . 0.3 OUTLIER -61.25 -47.73 84.69 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.215 -0.928 . . . . 0.0 109.39 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . 0.419 ' O ' ' HA3' ' B' ' 19' ' ' GLY . 6.1 m-70 -64.85 -10.77 30.84 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.198 -0.939 . . . . 0.0 109.557 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -93.9 -71.26 0.67 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.314 -0.866 . . . . 0.0 109.661 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.455 ' O ' ' HG2' ' B' ' 20' ' ' ARG . 57.8 m-85 -67.81 -51.88 43.46 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.306 -0.871 . . . . 0.0 109.858 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.511 ' HB2' ' HG ' ' B' ' 27' ' ' LEU . 8.4 t -83.98 -3.43 57.99 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.225 -0.922 . . . . 0.0 109.83 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . 0.419 ' HA3' ' O ' ' B' ' 15' ' ' HIS . . . -108.83 39.27 2.96 Favored Glycine 0 N--CA 1.488 2.106 0 N-CA-C 109.702 -1.359 . . . . 0.0 109.702 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.455 ' HG2' ' O ' ' B' ' 17' ' ' TYR . 0.0 OUTLIER -132.92 0.25 3.48 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.182 -1.187 . . . . 0.0 109.801 -179.9 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.477 ' O ' ' O ' ' B' ' 22' ' ' GLY . 3.3 tt0 -170.12 -56.02 0.02 OUTLIER 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.066 -1.021 . . . . 0.0 109.706 -179.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . 0.477 ' O ' ' O ' ' B' ' 21' ' ' GLU . . . -55.65 -162.36 0.02 OUTLIER Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.661 -1.376 . . . . 0.0 109.661 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.58 24.63 1.64 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.245 -1.15 . . . . 0.0 109.711 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 11.6 mttm 60.92 18.74 9.11 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.159 -0.963 . . . . 0.0 109.485 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . 0.433 ' CD2' ' CD2' ' A' ' 88' ' ' PHE . 30.4 m80 -153.45 18.87 0.55 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.25 -0.906 . . . . 0.0 109.62 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -150.03 129.56 13.06 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.305 -0.872 . . . . 0.0 109.192 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.793 HD12 ' CE1' ' B' ' 14' ' ' PHE . 0.2 OUTLIER -105.05 -157.13 0.6 Allowed 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.272 -0.893 . . . . 0.0 109.352 -179.77 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.521 ' O ' ' CB ' ' B' ' 32' ' ' LEU . 0.1 OUTLIER -145.51 170.54 16.2 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.815 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.496 ' HD2' ' HA3' ' B' ' 66' ' ' GLY . 4.1 mtpm? -79.03 -28.38 43.29 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.179 -0.95 . . . . 0.0 109.1 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 5.5 t -79.36 -35.32 41.06 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.333 -0.855 . . . . 0.0 109.504 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.546 ' HB3' ' CD2' ' B' ' 27' ' ' LEU . 0.4 OUTLIER -86.95 -21.05 26.46 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 179.179 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.525 ' O ' HG13 ' B' ' 36' ' ' ILE . 23.2 tp -78.81 -35.13 44.69 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 178.365 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.659 ' HG3' HD13 ' B' ' 60' ' ' LEU . 7.4 ttpp -62.42 -44.25 96.87 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 178.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.536 ' HG3' ' N ' ' B' ' 35' ' ' LEU . 5.9 pt-20 -68.41 -40.23 81.33 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 179.197 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.806 ' CD1' HD22 ' A' ' 3' ' ' LEU . 0.1 OUTLIER -49.91 -51.1 43.37 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 179.145 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.848 HG23 HD22 ' B' ' 40' ' ' LEU . 0.7 OUTLIER -64.31 -56.89 13.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.413 -0.804 . . . . 0.0 109.252 179.654 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.507 ' O ' ' HB3' ' B' ' 41' ' ' SER . 4.9 t30 -63.92 1.96 0.58 Allowed 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.472 -0.768 . . . . 0.0 110.726 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -86.96 -51.96 5.73 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.752 -1.218 . . . . 0.0 108.778 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.9 ' HG2' HD12 ' B' ' 40' ' ' LEU . 0.0 OUTLIER -106.16 -49.73 3.31 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.334 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.9 HD12 ' HG2' ' B' ' 39' ' ' GLU . 9.2 mp -58.31 -44.56 88.66 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.724 -0.61 . . . . 0.0 109.923 -178.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.507 ' HB3' ' O ' ' B' ' 37' ' ' ASN . 2.1 t -41.59 -28.16 0.12 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.495 -0.753 . . . . 0.0 109.688 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . 0.441 ' N ' ' O ' ' B' ' 40' ' ' LEU . 1.5 t-80 -58.53 -54.21 49.6 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.158 -0.963 . . . . 0.0 109.471 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . 0.544 ' CD1' ' N ' ' B' ' 43' ' ' PHE . 0.8 OUTLIER -75.51 0.67 16.44 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.227 -0.92 . . . . 0.0 109.722 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.445 ' HB2' ' HA ' ' B' ' 41' ' ' SER . 2.5 tt -75.03 106.04 6.34 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.206 -0.934 . . . . 0.0 109.597 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.46 -45.14 0.11 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.368 -0.832 . . . . 0.0 109.182 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -123.37 -41.01 2.32 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.375 -0.828 . . . . 0.0 109.116 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.419 HG23 ' O ' ' B' ' 83' ' ' ALA . 69.6 mt 60.11 85.82 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.284 -0.885 . . . . 0.0 109.864 179.666 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 6.7 tttm -61.53 -42.02 98.2 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.136 -0.978 . . . . 0.0 108.98 179.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.847 ' OE1' HG23 ' B' ' 52' ' ' VAL . 8.4 mm-40 -89.84 77.11 7.06 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.379 -0.825 . . . . 0.0 109.172 179.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . 0.457 ' O ' ' HB2' ' B' ' 54' ' ' ASP . 4.9 tt0 -62.82 -26.84 68.94 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.317 -0.865 . . . . 0.0 109.672 -179.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -76.21 -29.07 57.48 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.077 -1.014 . . . . 0.0 109.754 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.847 HG23 ' OE1' ' B' ' 49' ' ' GLU . 81.8 t -72.89 -51.18 28.15 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.263 -0.898 . . . . 0.0 109.668 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.449 HG22 HG12 ' B' ' 80' ' ' VAL . 78.1 t -72.62 -27.99 26.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.195 -0.941 . . . . 0.0 109.275 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . 0.475 ' O ' ' HG3' ' B' ' 58' ' ' GLU . 1.2 m-20 -77.32 -20.08 55.45 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.165 -0.959 . . . . 0.0 108.792 179.362 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.05 -53.63 6.82 Favored 'General case' 0 N--CA 1.486 1.331 0 O-C-N 121.248 -0.907 . . . . 0.0 109.066 179.684 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.716 HG21 HG13 ' B' ' 80' ' ' VAL . 11.5 m -67.48 -41.0 85.54 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.144 -0.973 . . . . 0.0 108.89 179.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.412 ' N ' HG23 ' B' ' 56' ' ' VAL . 0.8 OUTLIER -66.78 -24.73 66.23 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 179.583 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' B' ' 54' ' ' ASP . 0.3 OUTLIER -72.46 -55.23 7.33 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.362 -0.836 . . . . 0.0 109.251 179.639 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.58 -27.36 68.58 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 179.395 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.659 HD13 ' HG3' ' B' ' 33' ' ' LYS . 9.7 mt -65.71 -52.92 47.5 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-O 121.5 0.667 . . . . 0.0 109.5 179.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.63 -14.94 61.26 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.456 -0.778 . . . . 0.0 109.941 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -66.07 -63.46 1.08 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.128 -0.983 . . . . 0.0 109.65 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.475 ' HB2' ' HE3' ' B' ' 29' ' ' LYS . 0.4 OUTLIER -82.45 -68.91 0.66 Allowed 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.323 -0.861 . . . . 0.0 109.564 -179.891 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 90.87 -39.93 3.04 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.431 -1.468 . . . . 0.0 109.431 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -124.41 49.51 1.79 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.356 -1.085 . . . . 0.0 109.376 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.496 ' HA3' ' HD2' ' B' ' 29' ' ' LYS . . . -109.03 -171.16 20.84 Favored Glycine 0 N--CA 1.487 2.1 0 N-CA-C 109.625 -1.39 . . . . 0.0 109.625 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -124.86 142.11 51.67 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.289 -1.124 . . . . 0.0 109.668 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 56.1 m -113.29 162.68 15.74 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.332 -0.855 . . . . 0.0 109.406 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -92.63 172.23 8.49 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.236 -0.915 . . . . 0.0 109.404 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.616 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 24.6 p90 -70.16 -39.14 75.49 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.213 -0.93 . . . . 0.0 109.276 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.951 ' HA ' HG21 ' A' ' 82' ' ' THR . 0.0 OUTLIER -78.46 -29.26 46.79 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.231 -0.918 . . . . 0.0 109.393 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.87 -59.13 3.53 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.136 -0.978 . . . . 0.0 108.978 179.58 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.681 ' CD2' ' CE1' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -51.09 -22.14 2.28 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 179.236 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.787 ' CE ' HD22 ' B' ' 10' ' ' LEU . 0.6 OUTLIER -74.6 -64.43 1.03 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.39 -0.819 . . . . 0.0 109.798 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.492 ' O ' ' HG2' ' B' ' 79' ' ' MET . . . -58.95 -15.26 12.05 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.508 -0.745 . . . . 0.0 109.51 -179.349 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.662 ' O ' HG22 ' B' ' 80' ' ' VAL . 0.1 OUTLIER -79.72 -46.91 16.18 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.431 -0.793 . . . . 0.0 109.332 179.726 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.593 HG11 HD21 ' B' ' 10' ' ' LEU . 76.4 t -64.01 -27.84 43.64 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 121.307 -0.87 . . . . 0.0 110.227 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . 0.543 ' HA ' ' HE3' ' A' ' 7' ' ' MET . 16.3 m -80.19 -45.77 17.49 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.073 -1.017 . . . . 0.0 111.396 -178.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . 0.52 ' SD ' ' CG1' ' B' ' 56' ' ' VAL . 5.3 ptm -56.72 -38.24 72.07 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.042 -1.037 . . . . 0.0 111.104 -178.401 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.851 ' HB ' HD23 ' B' ' 40' ' ' LEU . 0.0 OUTLIER -77.74 -33.45 18.91 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 120.942 -1.099 . . . . 0.0 110.793 -179.027 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.668 HG21 ' SD ' ' A' ' 7' ' ' MET . 1.7 m -65.22 -13.93 59.47 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.627 -1.295 . . . . 0.0 109.638 -179.527 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.932 HG21 ' HA ' ' A' ' 71' ' ' GLN . 1.5 p -105.01 -14.74 15.32 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.133 -0.98 . . . . 0.0 109.481 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.593 ' HB2' HG11 ' B' ' 52' ' ' VAL . . . -101.14 4.49 42.12 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.263 -0.898 . . . . 0.0 109.588 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . 0.489 ' HB3' ' HB2' ' B' ' 43' ' ' PHE . 37.1 m -94.02 -22.87 18.27 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.228 -0.92 . . . . 0.0 109.568 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . 0.56 ' O ' ' CB ' ' B' ' 86' ' ' GLU . 0.2 OUTLIER 72.81 -153.19 0.07 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.228 -0.92 . . . . 0.0 109.244 -179.778 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . 0.56 ' CB ' ' O ' ' B' ' 85' ' ' HIS . 0.5 OUTLIER 81.89 -68.12 0.09 Allowed 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.597 -0.689 . . . . 0.0 109.148 -179.653 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . 0.684 ' CE2' HD12 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -61.55 -37.37 83.54 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.334 -0.854 . . . . 0.0 108.876 179.546 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.51 ' CD2' ' CD2' ' A' ' 25' ' ' HIS . 87.2 m-85 -71.08 -16.55 62.59 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.296 -0.878 . . . . 0.0 109.734 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.526 ' O ' ' CB ' ' B' ' 90' ' ' HIS . 1.7 mm-40 -79.34 -5.55 54.77 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.254 -0.904 . . . . 0.0 109.626 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . 0.526 ' CB ' ' O ' ' B' ' 89' ' ' GLU . 1.9 t-80 78.37 -4.39 2.18 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.354 -0.841 . . . . 0.0 110.173 179.575 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 57.9 tt0 . . . . . 0 N--CA 1.492 1.648 0 O-C-N 120.966 -1.084 . . . . 0.0 109.368 179.703 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 12.7 ttp . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 121.185 0.517 . . . . 0.0 109.626 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.424 ' OG ' ' HB2' ' A' ' 4' ' ' GLU . 53.1 p -105.44 -172.54 2.11 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.222 -0.924 . . . . 0.0 109.452 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.731 ' HB2' HG22 ' B' ' 13' ' ' VAL . 36.5 mm-40 -80.39 -43.75 20.52 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.189 -0.944 . . . . 0.0 109.677 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.7 HD23 ' HG ' ' B' ' 40' ' ' LEU . 3.4 tp -70.14 -33.85 72.31 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.229 -0.919 . . . . 0.0 109.657 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.599 ' O ' HG23 ' A' ' 8' ' ' VAL . 1.6 mt-10 -69.79 -62.56 1.33 Allowed 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.415 -0.803 . . . . 0.0 110.165 -179.399 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.848 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.1 OUTLIER -58.73 -33.92 70.77 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.219 -0.926 . . . . 0.0 109.698 -179.218 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.533 ' N ' ' HD3' ' A' ' 5' ' ' LYS . . . -80.75 -71.1 0.48 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.034 -1.041 . . . . 0.0 110.135 -179.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.904 ' HG3' HG21 ' B' ' 81' ' ' THR . 6.7 tpt -47.64 -55.01 10.3 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.421 -0.799 . . . . 0.0 109.676 -179.634 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 4' ' ' GLU . 6.1 t -60.31 -34.4 57.36 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 O-C-N 121.47 -0.769 . . . . 0.0 109.367 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.848 ' HB2' ' O ' ' A' ' 5' ' ' LYS . . . -59.87 -34.51 73.23 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.136 -0.977 . . . . 0.0 108.643 179.272 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.974 HD22 ' HE3' ' A' ' 74' ' ' MET . 0.4 OUTLIER -57.43 -41.33 80.24 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.314 -0.866 . . . . 0.0 108.777 179.458 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.604 ' N ' HD12 ' A' ' 11' ' ' ILE . 1.4 mp -58.84 -35.06 54.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 179.422 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 13' ' ' VAL . 11.8 t0 -62.49 -52.18 64.53 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.418 -0.801 . . . . 0.0 109.429 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.736 HG22 ' HB2' ' B' ' 2' ' ' GLU . 54.5 t -43.68 -36.76 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.375 -0.828 . . . . 0.0 109.498 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.494 ' CE1' ' HG ' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -62.72 -47.21 84.57 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.214 -0.929 . . . . 0.0 109.623 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -73.05 -2.0 19.51 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.219 -0.926 . . . . 0.0 109.692 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.84 -44.85 8.27 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.083 -1.011 . . . . 0.0 109.584 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.507 ' HE1' HG13 ' A' ' 13' ' ' VAL . 95.8 m-85 -87.94 -57.38 2.96 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.197 -0.94 . . . . 0.0 109.617 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.9 t -64.03 -25.85 68.3 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.184 -0.948 . . . . 0.0 109.748 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.43 ' HA2' ' HD2' ' A' ' 24' ' ' LYS . . . -56.53 -26.63 52.75 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.655 -1.378 . . . . 0.0 109.655 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.412 ' O ' ' O ' ' A' ' 21' ' ' GLU . 49.6 mtp180 -47.75 -78.46 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.223 -1.163 . . . . 0.0 109.677 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.412 ' O ' ' O ' ' A' ' 20' ' ' ARG . 0.8 OUTLIER -55.65 -168.27 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.277 -0.89 . . . . 0.0 109.861 -179.798 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.479 ' O ' ' HG3' ' A' ' 24' ' ' LYS . . . -90.53 -33.27 8.67 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.844 -1.302 . . . . 0.0 109.844 -179.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.2 -62.74 1.37 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.287 -1.126 . . . . 0.0 109.661 -179.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.479 ' HG3' ' O ' ' A' ' 22' ' ' GLY . 25.4 mtmm 56.24 22.81 6.5 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.118 -0.989 . . . . 0.0 109.84 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 36.0 m80 -142.35 10.43 1.89 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.178 -0.951 . . . . 0.0 109.584 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.53 130.24 13.19 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.167 -0.958 . . . . 0.0 109.168 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.494 ' HG ' ' CE1' ' A' ' 14' ' ' PHE . 1.1 mt -102.0 -156.96 0.58 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.168 -0.958 . . . . 0.0 109.22 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -150.74 169.32 21.93 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.092 -1.005 . . . . 0.0 109.351 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.548 ' HG3' ' CA ' ' A' ' 64' ' ' GLY . 1.1 ptmt -78.01 -19.93 53.47 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.109 -0.994 . . . . 0.0 109.363 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.9 -44.32 20.61 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.241 -0.912 . . . . 0.0 109.029 179.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.507 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 7.7 tt0 -78.56 -16.87 56.94 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 179.009 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.506 ' O ' HG13 ' A' ' 36' ' ' ILE . 30.3 tp -80.31 -41.24 25.26 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 178.508 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.779 ' HB2' HD22 ' A' ' 60' ' ' LEU . 2.5 tttt -56.71 -44.24 81.35 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.521 ' HG3' ' N ' ' A' ' 35' ' ' LEU . 9.9 pt-20 -71.5 -39.49 70.78 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 179.233 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.599 HD11 HG11 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -48.67 -42.94 36.21 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 179.625 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -80.64 -58.32 3.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.254 -0.904 . . . . 0.0 110.114 -179.649 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.514 ' O ' ' CB ' ' A' ' 41' ' ' SER . 43.7 t-20 -68.61 -62.75 1.25 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.239 -0.913 . . . . 0.0 109.986 -179.239 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.486 ' HB3' ' O ' ' A' ' 34' ' ' GLU . 0.3 OUTLIER -43.41 -52.22 6.09 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.139 -0.975 . . . . 0.0 110.242 -179.589 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.471 ' HB2' ' O ' ' A' ' 35' ' ' LEU . 24.4 mm-40 -79.23 -79.58 0.13 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.107 -0.996 . . . . 0.0 110.361 -179.258 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.705 ' HG ' HD23 ' B' ' 3' ' ' LEU . 45.9 mt -58.5 -94.24 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.091 -1.005 . . . . 0.0 110.058 -179.03 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.514 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 4.3 t 52.49 20.27 1.41 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.07 -1.019 . . . . 0.0 109.536 -179.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -96.42 -26.13 15.44 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.151 -0.968 . . . . 0.0 109.425 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -117.2 56.14 0.83 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.322 -0.861 . . . . 0.0 109.432 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.09 54.53 1.95 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.176 -0.952 . . . . 0.0 109.591 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -99.17 -72.82 0.65 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.249 -0.907 . . . . 0.0 109.365 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.433 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 48.3 mt-10 -97.74 -24.59 15.41 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.266 -0.896 . . . . 0.0 109.397 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.433 ' HB ' ' O ' ' A' ' 46' ' ' GLU . 23.0 mt 61.04 111.51 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.252 -0.905 . . . . 0.0 109.73 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.412 ' HB2' ' HA ' ' A' ' 85' ' ' HIS . 0.1 OUTLIER -91.18 -43.96 9.54 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.274 -0.891 . . . . 0.0 109.326 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.862 ' OE1' HG23 ' A' ' 52' ' ' VAL . 7.4 mm-40 -85.2 64.61 8.77 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.251 -0.905 . . . . 0.0 109.077 179.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.552 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 0.9 OUTLIER -46.88 -24.82 0.65 Allowed 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.19 -0.944 . . . . 0.0 110.08 -179.609 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -80.58 -41.3 24.26 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.002 -1.061 . . . . 0.0 110.424 -179.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.862 HG23 ' OE1' ' A' ' 49' ' ' GLU . 98.2 t -69.12 -46.29 78.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.025 -1.047 . . . . 0.0 109.9 -179.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.464 HG23 ' CB ' ' A' ' 83' ' ' ALA . 59.3 t -75.14 -29.99 22.53 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 O-C-N 121.178 -0.951 . . . . 0.0 109.747 -179.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.552 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 33.8 t70 -80.47 -20.42 43.75 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.02 -1.05 . . . . 0.0 109.096 179.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.417 ' C ' ' CD ' ' A' ' 55' ' ' LYS . 0.5 OUTLIER -77.27 -43.15 34.33 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 121.197 -0.94 . . . . 0.0 109.104 179.85 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.972 HG21 ' CG1' ' A' ' 80' ' ' VAL . 7.5 m -78.16 -37.12 22.12 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 O-C-N 121.096 -1.002 . . . . 0.0 108.884 179.382 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 36.3 tpp -71.36 -23.77 61.96 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 179.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.475 ' O ' ' HB2' ' A' ' 62' ' ' GLU . 3.9 mt-10 -75.46 -51.5 12.88 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.238 -0.914 . . . . 0.0 109.364 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.4 m -64.82 -33.1 75.19 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 179.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.779 HD22 ' HB2' ' A' ' 33' ' ' LYS . 9.7 mt -61.52 -53.11 60.71 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 179.384 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.37 -6.95 58.83 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.46 -0.775 . . . . 0.0 109.557 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.475 ' HB2' ' O ' ' A' ' 58' ' ' GLU . 3.8 tt0 -66.97 -40.86 87.56 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.106 -0.996 . . . . 0.0 109.691 -179.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.521 ' CB ' ' HE2' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -125.14 -55.72 1.56 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.268 -0.895 . . . . 0.0 109.802 -179.753 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.548 ' CA ' ' HG3' ' A' ' 29' ' ' LYS . . . 89.73 -52.41 3.64 Favored Glycine 0 N--CA 1.49 2.3 0 N-CA-C 109.365 -1.494 . . . . 0.0 109.365 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -105.26 89.32 3.09 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.28 -1.13 . . . . 0.0 109.361 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.54 ' N ' ' HD3' ' A' ' 29' ' ' LYS . . . -147.25 175.71 26.48 Favored Glycine 0 N--CA 1.488 2.134 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -110.45 125.09 52.91 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.289 -1.124 . . . . 0.0 109.702 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.2 m -106.96 173.83 6.15 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.354 -0.841 . . . . 0.0 109.104 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.402 ' H ' ' HB2' ' A' ' 72' ' ' GLU . 35.6 m-20 -115.18 -176.23 2.87 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.203 -0.935 . . . . 0.0 109.198 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.468 ' CE1' ' SD ' ' A' ' 74' ' ' MET . 10.2 t80 -74.39 -49.04 24.22 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.092 -1.005 . . . . 0.0 109.277 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.7 ' HA ' HG21 ' B' ' 82' ' ' THR . 0.0 OUTLIER -61.86 -23.04 66.02 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.243 -0.911 . . . . 0.0 109.333 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.45 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 0.5 OUTLIER -79.28 -54.32 6.07 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.215 -0.928 . . . . 0.0 109.086 179.721 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.754 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.1 OUTLIER -60.32 -21.44 62.03 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 179.261 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.974 ' HE3' HD22 ' A' ' 10' ' ' LEU . 0.7 OUTLIER -77.98 -60.1 2.51 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.376 -0.828 . . . . 0.0 109.334 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.517 ' O ' ' HG2' ' A' ' 79' ' ' MET . . . -62.49 -17.0 58.64 Favored 'General case' 0 C--N 1.302 -1.499 0 C-N-CA 119.676 -0.809 . . . . 0.0 109.48 -179.622 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.714 ' O ' HG22 ' A' ' 80' ' ' VAL . 0.3 OUTLIER -81.47 -43.44 18.84 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.313 -0.867 . . . . 0.0 109.789 179.867 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.761 HG12 ' SD ' ' B' ' 7' ' ' MET . 53.4 t -71.96 -25.33 23.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.339 -0.85 . . . . 0.0 110.341 -179.28 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.436 ' O ' ' OG1' ' A' ' 82' ' ' THR . 57.3 p -76.27 -52.63 9.6 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.144 -0.973 . . . . 0.0 110.758 -178.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.719 ' HB2' HG13 ' A' ' 52' ' ' VAL . 13.8 ptp -58.1 -42.45 85.68 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.945 -1.097 . . . . 0.0 110.281 -179.131 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.972 ' CG1' HG21 ' A' ' 56' ' ' VAL . 9.1 m -65.2 -41.45 91.67 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 O-C-N 121.004 -1.06 . . . . 0.0 110.037 -179.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.931 HG21 ' HG3' ' B' ' 7' ' ' MET . 5.3 m -70.42 -13.21 62.04 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.998 -1.064 . . . . 0.0 109.417 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.853 HG23 ' HG2' ' B' ' 74' ' ' MET . 0.1 OUTLIER -100.33 1.27 41.4 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.22 -0.925 . . . . 0.0 109.61 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.464 ' CB ' HG23 ' A' ' 53' ' ' VAL . . . -101.33 25.55 8.16 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.161 -0.962 . . . . 0.0 109.191 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 85' ' ' HIS . 21.8 p -60.37 134.38 57.01 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.271 -0.893 . . . . 0.0 109.417 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.506 ' H ' ' CD2' ' A' ' 85' ' ' HIS . 0.0 OUTLIER -39.76 -88.91 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.637 -0.664 . . . . 0.0 109.918 -179.589 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -67.07 -177.97 0.72 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.156 -0.965 . . . . 0.0 109.933 -179.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -113.82 105.64 13.51 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.431 -0.793 . . . . 0.0 109.025 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.422 ' CE2' HG23 ' B' ' 11' ' ' ILE . 18.1 m-85 53.84 69.09 0.75 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.144 -0.972 . . . . 0.0 109.134 -179.507 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.456 ' O ' ' HB3' ' A' ' 90' ' ' HIS . 0.4 OUTLIER -152.65 -57.9 0.14 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.054 -1.029 . . . . 0.0 109.923 -179.667 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.572 ' O ' ' CG ' ' A' ' 90' ' ' HIS . 20.7 t-80 61.77 13.88 5.75 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.324 -0.86 . . . . 0.0 109.527 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 . . . . . 0 N--CA 1.491 1.589 0 O-C-N 121.07 -1.018 . . . . 0.0 109.512 179.836 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 12.7 ttp . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . 0.435 ' OG ' ' HB2' ' B' ' 4' ' ' GLU . 53.1 p -105.53 -172.5 2.1 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.225 -0.922 . . . . 0.0 109.41 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.736 ' HB2' HG22 ' A' ' 13' ' ' VAL . 36.4 mm-40 -80.46 -43.72 20.41 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.232 -0.917 . . . . 0.0 109.694 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.705 HD23 ' HG ' ' A' ' 40' ' ' LEU . 3.4 tp -70.08 -33.89 72.48 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.279 -0.888 . . . . 0.0 109.617 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.604 ' O ' HG23 ' B' ' 8' ' ' VAL . 1.6 mt-10 -69.85 -62.54 1.34 Allowed 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.312 -0.867 . . . . 0.0 110.122 -179.309 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.864 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 0.1 OUTLIER -58.81 -33.93 70.93 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.224 -0.923 . . . . 0.0 109.595 -179.14 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.548 ' N ' ' HD3' ' B' ' 5' ' ' LYS . . . -80.8 -71.06 0.48 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.992 -1.068 . . . . 0.0 110.141 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . 0.931 ' HG3' HG21 ' A' ' 81' ' ' THR . 6.6 tpt -47.63 -54.94 10.48 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-O 121.721 0.772 . . . . 0.0 109.628 -179.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.604 HG23 ' O ' ' B' ' 4' ' ' GLU . 6.1 t -60.35 -34.36 57.34 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.579 0 C-N-CA 119.822 -0.751 . . . . 0.0 109.347 -179.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.864 ' HB2' ' O ' ' B' ' 5' ' ' LYS . . . -59.97 -34.55 73.44 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.13 -0.981 . . . . 0.0 108.615 179.288 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.945 HD22 ' HE3' ' B' ' 74' ' ' MET . 0.4 OUTLIER -57.29 -41.39 79.73 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.373 -0.83 . . . . 0.0 108.791 179.412 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.596 ' N ' HD12 ' B' ' 11' ' ' ILE . 1.4 mp -58.83 -35.15 54.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.344 -0.848 . . . . 0.0 108.778 179.417 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' B' ' 13' ' ' VAL . 11.7 t0 -62.42 -52.11 64.85 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.365 -0.835 . . . . 0.0 109.463 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.731 HG22 ' HB2' ' A' ' 2' ' ' GLU . 54.4 t -43.68 -36.82 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.348 -0.845 . . . . 0.0 109.529 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.483 ' CE1' ' HG ' ' B' ' 27' ' ' LEU . 0.6 OUTLIER -62.66 -47.34 84.13 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.241 -0.912 . . . . 0.0 109.574 -179.898 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -72.9 -2.06 19.34 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.112 -0.993 . . . . 0.0 109.694 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.9 -44.84 8.26 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.204 -0.935 . . . . 0.0 109.603 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.518 ' HE1' HG13 ' B' ' 13' ' ' VAL . 95.8 m-85 -87.91 -57.33 2.98 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.273 -0.892 . . . . 0.0 109.69 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 4.9 t -64.1 -25.75 68.24 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.343 -0.848 . . . . 0.0 109.796 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . 0.425 ' HA2' ' HD2' ' B' ' 24' ' ' LYS . . . -56.66 -26.56 53.46 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.651 -1.38 . . . . 0.0 109.651 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.418 ' O ' ' O ' ' B' ' 21' ' ' GLU . 49.8 mtp180 -47.71 -78.48 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.259 -1.141 . . . . 0.0 109.654 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.418 ' O ' ' O ' ' B' ' 20' ' ' ARG . 0.8 OUTLIER -55.61 -168.27 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.373 -0.83 . . . . 0.0 109.889 -179.735 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . 0.481 ' O ' ' HG3' ' B' ' 24' ' ' LYS . . . -90.45 -33.4 8.64 Favored Glycine 0 N--CA 1.49 2.235 0 N-CA-C 109.885 -1.286 . . . . 0.0 109.885 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.08 -62.82 1.32 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.265 -1.138 . . . . 0.0 109.707 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.481 ' HG3' ' O ' ' B' ' 22' ' ' GLY . 25.5 mtmm 56.3 22.87 6.65 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.117 -0.989 . . . . 0.0 109.871 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -142.4 10.4 1.88 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.045 -1.035 . . . . 0.0 109.591 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.53 130.23 13.17 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.217 -0.927 . . . . 0.0 109.206 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.5 ' HA ' HD23 ' B' ' 27' ' ' LEU . 1.1 mt -102.07 -156.98 0.58 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.283 -0.886 . . . . 0.0 109.182 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -150.72 169.34 21.85 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.09 -1.006 . . . . 0.0 109.373 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.538 ' HD3' ' N ' ' B' ' 66' ' ' GLY . 1.1 ptmt -78.05 -19.98 53.27 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.081 -1.012 . . . . 0.0 109.259 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.83 -44.3 20.79 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.236 -0.915 . . . . 0.0 109.051 179.568 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.502 ' O ' ' HG2' ' B' ' 34' ' ' GLU . 7.7 tt0 -78.63 -16.88 56.84 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 179.016 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.51 ' O ' HG13 ' B' ' 36' ' ' ILE . 30.3 tp -80.27 -41.3 25.27 Favored 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 178.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.774 ' HB2' HD22 ' B' ' 60' ' ' LEU . 2.5 tttt -56.81 -44.18 81.72 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 178.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.528 ' HG3' ' N ' ' B' ' 35' ' ' LEU . 9.9 pt-20 -71.49 -39.51 70.82 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.214 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.597 HD11 HG11 ' B' ' 13' ' ' VAL . 0.2 OUTLIER -48.66 -43.03 36.31 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 179.646 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.51 HG13 ' O ' ' B' ' 32' ' ' LEU . 0.4 OUTLIER -80.6 -58.32 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.248 -0.908 . . . . 0.0 110.149 -179.693 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.532 ' O ' ' CB ' ' B' ' 41' ' ' SER . 43.7 t-20 -68.69 -62.73 1.26 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.276 -0.89 . . . . 0.0 109.901 -179.183 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.481 ' HB3' ' O ' ' B' ' 34' ' ' GLU . 0.3 OUTLIER -43.45 -52.18 6.18 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.123 -0.985 . . . . 0.0 110.221 -179.573 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.465 ' HB2' ' O ' ' B' ' 35' ' ' LEU . 24.4 mm-40 -79.3 -79.57 0.13 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.15 -0.968 . . . . 0.0 110.372 -179.254 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.7 ' HG ' HD23 ' A' ' 3' ' ' LEU . 46.1 mt -58.46 -94.19 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.339 0 O-C-N 121.118 -0.989 . . . . 0.0 110.166 -179.114 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.532 ' CB ' ' O ' ' B' ' 37' ' ' ASN . 4.3 t 52.5 20.27 1.42 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.096 -1.003 . . . . 0.0 109.498 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -96.45 -26.24 15.38 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.248 -0.907 . . . . 0.0 109.43 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -117.05 56.09 0.82 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.251 -0.905 . . . . 0.0 109.477 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.11 54.53 1.95 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.281 -0.887 . . . . 0.0 109.557 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -99.2 -72.75 0.65 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.327 -0.858 . . . . 0.0 109.385 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.436 ' O ' ' HB ' ' B' ' 47' ' ' ILE . 48.5 mt-10 -97.85 -24.49 15.41 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.339 -0.851 . . . . 0.0 109.379 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.436 ' HB ' ' O ' ' B' ' 46' ' ' GLU . 23.1 mt 60.97 111.61 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.328 -0.857 . . . . 0.0 109.708 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.403 ' HB2' ' HA ' ' B' ' 85' ' ' HIS . 0.1 OUTLIER -91.26 -43.89 9.54 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.261 -0.899 . . . . 0.0 109.398 179.876 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.869 ' OE1' HG23 ' B' ' 52' ' ' VAL . 7.5 mm-40 -85.2 64.58 8.76 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.258 -0.901 . . . . 0.0 109.078 179.594 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . 0.554 ' O ' ' CB ' ' B' ' 54' ' ' ASP . 0.9 OUTLIER -47.0 -24.85 0.68 Allowed 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.266 -0.896 . . . . 0.0 110.022 -179.503 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -80.51 -41.18 24.7 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.988 -1.07 . . . . 0.0 110.466 -179.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.869 HG23 ' OE1' ' B' ' 49' ' ' GLU . 97.1 t -69.2 -46.39 77.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 120.984 -1.072 . . . . 0.0 109.907 -179.473 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.462 HG23 ' CB ' ' B' ' 83' ' ' ALA . 58.8 t -75.12 -29.89 22.47 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.259 -0.9 . . . . 0.0 109.773 -179.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . 0.554 ' CB ' ' O ' ' B' ' 50' ' ' GLN . 33.8 t70 -80.47 -20.46 43.67 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.025 -1.047 . . . . 0.0 109.014 179.656 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.415 ' C ' ' CD ' ' B' ' 55' ' ' LYS . 0.5 OUTLIER -77.26 -43.13 34.47 Favored 'General case' 0 C--N 1.306 -1.312 0 O-C-N 121.113 -0.992 . . . . 0.0 109.079 179.871 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.963 HG21 ' CG1' ' B' ' 80' ' ' VAL . 7.7 m -78.12 -37.11 22.21 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.353 0 O-C-N 121.116 -0.99 . . . . 0.0 108.954 179.373 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 36.4 tpp -71.42 -23.9 61.94 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . 0.482 ' HB2' ' O ' ' B' ' 54' ' ' ASP . 3.9 mt-10 -75.28 -51.62 12.81 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.308 -0.87 . . . . 0.0 109.326 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 1.4 m -64.77 -33.13 75.25 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 179.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.774 HD22 ' HB2' ' B' ' 33' ' ' LYS . 9.6 mt -61.65 -52.89 62.48 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 179.414 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.44 -6.88 58.78 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.433 -0.792 . . . . 0.0 109.597 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.474 ' HB2' ' O ' ' B' ' 58' ' ' GLU . 3.8 tt0 -67.01 -40.9 87.4 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.224 -0.923 . . . . 0.0 109.664 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.529 ' CB ' ' HE2' ' B' ' 29' ' ' LYS . 0.1 OUTLIER -125.12 -55.8 1.56 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.238 -0.914 . . . . 0.0 109.829 -179.745 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . 0.534 ' CA ' ' HG3' ' B' ' 29' ' ' LYS . . . 89.76 -52.34 3.62 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.427 -1.469 . . . . 0.0 109.427 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -105.21 89.36 3.1 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.294 -1.121 . . . . 0.0 109.321 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.538 ' N ' ' HD3' ' B' ' 29' ' ' LYS . . . -147.26 175.67 26.51 Favored Glycine 0 N--CA 1.488 2.106 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -110.5 125.08 52.94 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.301 -1.117 . . . . 0.0 109.666 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 3.1 m -107.02 173.83 6.15 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.33 -0.856 . . . . 0.0 109.031 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -115.1 -176.33 2.88 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.312 -0.867 . . . . 0.0 109.254 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.47 ' CE1' ' SD ' ' B' ' 74' ' ' MET . 10.3 t80 -74.34 -49.01 24.61 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.085 -1.009 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.68 ' HA ' HG21 ' A' ' 82' ' ' THR . 0.0 OUTLIER -61.86 -23.01 66.01 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.166 -0.959 . . . . 0.0 109.346 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.459 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 0.5 OUTLIER -79.44 -54.23 6.13 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.202 -0.936 . . . . 0.0 109.095 179.757 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.755 ' O ' HG23 ' B' ' 77' ' ' VAL . 0.1 OUTLIER -60.27 -21.5 62.0 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.168 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.945 ' HE3' HD22 ' B' ' 10' ' ' LEU . 0.7 OUTLIER -77.93 -60.16 2.48 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.412 -0.805 . . . . 0.0 109.4 179.862 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.518 ' O ' ' HG2' ' B' ' 79' ' ' MET . . . -62.39 -17.04 58.13 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.432 -0.793 . . . . 0.0 109.529 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.729 ' O ' HG22 ' B' ' 80' ' ' VAL . 0.3 OUTLIER -81.51 -43.41 18.82 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.433 -0.792 . . . . 0.0 109.806 179.875 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.763 HG12 ' SD ' ' A' ' 7' ' ' MET . 53.8 t -72.15 -25.11 23.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.301 -0.874 . . . . 0.0 110.235 -179.208 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . 0.436 ' O ' ' OG1' ' B' ' 82' ' ' THR . 57.7 p -76.31 -52.74 9.34 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.126 -0.984 . . . . 0.0 110.737 -178.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . 0.709 ' HB2' HG13 ' B' ' 52' ' ' VAL . 13.8 ptp -58.15 -42.39 85.83 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.868 -1.145 . . . . 0.0 110.269 -179.071 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.963 ' CG1' HG21 ' B' ' 56' ' ' VAL . 8.6 m -65.26 -41.45 91.53 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 O-C-N 120.97 -1.081 . . . . 0.0 109.964 -179.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.904 HG21 ' HG3' ' A' ' 7' ' ' MET . 5.2 m -70.42 -13.19 62.03 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.078 -1.014 . . . . 0.0 109.384 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.842 HG23 ' HG2' ' A' ' 74' ' ' MET . 0.1 OUTLIER -100.34 1.2 41.31 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.184 -0.948 . . . . 0.0 109.627 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.462 ' CB ' HG23 ' B' ' 53' ' ' VAL . . . -101.33 25.49 8.23 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.193 -0.942 . . . . 0.0 109.194 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . 0.451 ' O ' ' C ' ' B' ' 85' ' ' HIS . 21.6 p -60.28 134.42 57.04 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.306 -0.871 . . . . 0.0 109.405 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . 0.488 ' CD2' ' H ' ' B' ' 85' ' ' HIS . 0.0 OUTLIER -39.72 -88.91 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.633 -0.667 . . . . 0.0 109.919 -179.608 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -67.12 -177.96 0.73 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.161 -0.962 . . . . 0.0 109.918 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -113.79 105.74 13.64 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.459 -0.776 . . . . 0.0 109.086 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.419 ' CE2' HG23 ' A' ' 11' ' ' ILE . 18.4 m-85 53.8 69.16 0.74 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.048 -1.032 . . . . 0.0 109.058 -179.544 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.456 ' O ' ' HB3' ' B' ' 90' ' ' HIS . 0.4 OUTLIER -152.64 -58.09 0.14 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.259 -0.9 . . . . 0.0 109.901 -179.644 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . 0.584 ' O ' ' CG ' ' B' ' 90' ' ' HIS . 20.7 t-80 61.9 13.82 5.85 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.282 -0.886 . . . . 0.0 109.581 -179.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 . . . . . 0 N--CA 1.49 1.575 0 CA-C-O 117.964 -1.017 . . . . 0.0 109.48 179.945 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.474 ' O ' ' CG ' ' A' ' 5' ' ' LYS . 0.9 OUTLIER -123.66 173.26 8.21 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.286 -0.884 . . . . 0.0 109.649 -179.923 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.839 ' HB3' HG22 ' B' ' 13' ' ' VAL . 0.8 OUTLIER -80.34 -45.33 17.97 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.327 -0.858 . . . . 0.0 109.644 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.633 HD13 HG11 ' B' ' 13' ' ' VAL . 9.0 tp -79.78 -43.85 21.75 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.241 -0.912 . . . . 0.0 109.949 -179.617 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.551 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 7.9 tt0 -61.75 -44.6 96.59 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.011 -1.055 . . . . 0.0 110.034 -179.277 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.474 ' CG ' ' O ' ' A' ' 1' ' ' SER . 1.7 pttt -70.82 -35.93 72.7 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.645 -1.284 . . . . 0.0 110.118 -179.441 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.502 ' HB2' ' HB1' ' B' ' 9' ' ' ALA . . . -80.56 -70.11 0.55 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.1 -1.0 . . . . 0.0 110.248 -179.394 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.733 ' HE2' HG12 ' B' ' 77' ' ' VAL . 4.3 tpt -45.79 -51.45 12.74 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.467 -0.771 . . . . 0.0 110.194 -179.3 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.551 ' CG2' ' O ' ' A' ' 4' ' ' GLU . 23.1 t -61.36 -34.81 62.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.297 -0.877 . . . . 0.0 109.443 -179.324 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.484 ' HB1' ' HB2' ' B' ' 6' ' ' ALA . . . -55.71 -38.65 70.01 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.099 -1.0 . . . . 0.0 108.805 179.313 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.691 HD22 ' SD ' ' A' ' 74' ' ' MET . 0.5 OUTLIER -58.62 -52.39 65.88 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.28 -0.887 . . . . 0.0 108.724 179.432 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.953 HG23 ' CZ ' ' B' ' 88' ' ' PHE . 1.1 mp -48.98 -37.0 8.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.254 -0.904 . . . . 0.0 108.608 179.262 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -55.49 -50.85 68.83 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.287 -0.883 . . . . 0.0 109.512 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.81 HG22 ' HB3' ' B' ' 2' ' ' GLU . 46.4 t -49.51 -36.7 10.47 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.412 -0.805 . . . . 0.0 109.964 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.555 ' HB3' ' CE2' ' B' ' 88' ' ' PHE . 2.2 t80 -58.13 -44.43 87.79 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.213 -0.929 . . . . 0.0 109.657 -179.578 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -80.67 -7.51 59.34 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.144 -0.973 . . . . 0.0 109.564 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.477 ' HB2' ' HA ' ' A' ' 13' ' ' VAL . 0.6 OUTLIER -83.46 -26.45 30.28 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.236 -0.915 . . . . 0.0 109.456 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.459 ' CD1' HD21 ' A' ' 35' ' ' LEU . 43.3 m-85 -106.66 -53.11 2.67 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.293 -0.879 . . . . 0.0 109.462 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.435 ' O ' ' O ' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -48.3 -56.61 7.62 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.22 -0.925 . . . . 0.0 109.463 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 18' ' ' SER . . . -45.16 -57.78 5.39 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.346 -1.501 . . . . 0.0 109.346 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -50.9 -91.34 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.301 -1.117 . . . . 0.0 109.459 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.435 ' O ' ' O ' ' A' ' 18' ' ' SER . 0.6 OUTLIER -107.96 -162.21 0.82 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.277 -0.889 . . . . 0.0 109.409 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 73.12 -149.62 42.85 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.607 -1.397 . . . . 0.0 109.607 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.431 ' HB2' ' HB2' ' A' ' 26' ' ' LYS . 0.5 OUTLIER -91.46 -172.85 3.39 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.359 -1.083 . . . . 0.0 109.444 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.517 ' O ' ' ND1' ' A' ' 25' ' ' HIS . 1.2 mmtt -76.88 -35.22 57.59 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.166 -0.959 . . . . 0.0 109.303 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.583 ' O ' ' CE1' ' A' ' 70' ' ' PHE . 23.6 m-70 -147.08 35.41 0.91 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.302 -0.874 . . . . 0.0 109.433 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.453 ' HG2' ' C ' ' A' ' 25' ' ' HIS . 6.7 mttm -137.22 145.57 43.79 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.237 -0.915 . . . . 0.0 109.122 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.52 ' O ' ' CB ' ' A' ' 68' ' ' CYS . 0.1 OUTLIER -115.93 137.1 52.42 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.14 -0.975 . . . . 0.0 108.932 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.515 ' HG3' ' HA ' ' A' ' 67' ' ' GLU . 0.1 OUTLIER -88.58 174.22 8.19 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.002 -1.062 . . . . 0.0 110.014 -179.34 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.662 ' HB2' HD23 ' A' ' 60' ' ' LEU . 6.4 ptpt -76.31 -15.81 59.9 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.349 -0.844 . . . . 0.0 109.733 -179.602 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.53 -44.09 19.67 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.032 -1.042 . . . . 0.0 108.583 179.189 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.478 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 4.6 tt0 -80.46 -17.25 52.24 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 178.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.634 HD21 ' CD2' ' A' ' 76' ' ' PHE . 19.1 tp -80.21 -41.87 24.36 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 178.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.763 ' HB2' HD22 ' A' ' 60' ' ' LEU . 10.6 tttt -59.32 -43.7 92.65 Favored 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 178.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.544 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 13.5 pt-20 -71.94 -36.81 70.03 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 179.45 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.67 HD11 HG11 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -50.9 -42.45 59.23 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 121.738 -0.601 . . . . 0.0 109.503 179.866 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.738 HG21 HG21 ' A' ' 80' ' ' VAL . 0.3 OUTLIER -81.62 -57.21 4.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.202 -0.937 . . . . 0.0 110.336 -179.431 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -68.46 -0.72 5.32 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.278 -0.889 . . . . 0.0 111.174 -178.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.544 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 1.4 t30 -110.99 -77.08 0.59 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.76 -1.212 . . . . 0.0 109.533 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.611 ' HG3' HD13 ' A' ' 35' ' ' LEU . 0.9 OUTLIER -49.82 -49.4 49.07 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.175 -0.953 . . . . 0.0 108.901 179.839 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.529 ' O ' ' CB ' ' A' ' 41' ' ' SER . 13.3 mt -88.72 -103.6 0.09 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.128 -0.983 . . . . 0.0 108.743 179.417 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.529 ' CB ' ' O ' ' A' ' 40' ' ' LEU . 0.4 OUTLIER 81.23 -42.0 0.16 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.249 -0.907 . . . . 0.0 110.666 179.254 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -67.42 -14.81 63.26 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.957 -1.089 . . . . 0.0 109.91 -179.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -108.22 45.73 1.0 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.11 -0.994 . . . . 0.0 109.972 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 1.001 ' O ' HD13 ' A' ' 44' ' ' LEU . 2.8 tm? -127.35 -6.29 5.91 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.172 -0.955 . . . . 0.0 109.524 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.45 ' HG2' ' OE1' ' A' ' 46' ' ' GLU . 25.4 pt-20 -104.08 17.54 23.89 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.975 -1.078 . . . . 0.0 109.764 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.589 ' C ' HD12 ' A' ' 47' ' ' ILE . 2.5 pm0 -150.12 83.47 1.38 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.122 -0.986 . . . . 0.0 109.39 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.589 HD12 ' C ' ' A' ' 46' ' ' GLU . 1.6 mp -151.48 138.57 13.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.372 -0.83 . . . . 0.0 109.387 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.527 ' N ' ' HB2' ' A' ' 85' ' ' HIS . 3.1 ttpt -99.28 -21.12 16.21 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.213 -0.929 . . . . 0.0 108.803 179.658 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.543 ' HB3' ' CG2' ' A' ' 52' ' ' VAL . 4.0 mm-40 -84.43 69.05 10.48 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.298 -0.876 . . . . 0.0 109.06 179.667 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.562 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 39.7 tt0 -53.38 -22.24 7.21 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.233 -0.917 . . . . 0.0 109.211 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.503 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 2.4 mt-10 -80.11 -34.91 37.53 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.09 -1.006 . . . . 0.0 110.045 -179.721 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.543 ' CG2' ' HB3' ' A' ' 49' ' ' GLU . 61.1 t -69.22 -48.03 70.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 120.979 -1.076 . . . . 0.0 109.702 -179.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.611 HG22 HG12 ' A' ' 80' ' ' VAL . 44.5 t -76.87 -34.08 22.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.126 -0.984 . . . . 0.0 109.513 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.562 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 15.4 t70 -80.18 -14.5 58.41 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.242 -0.911 . . . . 0.0 109.145 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.527 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 1.4 tmtm? -80.28 -38.24 31.22 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 120.971 -1.081 . . . . 0.0 108.564 179.507 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.668 HG21 HG13 ' A' ' 80' ' ' VAL . 2.5 m -81.45 -32.19 11.76 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 178.246 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.25 -23.69 47.22 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.625 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.539 ' HG3' ' N ' ' A' ' 59' ' ' THR . 23.1 pt-20 -80.37 -44.06 20.05 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.185 -0.947 . . . . 0.0 108.872 179.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.539 ' N ' ' HG3' ' A' ' 58' ' ' GLU . 0.2 OUTLIER -71.67 -28.57 63.83 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 178.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.763 HD22 ' HB2' ' A' ' 33' ' ' LYS . 11.4 mt -69.71 -54.15 15.18 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.585 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -80.55 -8.73 59.69 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.62 -0.675 . . . . 0.0 109.929 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.5 ' HB2' ' O ' ' A' ' 58' ' ' GLU . 4.2 tt0 -71.43 -66.05 0.67 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.121 -0.987 . . . . 0.0 109.522 -179.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -84.07 -58.34 2.81 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.331 -0.856 . . . . 0.0 109.779 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.412 ' H ' ' HD3' ' A' ' 29' ' ' LYS . . . 84.82 -16.22 38.07 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.726 -1.35 . . . . 0.0 109.726 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -133.12 74.8 1.58 Allowed 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.233 -1.157 . . . . 0.0 109.56 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.489 ' O ' ' HG2' ' A' ' 28' ' ' LYS . . . -139.84 161.25 26.28 Favored Glycine 0 N--CA 1.488 2.151 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.515 ' HA ' ' HG3' ' A' ' 28' ' ' LYS . 3.0 mp0 -97.84 148.61 23.23 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.228 -1.16 . . . . 0.0 109.935 -179.617 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.52 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 2.8 m -128.11 174.66 9.04 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.432 -0.792 . . . . 0.0 108.943 179.537 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -120.99 -151.99 0.5 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.136 -0.977 . . . . 0.0 110.118 -179.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.583 ' CE1' ' O ' ' A' ' 25' ' ' HIS . 69.8 m-85 -92.41 -50.56 5.57 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.425 -0.797 . . . . 0.0 110.051 -179.346 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.456 ' HG2' ' OG1' ' B' ' 82' ' ' THR . 14.0 mt-30 -67.83 -16.11 63.94 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.184 -0.947 . . . . 0.0 108.974 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.453 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 0.6 OUTLIER -81.77 -58.98 2.76 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.289 -0.882 . . . . 0.0 108.756 179.137 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -21.58 65.7 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 179.188 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.822 ' HG3' HG21 ' B' ' 82' ' ' THR . 20.9 mmm -80.75 -55.02 5.11 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.52 -0.738 . . . . 0.0 109.608 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.452 ' O ' ' HG3' ' A' ' 79' ' ' MET . . . -68.33 -12.94 61.87 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.286 -0.884 . . . . 0.0 108.717 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.634 ' CD2' HD21 ' A' ' 32' ' ' LEU . 0.7 OUTLIER -79.95 -44.68 19.86 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 179.311 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.697 HG12 ' CE ' ' B' ' 7' ' ' MET . 55.8 t -63.22 -27.05 42.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.425 -0.797 . . . . 0.0 109.392 179.603 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.554 ' HA ' ' CE ' ' B' ' 7' ' ' MET . 0.0 OUTLIER -77.05 -49.42 15.39 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.241 -0.912 . . . . 0.0 110.411 -179.566 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.493 ' HB3' ' CG1' ' A' ' 52' ' ' VAL . 0.7 OUTLIER -50.14 -41.8 49.53 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.056 -1.027 . . . . 0.0 110.515 -179.285 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.738 HG21 HG21 ' A' ' 36' ' ' ILE . 2.5 m -80.38 -42.73 21.51 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.066 -1.021 . . . . 0.0 111.073 -178.72 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.439 ' OG1' ' HE2' ' B' ' 7' ' ' MET . 2.0 m -73.08 -6.0 42.72 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.813 -1.179 . . . . 0.0 109.844 -179.393 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.804 HG21 ' HG3' ' B' ' 74' ' ' MET . 75.2 p -138.38 18.57 2.75 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.131 -0.981 . . . . 0.0 109.221 179.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.542 ' O ' ' CB ' ' A' ' 84' ' ' CYS . . . -49.71 -53.03 27.15 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.319 -0.863 . . . . 0.0 109.22 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.542 ' CB ' ' O ' ' A' ' 83' ' ' ALA . 0.7 OUTLIER 161.51 -173.14 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.194 -0.941 . . . . 0.0 110.32 179.608 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.527 ' HB2' ' N ' ' A' ' 48' ' ' LYS . 1.5 t-160 76.71 -158.39 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.56 -0.713 . . . . 0.0 109.667 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -84.11 85.36 7.36 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.296 -0.877 . . . . 0.0 108.894 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.468 ' CE2' ' CD1' ' A' ' 88' ' ' PHE . 22.6 p90 -112.88 19.31 17.44 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.255 -0.903 . . . . 0.0 109.331 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.983 ' CZ ' HG23 ' B' ' 11' ' ' ILE . 0.3 OUTLIER -130.34 -5.42 4.29 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.531 -0.731 . . . . 0.0 109.652 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 88' ' ' PHE . 37.2 tt0 41.98 53.24 4.22 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.284 -0.885 . . . . 0.0 109.72 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 31.6 p80 -76.11 -29.03 57.71 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.217 -0.927 . . . . 0.0 109.522 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 117.949 -1.024 . . . . 0.0 109.506 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . 0.473 ' O ' ' CG ' ' B' ' 5' ' ' LYS . 0.9 OUTLIER -123.53 173.26 8.15 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.347 -0.845 . . . . 0.0 109.705 -179.88 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.81 ' HB3' HG22 ' A' ' 13' ' ' VAL . 0.8 OUTLIER -80.35 -45.24 18.11 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.353 -0.842 . . . . 0.0 109.638 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.613 HD13 HG11 ' A' ' 13' ' ' VAL . 9.0 tp -79.84 -43.85 21.61 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.146 -0.971 . . . . 0.0 109.988 -179.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.55 ' O ' ' CG2' ' B' ' 8' ' ' VAL . 7.9 tt0 -61.82 -44.46 96.8 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.002 -1.061 . . . . 0.0 110.126 -179.313 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.473 ' CG ' ' O ' ' B' ' 1' ' ' SER . 1.7 pttt -70.83 -35.99 72.71 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.711 -1.243 . . . . 0.0 110.091 -179.519 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.484 ' HB2' ' HB1' ' A' ' 9' ' ' ALA . . . -80.55 -69.97 0.56 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.123 -0.986 . . . . 0.0 110.274 -179.371 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . 0.697 ' CE ' HG12 ' A' ' 77' ' ' VAL . 4.3 tpt -45.84 -51.54 12.78 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.447 -0.783 . . . . 0.0 110.197 -179.329 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.55 ' CG2' ' O ' ' B' ' 4' ' ' GLU . 23.1 t -61.26 -34.89 62.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.212 -0.93 . . . . 0.0 109.407 -179.29 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.502 ' HB1' ' HB2' ' A' ' 6' ' ' ALA . . . -55.62 -38.66 69.78 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.074 -1.016 . . . . 0.0 108.843 179.3 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.688 HD22 ' SD ' ' B' ' 74' ' ' MET . 0.5 OUTLIER -58.73 -52.3 66.3 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.279 -0.888 . . . . 0.0 108.712 179.427 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.983 HG23 ' CZ ' ' A' ' 88' ' ' PHE . 1.1 mp -49.06 -36.94 9.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 179.292 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -55.45 -50.99 68.4 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.401 -0.812 . . . . 0.0 109.507 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.839 HG22 ' HB3' ' A' ' 2' ' ' GLU . 46.5 t -49.49 -36.62 10.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.39 -0.819 . . . . 0.0 109.942 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.501 ' HB3' ' CE2' ' A' ' 88' ' ' PHE . 2.2 t80 -58.1 -44.47 87.69 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.145 -0.972 . . . . 0.0 109.697 -179.65 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -80.7 -7.52 59.36 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.197 -0.939 . . . . 0.0 109.546 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.465 ' HB2' ' HA ' ' B' ' 13' ' ' VAL . 0.6 OUTLIER -83.35 -26.5 30.47 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.303 -0.873 . . . . 0.0 109.409 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.467 ' CD1' HD21 ' B' ' 35' ' ' LEU . 43.1 m-85 -106.67 -53.04 2.68 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.294 -0.879 . . . . 0.0 109.537 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.441 ' O ' ' O ' ' B' ' 21' ' ' GLU . 0.2 OUTLIER -48.31 -56.7 7.39 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.21 -0.931 . . . . 0.0 109.365 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' B' ' 18' ' ' SER . . . -45.05 -57.91 5.25 Favored Glycine 0 N--CA 1.489 2.171 0 N-CA-C 109.407 -1.477 . . . . 0.0 109.407 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 42.8 mtp180 -50.77 -91.45 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.244 -1.15 . . . . 0.0 109.455 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.441 ' O ' ' O ' ' B' ' 18' ' ' SER . 0.6 OUTLIER -107.91 -162.24 0.82 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.269 -0.895 . . . . 0.0 109.428 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 73.2 -149.51 42.56 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.44 ' HB2' ' HB2' ' B' ' 26' ' ' LYS . 0.5 OUTLIER -91.59 -172.76 3.34 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.316 -1.108 . . . . 0.0 109.503 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.518 ' O ' ' ND1' ' B' ' 25' ' ' HIS . 1.2 mmtt -76.84 -35.27 57.63 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.21 -0.931 . . . . 0.0 109.41 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . 0.575 ' O ' ' CE1' ' B' ' 70' ' ' PHE . 23.4 m-70 -147.03 35.36 0.91 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.284 -0.885 . . . . 0.0 109.409 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.442 ' HG2' ' C ' ' B' ' 25' ' ' HIS . 6.7 mttm -137.16 145.45 43.78 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.265 -0.897 . . . . 0.0 109.165 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.512 ' O ' ' CB ' ' B' ' 68' ' ' CYS . 0.1 OUTLIER -115.75 137.09 52.43 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.156 -0.965 . . . . 0.0 109.007 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.53 ' HG3' ' HA ' ' B' ' 67' ' ' GLU . 0.1 OUTLIER -88.61 174.29 8.14 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.959 -1.088 . . . . 0.0 109.946 -179.311 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.651 ' HB2' HD23 ' B' ' 60' ' ' LEU . 6.4 ptpt -76.35 -15.82 59.88 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.334 -0.854 . . . . 0.0 109.788 -179.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.46 -44.13 19.74 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.044 -1.035 . . . . 0.0 108.607 179.196 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.484 ' O ' ' HG2' ' B' ' 34' ' ' GLU . 4.5 tt0 -80.45 -17.29 52.14 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 178.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.63 HD21 ' CD2' ' B' ' 76' ' ' PHE . 19.2 tp -80.14 -41.85 24.63 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 178.636 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.765 ' HB2' HD22 ' B' ' 60' ' ' LEU . 10.6 tttt -59.34 -43.69 92.72 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 178.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.541 ' O ' ' CB ' ' B' ' 38' ' ' ASN . 13.6 pt-20 -71.96 -36.73 69.95 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 179.423 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.663 HD11 HG11 ' B' ' 13' ' ' VAL . 0.1 OUTLIER -50.9 -42.44 59.31 Favored 'General case' 0 C--N 1.297 -1.679 0 O-C-N 121.78 -0.575 . . . . 0.0 109.578 179.87 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.749 HG21 HG21 ' B' ' 80' ' ' VAL . 0.3 OUTLIER -81.54 -57.23 4.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.268 -0.895 . . . . 0.0 110.324 -179.473 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -68.52 -0.7 5.37 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.196 -0.94 . . . . 0.0 111.161 -178.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.541 ' CB ' ' O ' ' B' ' 34' ' ' GLU . 1.4 t30 -111.01 -77.01 0.59 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.797 -1.189 . . . . 0.0 109.591 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.609 ' HG3' HD13 ' B' ' 35' ' ' LEU . 0.9 OUTLIER -49.73 -49.47 47.84 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.162 -0.961 . . . . 0.0 109.015 179.698 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.543 ' O ' ' CB ' ' B' ' 41' ' ' SER . 13.4 mt -88.66 -103.56 0.08 Allowed 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.098 -1.001 . . . . 0.0 108.855 179.324 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.543 ' CB ' ' O ' ' B' ' 40' ' ' LEU . 0.4 OUTLIER 81.21 -42.0 0.16 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.227 -0.921 . . . . 0.0 110.653 179.169 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 80.9 m-70 -67.41 -14.7 63.16 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.882 -1.136 . . . . 0.0 109.934 -179.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -108.47 45.85 1.0 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.176 -0.952 . . . . 0.0 109.808 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 1.014 ' O ' HD13 ' B' ' 44' ' ' LEU . 2.8 tm? -127.46 -6.22 5.85 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.3 -0.875 . . . . 0.0 109.399 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.455 ' HG2' ' OE1' ' B' ' 46' ' ' GLU . 25.4 pt-20 -104.07 17.53 23.91 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.943 -1.098 . . . . 0.0 109.748 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.589 ' C ' HD12 ' B' ' 47' ' ' ILE . 2.4 pm0 -150.12 83.35 1.38 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.305 -0.872 . . . . 0.0 109.308 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.589 HD12 ' C ' ' B' ' 46' ' ' GLU . 1.6 mp -151.43 138.36 13.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.292 -0.88 . . . . 0.0 109.389 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.533 ' N ' ' HB2' ' B' ' 85' ' ' HIS . 3.1 ttpt -99.1 -21.12 16.33 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.226 -0.921 . . . . 0.0 108.893 179.581 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.544 ' HB3' ' CG2' ' B' ' 52' ' ' VAL . 4.0 mm-40 -84.45 69.03 10.48 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.285 -0.885 . . . . 0.0 109.074 179.684 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . 0.551 ' O ' ' CB ' ' B' ' 54' ' ' ASP . 39.4 tt0 -53.44 -22.1 7.2 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.262 -0.899 . . . . 0.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.499 ' O ' ' HB2' ' B' ' 55' ' ' LYS . 2.4 mt-10 -80.17 -34.9 37.18 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.161 -0.962 . . . . 0.0 110.02 -179.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.544 ' CG2' ' HB3' ' B' ' 49' ' ' GLU . 61.1 t -69.3 -47.86 71.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.019 -1.051 . . . . 0.0 109.66 -179.687 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.617 HG22 HG12 ' B' ' 80' ' ' VAL . 44.1 t -77.02 -34.03 21.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.136 -0.978 . . . . 0.0 109.415 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . 0.551 ' CB ' ' O ' ' B' ' 50' ' ' GLN . 15.4 t70 -80.1 -14.61 58.37 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.202 -0.936 . . . . 0.0 109.213 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.535 ' O ' ' HG2' ' B' ' 58' ' ' GLU . 1.4 tmtm? -80.19 -38.24 31.62 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.959 -1.088 . . . . 0.0 108.568 179.503 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.653 HG21 HG13 ' B' ' 80' ' ' VAL . 2.5 m -81.49 -32.23 11.71 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 178.343 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.19 -23.77 47.44 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . 0.538 ' HG3' ' N ' ' B' ' 59' ' ' THR . 23.0 pt-20 -80.28 -44.06 20.26 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.151 -0.968 . . . . 0.0 108.979 179.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . 0.538 ' N ' ' HG3' ' B' ' 58' ' ' GLU . 0.2 OUTLIER -71.63 -28.62 63.9 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 178.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.765 HD22 ' HB2' ' B' ' 33' ' ' LYS . 11.4 mt -69.62 -54.15 15.36 Favored 'General case' 0 C--N 1.303 -1.419 0 CA-C-O 121.536 0.684 . . . . 0.0 109.33 179.598 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -80.52 -8.75 59.69 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.561 -0.712 . . . . 0.0 109.843 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.504 ' HB2' ' O ' ' B' ' 58' ' ' GLU . 4.2 tt0 -71.46 -66.05 0.67 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.131 -0.981 . . . . 0.0 109.611 -179.627 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -84.0 -58.34 2.82 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.264 -0.898 . . . . 0.0 109.664 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . 0.415 ' H ' ' HD3' ' B' ' 29' ' ' LYS . . . 84.78 -16.23 37.79 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 -179.784 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -133.07 74.81 1.59 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.197 -1.178 . . . . 0.0 109.579 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.493 ' O ' ' HG2' ' B' ' 28' ' ' LYS . . . -139.97 161.21 26.33 Favored Glycine 0 N--CA 1.489 2.192 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.53 ' HA ' ' HG3' ' B' ' 28' ' ' LYS . 2.9 mp0 -97.7 148.64 23.13 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.261 -1.141 . . . . 0.0 110.04 -179.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.512 ' CB ' ' O ' ' B' ' 27' ' ' LEU . 2.8 m -128.12 174.65 9.06 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.39 -0.819 . . . . 0.0 108.865 179.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -121.0 -151.98 0.5 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.153 -0.967 . . . . 0.0 110.103 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.575 ' CE1' ' O ' ' B' ' 25' ' ' HIS . 69.9 m-85 -92.38 -50.56 5.58 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.328 -0.858 . . . . 0.0 110.047 -179.348 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.443 ' HG2' ' OG1' ' A' ' 82' ' ' THR . 13.9 mt-30 -67.83 -16.14 63.96 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.105 -0.997 . . . . 0.0 108.854 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.451 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 0.6 OUTLIER -81.81 -58.97 2.76 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 179.201 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -62.54 -21.65 65.71 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 179.237 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.804 ' HG3' HG21 ' A' ' 82' ' ' THR . 20.9 mmm -80.71 -55.06 5.09 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.472 -0.767 . . . . 0.0 109.601 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.456 ' O ' ' HG3' ' B' ' 79' ' ' MET . . . -68.23 -12.93 61.8 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.63 ' CD2' HD21 ' B' ' 32' ' ' LEU . 0.7 OUTLIER -79.96 -44.65 19.89 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.426 -0.796 . . . . 0.0 108.958 179.287 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.733 HG12 ' HE2' ' A' ' 7' ' ' MET . 55.7 t -63.23 -27.07 42.38 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.287 -0.883 . . . . 0.0 109.453 179.533 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . 0.543 ' HA ' ' CE ' ' A' ' 7' ' ' MET . 0.0 OUTLIER -76.96 -49.59 15.16 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.216 -0.928 . . . . 0.0 110.285 -179.549 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . 0.493 ' HB3' ' CG1' ' B' ' 52' ' ' VAL . 0.7 OUTLIER -50.19 -41.68 49.92 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.139 -0.975 . . . . 0.0 110.543 -179.155 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.749 HG21 HG21 ' B' ' 36' ' ' ILE . 2.5 m -80.37 -42.76 21.55 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 120.984 -1.073 . . . . 0.0 111.117 -178.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 1.9 m -73.12 -6.09 43.38 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.755 -1.215 . . . . 0.0 109.909 -179.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.822 HG21 ' HG3' ' A' ' 74' ' ' MET . 75.0 p -138.24 18.57 2.77 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.226 -0.921 . . . . 0.0 109.278 179.56 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.549 ' O ' ' CB ' ' B' ' 84' ' ' CYS . . . -49.68 -52.95 27.39 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.274 -0.891 . . . . 0.0 109.193 179.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . 0.549 ' CB ' ' O ' ' B' ' 83' ' ' ALA . 0.7 OUTLIER 161.46 -173.16 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.227 -0.921 . . . . 0.0 110.346 179.646 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . 0.533 ' HB2' ' N ' ' B' ' 48' ' ' LYS . 1.5 t-160 76.62 -158.22 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.508 -0.745 . . . . 0.0 109.774 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -84.28 85.44 7.37 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.412 -0.805 . . . . 0.0 108.86 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . 0.465 ' CE2' ' CD1' ' B' ' 88' ' ' PHE . 22.4 p90 -112.88 19.22 17.52 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.228 -0.92 . . . . 0.0 109.358 -179.73 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.953 ' CZ ' HG23 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -130.34 -5.46 4.29 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.393 -0.817 . . . . 0.0 109.712 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' B' ' 88' ' ' PHE . 37.0 tt0 42.0 53.2 4.26 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.2 -0.938 . . . . 0.0 109.783 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 31.6 p80 -76.05 -29.01 57.88 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.245 -0.909 . . . . 0.0 109.545 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 117.933 -1.032 . . . . 0.0 109.414 -179.874 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . 0.493 ' N ' ' OE1' ' A' ' 4' ' ' GLU . 2.2 ptt? . . . . . 0 N--CA 1.488 1.471 0 CA-C-O 121.258 0.552 . . . . 0.0 109.571 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.493 ' OG ' ' HB3' ' A' ' 4' ' ' GLU . 21.2 p -94.74 -172.27 2.69 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.268 -0.895 . . . . 0.0 109.551 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.838 ' HB2' HG22 ' B' ' 13' ' ' VAL . 30.0 mm-40 -80.09 -42.48 23.53 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.206 -0.934 . . . . 0.0 109.659 -179.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.67 HD11 HD21 ' B' ' 10' ' ' LEU . 5.8 tp -80.0 -48.05 13.97 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.193 -0.942 . . . . 0.0 110.15 -179.566 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.548 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 8.0 tt0 -63.39 -38.69 92.14 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.053 -1.029 . . . . 0.0 110.137 -179.187 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.492 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 25.1 tptt -80.34 -38.27 30.89 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.855 -1.153 . . . . 0.0 109.837 -179.647 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.674 ' CB ' ' HB3' ' B' ' 9' ' ' ALA . . . -80.26 -65.86 0.95 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.206 -0.934 . . . . 0.0 109.861 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.743 ' HE2' HG12 ' B' ' 77' ' ' VAL . 9.9 tpt -46.59 -52.81 12.74 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.468 -0.77 . . . . 0.0 110.033 -179.695 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.548 ' CG2' ' O ' ' A' ' 4' ' ' GLU . 22.3 t -62.74 -32.63 56.34 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.537 0 O-C-N 121.311 -0.868 . . . . 0.0 109.552 -179.53 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.672 ' HB3' ' CB ' ' B' ' 6' ' ' ALA . . . -58.76 -43.9 90.43 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.185 -0.947 . . . . 0.0 108.45 179.209 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.665 HD21 HD11 ' B' ' 3' ' ' LEU . 0.3 OUTLIER -50.64 -45.79 57.94 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 179.043 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.481 HG23 ' CE1' ' B' ' 88' ' ' PHE . 0.1 OUTLIER -52.51 -42.69 40.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 178.938 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -52.71 -50.17 63.9 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.413 -0.804 . . . . 0.0 109.259 179.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.819 HG22 ' HB2' ' B' ' 2' ' ' GLU . 94.4 t -47.93 -35.26 4.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.374 -0.828 . . . . 0.0 109.59 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.575 ' HB3' ' CZ ' ' B' ' 88' ' ' PHE . 1.1 t80 -59.99 -44.71 94.34 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.063 -1.023 . . . . 0.0 109.723 -179.787 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 20.1 t-80 -65.32 -14.89 61.83 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.185 -0.947 . . . . 0.0 109.811 -179.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.0 tp60 -89.84 -61.82 1.61 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.1 -1.0 . . . . 0.0 109.959 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.464 ' O ' ' HB2' ' A' ' 20' ' ' ARG . 44.9 m-85 -69.06 -57.62 5.18 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.25 -0.906 . . . . 0.0 110.22 -179.399 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.466 ' O ' ' O ' ' A' ' 23' ' ' ASP . 4.9 t -65.25 -36.07 83.0 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.029 -1.044 . . . . 0.0 109.869 -179.567 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.27 -5.52 49.25 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.982 -1.247 . . . . 0.0 109.982 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.464 ' HB2' ' O ' ' A' ' 17' ' ' TYR . 9.6 mtt-85 -48.88 -39.34 25.5 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.126 -1.22 . . . . 0.0 109.72 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -136.45 -160.38 1.05 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.247 -0.908 . . . . 0.0 109.955 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.513 ' O ' ' N ' ' A' ' 24' ' ' LYS . . . -54.95 -34.4 57.73 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.714 -1.354 . . . . 0.0 109.714 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.466 ' O ' ' O ' ' A' ' 18' ' ' SER . 28.5 m-20 -47.07 93.74 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.297 -1.119 . . . . 0.0 109.4 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.513 ' N ' ' O ' ' A' ' 22' ' ' GLY . 23.5 mttm -106.54 12.65 29.25 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.262 -0.899 . . . . 0.0 109.487 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.578 ' HE2' ' HE1' ' B' ' 87' ' ' PHE . 0.1 OUTLIER -160.2 23.87 0.16 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.345 -0.847 . . . . 0.0 109.551 179.929 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.401 ' O ' ' OG ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -149.24 162.03 40.84 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.273 -0.892 . . . . 0.0 109.332 -179.909 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.481 ' O ' ' HB2' ' A' ' 67' ' ' GLU . 0.6 OUTLIER -136.18 -154.57 0.57 Allowed 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.379 -0.826 . . . . 0.0 108.794 179.467 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.524 ' HA ' ' HA ' ' A' ' 67' ' ' GLU . 0.7 OUTLIER -149.43 148.79 29.87 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.227 -0.921 . . . . 0.0 108.94 179.649 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.752 ' O ' HD22 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -58.66 -27.32 64.67 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.092 -1.005 . . . . 0.0 109.582 -179.778 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.553 ' N ' ' HG2' ' A' ' 29' ' ' LYS . 41.2 t -77.32 -38.58 50.17 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.16 -0.962 . . . . 0.0 109.953 -179.497 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.504 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 9.9 tt0 -78.64 -17.94 55.24 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 120.967 -1.083 . . . . 0.0 108.754 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.694 HD13 ' HB2' ' A' ' 73' ' ' PHE . 50.9 tp -81.1 -46.72 14.53 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 178.664 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.45 ' CG ' HD13 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -54.85 -43.0 72.67 Favored 'General case' 0 N--CA 1.486 1.374 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 178.845 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.558 ' HG3' ' N ' ' A' ' 35' ' ' LEU . 8.5 pt-20 -71.1 -41.63 70.35 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 179.187 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.558 ' N ' ' HG3' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -46.41 -42.59 15.38 Favored 'General case' 0 C--N 1.299 -1.587 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 179.348 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.965 ' CG2' HG21 ' A' ' 80' ' ' VAL . 0.6 OUTLIER -79.8 -61.3 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.316 -0.865 . . . . 0.0 109.76 -179.756 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.46 ' O ' ' CB ' ' A' ' 41' ' ' SER . 34.1 t-20 -67.33 -64.02 0.94 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.321 -0.862 . . . . 0.0 109.994 -179.327 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.488 ' HB3' ' O ' ' A' ' 34' ' ' GLU . 10.8 t30 -41.58 -51.38 3.96 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.352 -0.842 . . . . 0.0 110.592 -179.379 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.521 ' HB3' ' HB3' ' B' ' 3' ' ' LEU . 4.0 mm-40 -81.25 -83.41 0.11 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.998 -1.064 . . . . 0.0 110.813 -178.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.615 ' HG ' HD23 ' B' ' 3' ' ' LEU . 20.8 mt -46.77 -87.74 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.408 0 O-C-N 120.96 -1.087 . . . . 0.0 110.096 -179.045 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.46 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 0.4 OUTLIER 44.28 58.6 3.67 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.135 -0.978 . . . . 0.0 109.653 -179.778 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 -140.97 -66.78 0.42 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.111 -0.993 . . . . 0.0 109.624 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -62.92 -12.74 27.36 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.162 -0.961 . . . . 0.0 109.399 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.705 HD13 HD12 ' A' ' 47' ' ' ILE . 0.5 OUTLIER -62.83 88.25 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.282 -0.886 . . . . 0.0 109.7 -179.785 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -134.15 -58.18 0.85 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.352 -0.842 . . . . 0.0 109.058 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.469 ' O ' ' O ' ' A' ' 47' ' ' ILE . 44.8 mt-10 -115.91 -36.96 4.0 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.483 -0.761 . . . . 0.0 108.969 179.646 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.705 HD12 HD13 ' A' ' 44' ' ' LEU . 0.0 OUTLIER 59.33 121.43 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.414 -0.804 . . . . 0.0 109.527 179.653 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.445 ' HD2' ' O ' ' A' ' 48' ' ' LYS . 2.8 tmmm? -103.48 -21.39 13.79 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.165 -0.959 . . . . 0.0 109.372 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.538 ' OE1' HG23 ' A' ' 52' ' ' VAL . 8.0 mm-40 -104.62 65.29 0.76 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.273 -0.892 . . . . 0.0 109.222 179.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.532 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -52.26 -22.04 4.04 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.333 -0.854 . . . . 0.0 109.509 -179.9 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.463 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -79.82 -37.34 35.31 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.245 -0.909 . . . . 0.0 109.651 -179.836 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.66 HG13 ' HB3' ' A' ' 79' ' ' MET . 88.1 t -67.87 -47.57 78.82 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 121.221 -0.924 . . . . 0.0 109.463 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.589 HG21 HD11 ' A' ' 47' ' ' ILE . 94.6 t -74.2 -35.03 39.42 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.177 -0.952 . . . . 0.0 109.144 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.532 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 34.5 t70 -75.1 -17.32 60.47 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.279 -0.888 . . . . 0.0 108.932 179.425 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.463 ' HB2' ' O ' ' A' ' 51' ' ' GLU . 4.1 mtpt -79.49 -48.74 13.39 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.212 -0.93 . . . . 0.0 109.482 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.78 HG12 ' CE2' ' A' ' 76' ' ' PHE . 3.0 m -72.94 -36.04 50.48 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 O-C-N 121.172 -0.955 . . . . 0.0 109.153 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 48.4 tpp -72.33 -26.3 61.88 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.466 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 3.5 mt-10 -74.8 -49.87 19.22 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.199 -0.938 . . . . 0.0 108.783 179.416 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.9 m -65.08 -25.93 68.01 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 179.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.752 HD22 ' O ' ' A' ' 29' ' ' LYS . 10.6 mt -68.06 -53.67 23.89 Favored 'General case' 0 C--N 1.303 -1.418 0 CA-C-O 121.551 0.691 . . . . 0.0 109.283 179.427 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.89 -7.43 58.73 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.532 -0.73 . . . . 0.0 109.8 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' A' ' 58' ' ' GLU . 30.9 tt0 -80.69 -44.71 18.32 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.106 -0.996 . . . . 0.0 109.606 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.45 -73.18 0.39 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.351 -0.843 . . . . 0.0 109.508 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.466 ' HA2' ' HG3' ' A' ' 29' ' ' LYS . . . 63.32 11.16 38.81 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.741 -1.343 . . . . 0.0 109.741 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.592 ' N ' ' HD2' ' A' ' 29' ' ' LYS . 10.4 t0 -144.56 -29.52 0.47 Allowed 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.183 -1.186 . . . . 0.0 110.652 -179.385 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.483 ' O ' ' HD3' ' A' ' 29' ' ' LYS . . . -89.19 168.57 35.38 Favored Glycine 0 N--CA 1.488 2.113 0 C-N-CA 119.861 -1.161 . . . . 0.0 110.614 -178.634 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.524 ' HA ' ' HA ' ' A' ' 28' ' ' LYS . 9.4 pt-20 -101.15 168.59 9.48 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.641 -0.917 . . . . 0.0 109.987 -179.487 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 34.4 m -113.47 164.79 13.16 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.389 -0.819 . . . . 0.0 109.308 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -97.63 179.32 4.88 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.196 -0.94 . . . . 0.0 109.249 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.409 ' O ' ' HB2' ' A' ' 74' ' ' MET . 0.1 OUTLIER -80.72 -33.84 34.96 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.168 -0.957 . . . . 0.0 108.598 179.445 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.465 ' HG2' ' HB ' ' B' ' 82' ' ' THR . 11.5 mt-30 -79.78 -27.17 40.43 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 179.106 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.28 -53.96 8.67 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.329 -0.857 . . . . 0.0 108.892 179.405 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.694 ' HB2' HD13 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -63.07 -24.34 67.86 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 179.349 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.623 ' HE3' HD22 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -72.05 -50.13 30.97 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.591 -0.693 . . . . 0.0 109.533 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.521 ' O ' ' CG ' ' A' ' 79' ' ' MET . . . -72.25 -16.85 61.93 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.225 -0.922 . . . . 0.0 108.97 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.78 ' CE2' HG12 ' A' ' 56' ' ' VAL . 1.0 OUTLIER -78.95 -34.23 44.6 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.406 -0.809 . . . . 0.0 109.356 179.738 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.746 HG12 ' HE2' ' B' ' 7' ' ' MET . 76.5 t -72.41 -26.17 24.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.229 -0.919 . . . . 0.0 109.463 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.495 ' HA ' ' CE ' ' B' ' 7' ' ' MET . 0.8 OUTLIER -77.38 -46.71 21.9 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.303 -0.873 . . . . 0.0 110.342 -179.321 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.66 ' HB3' HG13 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -54.5 -52.68 61.17 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.162 -0.962 . . . . 0.0 109.415 -179.416 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.965 HG21 ' CG2' ' A' ' 36' ' ' ILE . 16.9 m -65.22 -44.03 95.24 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 O-C-N 121.433 -0.792 . . . . 0.0 110.634 -179.1 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.536 HG21 ' HG3' ' B' ' 7' ' ' MET . 13.0 m -70.23 -4.27 20.98 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.97 -1.081 . . . . 0.0 110.039 -179.338 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.464 ' HB ' ' HG2' ' B' ' 71' ' ' GLN . 62.6 p -128.14 9.2 6.2 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.009 -1.057 . . . . 0.0 109.722 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.477 ' CB ' HG23 ' A' ' 53' ' ' VAL . . . -80.51 -15.89 55.61 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.225 -0.922 . . . . 0.0 109.225 179.662 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 84.6 m -89.16 -175.51 4.82 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.217 -0.927 . . . . 0.0 109.327 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -125.36 -4.83 7.24 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.166 -0.959 . . . . 0.0 109.541 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -105.4 66.34 0.74 Allowed 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.189 -0.944 . . . . 0.0 109.695 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.645 ' CE1' ' CD2' ' A' ' 88' ' ' PHE . 0.1 OUTLIER -116.07 -2.24 12.29 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.274 -0.891 . . . . 0.0 109.579 179.683 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.645 ' CD2' ' CE1' ' A' ' 87' ' ' PHE . 23.1 m-85 -126.47 40.99 3.61 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.203 -0.936 . . . . 0.0 109.484 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.432 ' O ' ' CB ' ' A' ' 90' ' ' HIS . 1.6 mp0 -138.61 -90.82 0.21 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.144 -0.972 . . . . 0.0 109.639 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.432 ' CB ' ' O ' ' A' ' 89' ' ' GLU . 3.2 p-80 168.11 88.08 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.263 -0.898 . . . . 0.0 109.262 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 90' ' ' HIS . 1.3 tt0 . . . . . 0 N--CA 1.489 1.51 0 CA-C-O 118.054 -0.974 . . . . 0.0 109.476 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . 0.498 ' N ' ' OE1' ' B' ' 4' ' ' GLU . 2.2 ptt? . . . . . 0 N--CA 1.489 1.503 0 CA-C-O 121.244 0.545 . . . . 0.0 109.55 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . 0.492 ' OG ' ' HB3' ' B' ' 4' ' ' GLU . 21.3 p -94.7 -172.24 2.68 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.206 -0.934 . . . . 0.0 109.496 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.819 ' HB2' HG22 ' A' ' 13' ' ' VAL . 29.8 mm-40 -80.05 -42.62 23.38 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.279 -0.888 . . . . 0.0 109.699 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.665 HD11 HD21 ' A' ' 10' ' ' LEU . 5.8 tp -80.03 -47.98 14.03 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.289 -0.882 . . . . 0.0 110.024 -179.518 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.549 ' O ' ' CG2' ' B' ' 8' ' ' VAL . 8.0 tt0 -63.41 -38.7 92.15 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 120.977 -1.077 . . . . 0.0 110.152 -179.111 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.49 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 25.2 tptt -80.4 -38.21 30.73 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.897 -1.127 . . . . 0.0 109.799 -179.587 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.672 ' CB ' ' HB3' ' A' ' 9' ' ' ALA . . . -80.14 -65.98 0.94 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.251 -0.906 . . . . 0.0 109.847 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . 0.746 ' HE2' HG12 ' A' ' 77' ' ' VAL . 9.9 tpt -46.62 -52.78 12.89 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.562 -0.711 . . . . 0.0 109.862 -179.589 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.549 ' CG2' ' O ' ' B' ' 4' ' ' GLU . 22.5 t -62.86 -32.61 56.51 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.567 0 O-C-N 121.345 -0.847 . . . . 0.0 109.5 -179.438 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.674 ' HB3' ' CB ' ' A' ' 6' ' ' ALA . . . -58.76 -43.83 90.42 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.05 -1.031 . . . . 0.0 108.509 179.12 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.67 HD21 HD11 ' A' ' 3' ' ' LEU . 0.3 OUTLIER -50.79 -45.61 59.25 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 179.074 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.494 HG23 ' CE1' ' A' ' 88' ' ' PHE . 0.1 OUTLIER -52.58 -42.65 40.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 178.908 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -52.8 -50.12 64.28 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.338 -0.851 . . . . 0.0 109.178 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.838 HG22 ' HB2' ' A' ' 2' ' ' GLU . 94.8 t -47.95 -35.23 4.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.535 -0.728 . . . . 0.0 109.663 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.555 ' HB3' ' CZ ' ' A' ' 88' ' ' PHE . 1.1 t80 -59.99 -44.71 94.34 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.101 -1.0 . . . . 0.0 109.71 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 20.1 t-80 -65.27 -14.92 61.86 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.186 -0.946 . . . . 0.0 109.839 -179.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 15.0 tp60 -89.86 -61.82 1.61 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.237 -0.915 . . . . 0.0 109.989 -179.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.472 ' O ' ' HB2' ' B' ' 20' ' ' ARG . 44.5 m-85 -69.02 -57.6 5.22 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.315 -0.866 . . . . 0.0 110.18 -179.417 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.466 ' O ' ' O ' ' B' ' 23' ' ' ASP . 4.9 t -65.34 -36.06 82.89 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.14 -0.975 . . . . 0.0 109.879 -179.549 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.34 -5.31 48.63 Favored Glycine 0 N--CA 1.492 2.43 0 N-CA-C 109.991 -1.244 . . . . 0.0 109.991 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.472 ' HB2' ' O ' ' B' ' 17' ' ' TYR . 9.5 mtt-85 -48.97 -39.38 26.29 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.217 -1.167 . . . . 0.0 109.666 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -136.46 -160.3 1.04 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.31 -0.869 . . . . 0.0 109.81 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . 0.514 ' O ' ' N ' ' B' ' 24' ' ' LYS . . . -55.09 -34.34 58.3 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.656 -1.378 . . . . 0.0 109.656 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.466 ' O ' ' O ' ' B' ' 18' ' ' SER . 28.4 m-20 -47.05 93.75 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.273 -1.133 . . . . 0.0 109.433 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.514 ' N ' ' O ' ' B' ' 22' ' ' GLY . 23.5 mttm -106.55 12.74 29.15 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.378 -0.826 . . . . 0.0 109.37 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . 0.593 ' HE2' ' HE1' ' A' ' 87' ' ' PHE . 0.1 OUTLIER -160.27 23.75 0.16 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.246 -0.909 . . . . 0.0 109.535 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.4 ' HB3' ' OE2' ' B' ' 67' ' ' GLU . 0.0 OUTLIER -149.13 162.09 40.67 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.191 -0.943 . . . . 0.0 109.42 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.491 ' O ' ' HB2' ' B' ' 67' ' ' GLU . 0.6 OUTLIER -136.24 -154.62 0.57 Allowed 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.356 -0.84 . . . . 0.0 108.849 179.507 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.519 ' HA ' ' HA ' ' B' ' 67' ' ' GLU . 0.7 OUTLIER -149.36 148.78 29.9 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.22 -0.925 . . . . 0.0 109.003 179.617 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.766 ' O ' HD22 ' B' ' 60' ' ' LEU . 0.0 OUTLIER -58.56 -27.29 64.44 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.137 -0.977 . . . . 0.0 109.723 -179.845 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.557 ' N ' ' HG2' ' B' ' 29' ' ' LYS . 41.0 t -77.41 -38.61 49.34 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.164 -0.96 . . . . 0.0 109.936 -179.514 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.507 ' O ' ' HG2' ' B' ' 34' ' ' GLU . 9.9 tt0 -78.68 -17.92 55.17 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.021 -1.049 . . . . 0.0 108.684 179.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.691 HD13 ' HB2' ' B' ' 73' ' ' PHE . 50.8 tp -81.07 -46.8 14.44 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 107.724 -1.213 . . . . 0.0 107.724 178.615 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.454 ' CG ' HD13 ' B' ' 60' ' ' LEU . 0.1 OUTLIER -54.81 -42.94 72.46 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 178.828 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.557 ' HG3' ' N ' ' B' ' 35' ' ' LEU . 8.6 pt-20 -71.06 -41.81 70.26 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 179.127 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.557 ' N ' ' HG3' ' B' ' 34' ' ' GLU . 0.2 OUTLIER -46.4 -42.64 15.39 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 179.412 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.962 ' CG2' HG21 ' B' ' 80' ' ' VAL . 0.6 OUTLIER -79.74 -61.22 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.351 -0.843 . . . . 0.0 109.816 -179.845 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.47 ' O ' ' HB2' ' B' ' 41' ' ' SER . 34.0 t-20 -67.44 -63.97 0.95 Allowed 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.241 -0.912 . . . . 0.0 109.956 -179.336 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.494 ' HB3' ' O ' ' B' ' 34' ' ' GLU . 10.8 t30 -41.6 -51.35 4.0 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.238 -0.914 . . . . 0.0 110.56 -179.381 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.514 ' HB3' ' HB3' ' A' ' 3' ' ' LEU . 4.0 mm-40 -81.35 -83.38 0.12 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.996 -1.065 . . . . 0.0 110.794 -178.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.616 ' HG ' HD23 ' A' ' 3' ' ' LEU . 20.8 mt -46.67 -87.94 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.956 -1.09 . . . . 0.0 110.079 -179.145 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.47 ' HB2' ' O ' ' B' ' 37' ' ' ASN . 0.4 OUTLIER 44.41 58.66 3.69 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.061 -1.024 . . . . 0.0 109.565 -179.809 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -141.03 -66.83 0.42 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.222 -0.923 . . . . 0.0 109.531 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -62.92 -12.74 27.31 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.192 -0.943 . . . . 0.0 109.473 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.717 HD13 HD12 ' B' ' 47' ' ' ILE . 0.5 OUTLIER -62.72 88.27 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.336 -0.853 . . . . 0.0 109.794 -179.857 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -134.21 -58.19 0.85 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.337 -0.852 . . . . 0.0 109.109 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.474 ' O ' ' O ' ' B' ' 47' ' ' ILE . 44.7 mt-10 -115.91 -36.94 4.0 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.474 -0.766 . . . . 0.0 108.985 179.653 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.717 HD12 HD13 ' B' ' 44' ' ' LEU . 0.0 OUTLIER 59.29 121.43 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.484 -0.76 . . . . 0.0 109.454 179.587 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.457 ' HD2' ' O ' ' B' ' 48' ' ' LYS . 2.8 tmmm? -103.41 -21.49 13.79 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.178 -0.951 . . . . 0.0 109.411 179.787 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.536 ' OE1' HG23 ' B' ' 52' ' ' VAL . 8.0 mm-40 -104.57 65.27 0.76 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.357 -0.84 . . . . 0.0 109.152 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . 0.536 ' O ' ' CB ' ' B' ' 54' ' ' ASP . 0.1 OUTLIER -52.24 -22.02 3.99 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.213 -0.929 . . . . 0.0 109.456 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.461 ' O ' ' HB2' ' B' ' 55' ' ' LYS . 0.0 OUTLIER -79.85 -37.36 35.12 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.183 -0.948 . . . . 0.0 109.666 -179.822 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.666 HG13 ' HB3' ' B' ' 79' ' ' MET . 88.2 t -67.91 -47.55 78.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.109 -0.994 . . . . 0.0 109.528 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.585 HG21 HD11 ' B' ' 47' ' ' ILE . 94.9 t -74.17 -35.09 39.77 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 O-C-N 121.167 -0.958 . . . . 0.0 109.209 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . 0.536 ' CB ' ' O ' ' B' ' 50' ' ' GLN . 34.5 t70 -75.05 -17.27 60.52 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.266 -0.896 . . . . 0.0 108.911 179.374 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.461 ' HB2' ' O ' ' B' ' 51' ' ' GLU . 4.0 mtpt -79.63 -48.71 13.28 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.233 -0.917 . . . . 0.0 109.42 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.772 HG12 ' CE2' ' B' ' 76' ' ' PHE . 3.0 m -72.85 -36.03 50.97 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 121.095 -1.003 . . . . 0.0 109.127 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 48.4 tpp -72.47 -26.26 61.74 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 179.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . 0.464 ' HB2' ' O ' ' B' ' 54' ' ' ASP . 3.5 mt-10 -74.73 -49.92 19.34 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.241 -0.912 . . . . 0.0 108.773 179.389 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 3.9 m -65.08 -25.95 68.02 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.145 -1.058 . . . . 0.0 108.145 179.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.766 HD22 ' O ' ' B' ' 29' ' ' LYS . 10.6 mt -68.08 -53.62 24.2 Favored 'General case' 0 C--N 1.303 -1.43 0 CA-C-O 121.482 0.658 . . . . 0.0 109.289 179.439 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.92 -7.42 58.75 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.636 -0.665 . . . . 0.0 109.837 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' B' ' 58' ' ' GLU . 30.8 tt0 -80.67 -44.71 18.36 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.201 -0.937 . . . . 0.0 109.609 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.43 -73.23 0.39 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.4 -0.813 . . . . 0.0 109.564 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . 0.457 ' HA2' ' HG3' ' B' ' 29' ' ' LYS . . . 63.32 11.2 39.03 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.814 -1.314 . . . . 0.0 109.814 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.595 ' N ' ' HD2' ' B' ' 29' ' ' LYS . 10.4 t0 -144.55 -29.51 0.47 Allowed 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.181 -1.187 . . . . 0.0 110.618 -179.403 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.483 ' O ' ' HD3' ' B' ' 29' ' ' LYS . . . -89.1 168.56 35.5 Favored Glycine 0 N--CA 1.487 2.045 0 C-N-CA 119.769 -1.205 . . . . 0.0 110.732 -178.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.519 ' HA ' ' HA ' ' B' ' 28' ' ' LYS . 9.4 pt-20 -101.15 168.56 9.5 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.562 -0.964 . . . . 0.0 110.046 -179.56 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 34.3 m -113.49 164.83 13.12 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.394 -0.816 . . . . 0.0 109.23 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -97.66 179.34 4.86 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.257 -0.902 . . . . 0.0 109.244 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.61 -33.95 35.47 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.231 -0.918 . . . . 0.0 108.583 179.417 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.464 ' HG2' ' HB ' ' A' ' 82' ' ' THR . 11.4 mt-30 -79.73 -27.25 40.62 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.317 -0.865 . . . . 0.0 108.687 179.154 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.35 -53.79 8.95 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.333 -0.854 . . . . 0.0 108.849 179.49 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.691 ' HB2' HD13 ' B' ' 32' ' ' LEU . 0.0 OUTLIER -63.14 -24.34 67.85 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 179.363 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.54 ' HE3' HD22 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -71.97 -50.31 29.93 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.58 -0.7 . . . . 0.0 109.46 -179.896 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.527 ' O ' ' CG ' ' B' ' 79' ' ' MET . . . -72.2 -16.7 61.95 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.133 -0.98 . . . . 0.0 109.002 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.772 ' CE2' HG12 ' B' ' 56' ' ' VAL . 1.0 OUTLIER -79.23 -34.06 43.13 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.443 -0.786 . . . . 0.0 109.298 179.757 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.743 HG12 ' HE2' ' A' ' 7' ' ' MET . 76.6 t -72.45 -26.2 23.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.383 -0.823 . . . . 0.0 109.405 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . 0.484 ' HB3' ' HB3' ' A' ' 74' ' ' MET . 0.8 OUTLIER -77.37 -46.71 21.95 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.317 -0.865 . . . . 0.0 110.389 -179.312 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . 0.666 ' HB3' HG13 ' B' ' 52' ' ' VAL . 0.0 OUTLIER -54.47 -52.73 60.95 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.106 -0.996 . . . . 0.0 109.389 -179.411 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.962 HG21 ' CG2' ' B' ' 36' ' ' ILE . 17.0 m -65.23 -44.02 95.21 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 O-C-N 121.358 -0.839 . . . . 0.0 110.623 -179.099 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.531 HG21 ' HG3' ' A' ' 7' ' ' MET . 13.5 m -70.23 -4.25 20.84 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.93 -1.106 . . . . 0.0 109.98 -179.363 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.465 ' HB ' ' HG2' ' A' ' 71' ' ' GLN . 59.6 p -128.15 9.2 6.2 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.952 -1.093 . . . . 0.0 109.716 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.47 ' CB ' HG23 ' B' ' 53' ' ' VAL . . . -80.57 -15.87 55.58 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.167 -0.958 . . . . 0.0 109.151 179.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 84.2 m -89.27 -175.53 4.8 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.357 -0.839 . . . . 0.0 109.357 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -125.19 -4.91 7.33 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.19 -0.944 . . . . 0.0 109.558 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -105.46 66.33 0.74 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.31 -0.869 . . . . 0.0 109.799 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . 0.653 ' CE1' ' CD2' ' B' ' 88' ' ' PHE . 0.1 OUTLIER -116.05 -2.24 12.3 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.171 -0.955 . . . . 0.0 109.586 179.75 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.653 ' CD2' ' CE1' ' B' ' 87' ' ' PHE . 23.1 m-85 -126.49 40.93 3.63 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.175 -0.953 . . . . 0.0 109.486 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.433 ' O ' ' CB ' ' B' ' 90' ' ' HIS . 1.6 mp0 -138.56 -90.86 0.21 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.19 -0.944 . . . . 0.0 109.654 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . 0.433 ' CB ' ' O ' ' B' ' 89' ' ' GLU . 3.2 p-80 168.1 88.11 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.257 -0.902 . . . . 0.0 109.261 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' B' ' 90' ' ' HIS . 1.3 tt0 . . . . . 0 N--CA 1.488 1.469 0 CA-C-O 118.003 -0.998 . . . . 0.0 109.481 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 3.5 ttt . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.492 ' CB ' ' CD ' ' B' ' 39' ' ' GLU . 1.4 t -121.7 168.7 11.5 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.143 -0.973 . . . . 0.0 109.584 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.919 ' HB3' HG22 ' B' ' 13' ' ' VAL . 2.4 tp10 -80.15 -37.14 34.03 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.34 -0.85 . . . . 0.0 109.465 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 1.055 HD22 HD12 ' B' ' 35' ' ' LEU . 16.8 tp -77.93 -51.17 10.83 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.361 -0.837 . . . . 0.0 109.708 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.62 ' HG3' HG21 ' A' ' 8' ' ' VAL . 25.5 tt0 -53.18 -51.06 63.28 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.359 -0.838 . . . . 0.0 110.096 -179.412 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.856 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -57.45 -35.0 69.56 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.116 -0.99 . . . . 0.0 110.568 -178.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.73 -71.06 0.48 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.001 -1.062 . . . . 0.0 110.395 -179.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 1.103 ' HE3' HG12 ' B' ' 77' ' ' VAL . 31.9 tpp -49.8 -53.67 23.9 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.273 -0.892 . . . . 0.0 109.675 -179.402 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.62 HG21 ' HG3' ' A' ' 4' ' ' GLU . 4.5 t -61.96 -28.17 43.82 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.535 0 O-C-N 121.442 -0.786 . . . . 0.0 109.802 -179.448 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.856 ' HB2' ' O ' ' A' ' 5' ' ' LYS . . . -66.24 -43.62 86.05 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.018 -1.051 . . . . 0.0 109.128 179.601 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.991 HD22 ' CE ' ' A' ' 74' ' ' MET . 0.2 OUTLIER -51.55 -43.93 62.51 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.251 -0.906 . . . . 0.0 108.731 179.719 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.759 HG23 ' CE1' ' B' ' 88' ' ' PHE . 96.7 mt -53.07 -42.0 43.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.247 -0.908 . . . . 0.0 108.773 179.216 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 13' ' ' VAL . 11.9 t70 -54.52 -55.72 26.21 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.319 -0.863 . . . . 0.0 109.483 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.917 HG22 ' HB3' ' B' ' 2' ' ' GLU . 28.3 t -43.17 -32.45 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.435 -0.79 . . . . 0.0 109.484 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.503 ' CZ ' HD23 ' A' ' 27' ' ' LEU . 1.1 t80 -63.74 -69.41 0.28 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.18 -0.95 . . . . 0.0 109.896 -179.523 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 4.1 t-160 -45.87 -24.51 0.4 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.138 -0.976 . . . . 0.0 109.891 -179.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.32 -52.52 12.0 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.112 -0.992 . . . . 0.0 109.73 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.685 ' CG ' HD21 ' A' ' 35' ' ' LEU . 27.2 m-85 -91.14 19.88 5.46 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.254 -0.904 . . . . 0.0 109.835 -179.619 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.4 t -104.29 -31.23 9.67 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.06 -1.025 . . . . 0.0 109.355 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.86 -32.36 57.03 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.597 -1.401 . . . . 0.0 109.597 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.6 mtt85 -56.17 -69.32 0.15 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.255 -1.144 . . . . 0.0 109.435 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.454 ' O ' ' O ' ' A' ' 22' ' ' GLY . 2.4 mt-10 -122.64 -164.62 1.2 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.295 -0.878 . . . . 0.0 109.472 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.454 ' O ' ' O ' ' A' ' 21' ' ' GLU . . . 50.66 178.61 0.02 OUTLIER Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.569 -1.412 . . . . 0.0 109.569 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -69.1 -158.18 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.322 0 O-C-N 121.173 -1.192 . . . . 0.0 109.487 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.401 ' C ' ' CG ' ' A' ' 25' ' ' HIS . 4.6 mmtt -94.32 5.51 51.55 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.262 -0.899 . . . . 0.0 109.64 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.406 ' C ' ' HG2' ' A' ' 26' ' ' LYS . 47.4 m80 -152.08 28.07 0.6 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.121 -0.987 . . . . 0.0 109.395 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.406 ' HG2' ' C ' ' A' ' 25' ' ' HIS . 1.9 mmmm -142.81 138.25 30.23 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.308 -0.87 . . . . 0.0 109.171 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.525 ' CD1' ' HB3' ' A' ' 31' ' ' GLU . 0.3 OUTLIER -94.5 -157.14 0.54 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.25 -0.906 . . . . 0.0 109.427 -179.916 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.549 ' HA ' ' HA ' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -150.39 167.57 26.68 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.547 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.561 ' HB3' ' O ' ' A' ' 64' ' ' GLY . 0.0 OUTLIER -76.16 -31.45 58.56 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.911 -1.118 . . . . 0.0 108.487 179.394 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.534 ' N ' ' HD2' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -79.11 -27.69 42.93 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.485 -0.759 . . . . 0.0 109.604 179.916 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.525 ' HB3' ' CD1' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -89.82 -22.09 22.26 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 179.393 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.874 HD13 ' HD2' ' A' ' 73' ' ' PHE . 2.6 tp -81.7 -37.61 27.09 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 178.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.436 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 8.4 tttt -65.41 -32.84 74.69 Favored 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 179.423 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.556 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 7.6 pt-20 -80.55 -39.03 28.49 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 179.303 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 1.07 HD12 HD22 ' B' ' 3' ' ' LEU . 0.1 OUTLIER -49.77 -51.68 37.46 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 179.419 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 1.019 HG21 HG21 ' A' ' 80' ' ' VAL . 0.1 OUTLIER -80.07 -52.46 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 CA-C-O 121.921 0.867 . . . . 0.0 109.597 -179.892 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -65.55 -1.19 2.42 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.228 -0.92 . . . . 0.0 111.461 -179.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.556 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 18.1 t30 -100.09 -43.92 6.17 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.712 -1.242 . . . . 0.0 109.302 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.565 ' CG ' ' HB2' ' B' ' 4' ' ' GLU . 42.9 tp10 -117.21 -36.66 3.71 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.314 -0.866 . . . . 0.0 109.381 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.783 ' CD2' HD23 ' B' ' 3' ' ' LEU . 0.2 OUTLIER -74.15 -19.59 60.51 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.441 -0.787 . . . . 0.0 109.919 -179.785 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.581 ' O ' HD13 ' A' ' 44' ' ' LEU . 0.2 OUTLIER -70.47 -9.47 56.62 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.373 -0.83 . . . . 0.0 109.865 -179.558 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -86.65 17.01 4.17 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.089 -1.007 . . . . 0.0 109.556 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.828 ' C ' HD12 ' A' ' 44' ' ' LEU . 38.4 m-85 -131.92 67.05 1.53 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.214 -0.929 . . . . 0.0 109.344 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.828 HD12 ' C ' ' A' ' 43' ' ' PHE . 5.8 mp -142.86 -122.91 0.09 Allowed 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.273 -0.892 . . . . 0.0 109.443 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.54 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 4.9 mt-10 68.49 6.79 5.61 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.874 -1.141 . . . . 0.0 109.308 -179.637 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.54 ' CG ' ' O ' ' A' ' 45' ' ' GLU . 13.8 mt-10 -164.8 29.67 0.06 Allowed 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.509 ' HA ' ' HA ' ' A' ' 84' ' ' CYS . 62.3 mt -42.06 125.19 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.456 -0.778 . . . . 0.0 110.007 -179.51 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -117.47 -46.4 2.68 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.416 -0.802 . . . . 0.0 109.266 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.884 ' OE1' HG23 ' A' ' 52' ' ' VAL . 12.7 mm-40 -77.25 80.4 3.76 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.143 -0.973 . . . . 0.0 108.998 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.485 ' O ' ' HB2' ' A' ' 54' ' ' ASP . 29.1 tt0 -64.28 -28.19 69.55 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.386 -0.821 . . . . 0.0 109.843 -179.656 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.74 -34.41 52.57 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.067 -1.021 . . . . 0.0 110.297 -179.25 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.884 HG23 ' OE1' ' A' ' 49' ' ' GLU . 90.6 t -71.69 -46.08 63.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.099 -1.0 . . . . 0.0 110.053 -179.475 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.467 ' O ' ' CB ' ' A' ' 57' ' ' MET . 97.0 t -77.53 -30.21 16.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.475 0 O-C-N 121.12 -0.988 . . . . 0.0 109.705 -179.698 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.524 ' O ' ' HB2' ' A' ' 58' ' ' GLU . 2.0 m-20 -80.94 -18.12 48.16 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.093 -1.005 . . . . 0.0 109.018 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -79.7 -44.59 20.54 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.025 -1.047 . . . . 0.0 109.388 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.891 HG12 ' CE2' ' A' ' 76' ' ' PHE . 3.2 m -80.25 -33.44 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 O-C-N 121.017 -1.052 . . . . 0.0 108.709 179.311 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.467 ' CB ' ' O ' ' A' ' 53' ' ' VAL . 0.1 OUTLIER -75.16 -22.27 58.2 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.724 -0.61 . . . . 0.0 109.545 179.832 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.524 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 4.4 mt-10 -80.03 -45.37 18.47 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.933 -1.104 . . . . 0.0 109.429 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 93.4 m -68.05 -27.54 66.6 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 179.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.7 mt -70.55 -61.99 1.56 Allowed 'General case' 0 C--N 1.304 -1.412 0 CA-C-O 121.504 0.668 . . . . 0.0 109.484 179.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.98 -7.57 54.01 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.815 -0.553 . . . . 0.0 110.307 -179.42 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' A' ' 58' ' ' GLU . 0.2 OUTLIER -72.91 -58.77 3.09 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.068 -1.02 . . . . 0.0 108.788 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.477 ' HB2' ' O ' ' A' ' 62' ' ' GLU . 27.6 t70 175.61 64.99 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.498 0 C-N-CA 119.926 -0.71 . . . . 0.0 109.474 179.653 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.595 ' O ' ' N ' ' A' ' 66' ' ' GLY . . . -91.18 19.97 43.21 Favored Glycine 0 N--CA 1.488 2.121 0 N-CA-C 108.853 -1.699 . . . . 0.0 108.853 179.446 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.528 ' N ' ' HE2' ' A' ' 29' ' ' LYS . 12.0 t70 -34.91 -25.18 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.919 -0.754 . . . . 0.0 111.174 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.595 ' N ' ' O ' ' A' ' 64' ' ' GLY . . . -86.43 171.16 43.46 Favored Glycine 0 N--CA 1.484 1.877 0 N-CA-C 109.351 -1.5 . . . . 0.0 109.351 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.549 ' HA ' ' HA ' ' A' ' 28' ' ' LYS . 14.6 mt-10 -76.06 157.84 32.51 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.543 -0.975 . . . . 0.0 110.745 -178.604 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.449 ' HB3' ' CG ' ' A' ' 72' ' ' GLU . 39.9 m -111.26 168.49 9.48 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 179.651 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -99.83 175.88 5.63 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.896 -1.127 . . . . 0.0 109.369 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.603 ' CZ ' HG12 ' A' ' 11' ' ' ILE . 11.0 t80 -75.3 -28.42 59.72 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.215 -0.928 . . . . 0.0 109.569 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.1 -30.99 55.6 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.324 -0.86 . . . . 0.0 110.207 -179.543 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.553 ' HG3' ' N ' ' A' ' 73' ' ' PHE . 1.4 pt-20 -76.93 -44.71 30.51 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 120.851 -1.156 . . . . 0.0 108.589 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.874 ' HD2' HD13 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -68.87 -21.46 64.26 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 178.836 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.991 ' CE ' HD22 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -76.03 -53.71 7.94 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.569 -0.707 . . . . 0.0 109.28 -179.895 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.526 ' O ' ' HG3' ' A' ' 79' ' ' MET . . . -71.56 -19.02 62.21 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.366 -0.834 . . . . 0.0 108.983 179.749 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.891 ' CE2' HG12 ' A' ' 56' ' ' VAL . 2.9 m-85 -80.42 -33.4 36.99 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.348 -0.845 . . . . 0.0 109.983 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 1.058 HG12 ' HE3' ' B' ' 7' ' ' MET . 77.0 t -76.71 -28.93 17.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 120.955 -1.091 . . . . 0.0 109.773 -179.537 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.572 ' HA ' ' HE1' ' B' ' 7' ' ' MET . 56.7 m -79.03 -34.51 43.84 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.138 -0.976 . . . . 0.0 110.009 -179.665 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.607 ' HB3' HG13 ' A' ' 52' ' ' VAL . 2.4 mmm -64.17 -45.66 87.44 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.154 -0.966 . . . . 0.0 109.95 -179.645 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 1.019 HG21 HG21 ' A' ' 36' ' ' ILE . 16.3 m -72.19 -42.24 66.69 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 O-C-N 121.179 -0.951 . . . . 0.0 110.57 -179.142 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.921 HG21 ' CG ' ' B' ' 7' ' ' MET . 5.8 m -62.32 -12.48 21.15 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.954 -1.091 . . . . 0.0 109.985 -179.481 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 69.9 p -114.4 -8.52 12.83 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.075 -1.016 . . . . 0.0 109.493 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.606 ' HB1' ' HB2' ' A' ' 49' ' ' GLU . . . -100.56 60.44 0.99 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.31 -0.869 . . . . 0.0 109.601 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.509 ' HA ' ' HA ' ' A' ' 47' ' ' ILE . 1.8 p -160.09 27.65 0.17 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.11 -0.993 . . . . 0.0 109.76 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 48.36 40.11 13.89 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.288 -0.882 . . . . 0.0 109.601 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -110.89 46.61 1.05 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.26 -0.9 . . . . 0.0 109.218 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.592 ' CZ ' ' HB3' ' B' ' 70' ' ' PHE . 0.2 OUTLIER -69.38 100.42 1.36 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.403 -0.81 . . . . 0.0 109.696 -179.899 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.724 ' CE1' HG23 ' B' ' 11' ' ' ILE . 39.2 m-85 46.89 95.74 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.214 -0.929 . . . . 0.0 109.548 179.677 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.468 ' O ' ' HG3' ' A' ' 89' ' ' GLU . 2.7 tp10 -91.43 -1.74 57.48 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.301 -0.874 . . . . 0.0 109.811 -179.59 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 11.9 p80 -44.76 -26.3 0.38 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.161 -0.962 . . . . 0.0 109.91 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 22.9 tp10 . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 118.0 -1.0 . . . . 0.0 109.5 -179.92 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 3.5 ttt . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . 0.438 ' CB ' ' CD ' ' A' ' 39' ' ' GLU . 1.4 t -121.78 168.81 11.4 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.25 -0.906 . . . . 0.0 109.537 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.917 ' HB3' HG22 ' A' ' 13' ' ' VAL . 2.4 tp10 -80.2 -37.11 33.86 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.264 -0.897 . . . . 0.0 109.548 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 1.07 HD22 HD12 ' A' ' 35' ' ' LEU . 16.7 tp -77.97 -51.2 10.75 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.416 -0.802 . . . . 0.0 109.653 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.602 ' HG3' HG21 ' B' ' 8' ' ' VAL . 25.4 tt0 -53.1 -51.08 63.01 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.403 -0.811 . . . . 0.0 110.125 -179.487 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.856 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 0.0 OUTLIER -57.58 -34.96 69.76 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.124 -0.985 . . . . 0.0 110.561 -178.865 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.401 ' HB1' ' N ' ' A' ' 10' ' ' LEU . . . -80.69 -71.04 0.48 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.103 -0.998 . . . . 0.0 110.463 -179.228 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . 1.058 ' HE3' HG12 ' A' ' 77' ' ' VAL . 31.9 tpp -49.76 -53.79 22.93 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.312 -0.867 . . . . 0.0 109.608 -179.399 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.602 HG21 ' HG3' ' B' ' 4' ' ' GLU . 4.5 t -61.94 -28.12 43.69 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.51 0 O-C-N 121.485 -0.76 . . . . 0.0 109.82 -179.372 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.856 ' HB2' ' O ' ' B' ' 5' ' ' LYS . . . -66.24 -43.58 86.18 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.034 -1.041 . . . . 0.0 109.12 179.579 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.994 HD22 ' CE ' ' B' ' 74' ' ' MET . 0.2 OUTLIER -51.6 -43.88 62.65 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.229 -0.919 . . . . 0.0 108.687 179.759 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.724 HG23 ' CE1' ' A' ' 88' ' ' PHE . 96.7 mt -53.13 -42.05 44.39 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.317 -0.864 . . . . 0.0 108.754 179.246 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' B' ' 13' ' ' VAL . 11.9 t70 -54.49 -55.58 27.58 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.432 -0.793 . . . . 0.0 109.483 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.919 HG22 ' HB3' ' A' ' 2' ' ' GLU . 28.1 t -43.29 -32.46 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 121.559 -0.713 . . . . 0.0 109.469 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.5 ' CZ ' HD23 ' B' ' 27' ' ' LEU . 1.1 t80 -63.71 -69.35 0.28 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.354 -0.841 . . . . 0.0 109.922 -179.558 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 4.1 t-160 -45.91 -24.42 0.4 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.144 -0.973 . . . . 0.0 109.914 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.53 -52.34 12.15 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.138 -0.976 . . . . 0.0 109.751 -179.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.685 ' CG ' HD21 ' B' ' 35' ' ' LEU . 26.9 m-85 -91.2 19.88 5.52 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.233 -0.917 . . . . 0.0 109.811 -179.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 5.3 t -104.25 -31.22 9.69 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.132 -0.98 . . . . 0.0 109.383 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.03 -32.31 56.71 Favored Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.516 -1.434 . . . . 0.0 109.516 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 7.5 mtt85 -56.1 -69.36 0.15 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.313 -1.11 . . . . 0.0 109.477 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.446 ' O ' ' O ' ' B' ' 22' ' ' GLY . 2.4 mt-10 -122.62 -164.54 1.19 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.395 -0.816 . . . . 0.0 109.489 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . 0.446 ' O ' ' O ' ' B' ' 21' ' ' GLU . . . 50.69 178.6 0.03 OUTLIER Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -69.18 -158.22 0.02 OUTLIER 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.274 -1.133 . . . . 0.0 109.485 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 4.6 mmtt -94.31 5.5 51.57 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.227 -0.921 . . . . 0.0 109.577 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . 0.416 ' C ' ' HG2' ' B' ' 26' ' ' LYS . 47.1 m80 -152.05 28.02 0.6 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.233 -0.917 . . . . 0.0 109.45 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.416 ' HG2' ' C ' ' B' ' 25' ' ' HIS . 1.9 mmmm -142.78 138.19 30.25 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.244 -0.91 . . . . 0.0 109.148 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.521 HD22 ' HA ' ' B' ' 27' ' ' LEU . 0.3 OUTLIER -94.55 -157.16 0.54 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.283 -0.885 . . . . 0.0 109.487 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.555 ' HA ' ' HA ' ' B' ' 67' ' ' GLU . 0.0 OUTLIER -150.3 167.69 26.24 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 179.545 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.562 ' HB3' ' O ' ' B' ' 64' ' ' GLY . 0.0 OUTLIER -76.17 -31.59 58.6 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.963 -1.086 . . . . 0.0 108.426 179.399 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.528 ' N ' ' HD2' ' B' ' 29' ' ' LYS . 0.3 OUTLIER -79.03 -27.77 43.23 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.39 -0.819 . . . . 0.0 109.573 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.521 ' HB3' ' CD1' ' B' ' 27' ' ' LEU . 0.8 OUTLIER -89.78 -22.09 22.32 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 179.396 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.869 HD13 ' HD2' ' B' ' 73' ' ' PHE . 2.6 tp -81.73 -37.68 26.93 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 178.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.444 ' HB2' ' O ' ' B' ' 29' ' ' LYS . 8.4 tttt -65.37 -32.84 74.69 Favored 'General case' 0 N--CA 1.486 1.353 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 179.395 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.553 ' O ' ' CB ' ' B' ' 38' ' ' ASN . 7.5 pt-20 -80.6 -39.02 28.29 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 179.299 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 1.055 HD12 HD22 ' A' ' 3' ' ' LEU . 0.1 OUTLIER -49.81 -51.7 37.7 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.457 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.989 HG21 HG21 ' B' ' 80' ' ' VAL . 0.1 OUTLIER -79.99 -52.49 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 CA-C-O 121.888 0.851 . . . . 0.0 109.578 -179.906 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -65.51 -1.35 2.51 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.246 -0.909 . . . . 0.0 111.431 -179.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.553 ' CB ' ' O ' ' B' ' 34' ' ' GLU . 18.2 t30 -99.96 -43.9 6.22 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.68 -1.263 . . . . 0.0 109.372 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.542 ' CG ' ' HB2' ' A' ' 4' ' ' GLU . 43.0 tp10 -117.26 -36.63 3.71 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.37 -0.831 . . . . 0.0 109.343 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.833 ' CD2' HD23 ' A' ' 3' ' ' LEU . 0.2 OUTLIER -74.22 -19.64 60.45 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.366 -0.834 . . . . 0.0 109.788 -179.672 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.58 ' O ' HD13 ' B' ' 44' ' ' LEU . 0.2 OUTLIER -70.44 -9.5 56.62 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.255 -0.903 . . . . 0.0 109.921 -179.566 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -86.55 16.82 4.27 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.052 -1.03 . . . . 0.0 109.532 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . 0.812 ' C ' HD12 ' B' ' 44' ' ' LEU . 38.5 m-85 -131.86 67.19 1.53 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.314 -0.866 . . . . 0.0 109.339 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.812 HD12 ' C ' ' B' ' 43' ' ' PHE . 5.8 mp -142.89 -122.99 0.09 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.347 -0.846 . . . . 0.0 109.458 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.538 ' O ' ' CG ' ' B' ' 46' ' ' GLU . 4.9 mt-10 68.51 6.73 5.58 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.783 -1.198 . . . . 0.0 109.322 -179.604 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.538 ' CG ' ' O ' ' B' ' 45' ' ' GLU . 13.7 mt-10 -164.68 29.56 0.07 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.38 -0.825 . . . . 0.0 108.801 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.505 ' HA ' ' HA ' ' B' ' 84' ' ' CYS . 61.9 mt -41.88 125.12 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.475 -0.765 . . . . 0.0 110.01 -179.566 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -117.47 -46.29 2.68 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.362 -0.836 . . . . 0.0 109.317 179.69 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.886 ' OE1' HG23 ' B' ' 52' ' ' VAL . 12.6 mm-40 -77.29 80.38 3.79 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.159 -0.963 . . . . 0.0 109.004 179.6 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . 0.495 ' O ' ' HB2' ' B' ' 54' ' ' ASP . 29.0 tt0 -64.38 -28.0 69.39 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.368 -0.833 . . . . 0.0 109.87 -179.616 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.74 -34.36 52.58 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.12 -0.988 . . . . 0.0 110.314 -179.361 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.886 HG23 ' OE1' ' B' ' 49' ' ' GLU . 91.0 t -71.8 -46.0 63.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.078 -1.014 . . . . 0.0 110.023 -179.446 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.476 ' O ' ' HB2' ' B' ' 57' ' ' MET . 96.4 t -77.66 -30.16 16.64 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.065 -1.022 . . . . 0.0 109.645 -179.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . 0.528 ' O ' ' HB2' ' B' ' 58' ' ' GLU . 2.0 m-20 -80.94 -18.07 48.35 Favored 'General case' 0 C--N 1.303 -1.446 0 C-N-CA 119.232 -0.987 . . . . 0.0 108.988 179.599 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -79.76 -44.6 20.39 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.065 -1.022 . . . . 0.0 109.337 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.888 HG12 ' CE2' ' B' ' 76' ' ' PHE . 3.2 m -80.28 -33.38 14.08 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.357 0 O-C-N 120.979 -1.076 . . . . 0.0 108.69 179.378 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.476 ' HB2' ' O ' ' B' ' 53' ' ' VAL . 0.1 OUTLIER -75.18 -22.21 58.18 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.81 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . 0.528 ' HB2' ' O ' ' B' ' 54' ' ' ASP . 4.4 mt-10 -80.06 -45.44 18.29 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.942 -1.098 . . . . 0.0 109.317 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 92.8 m -68.17 -27.37 66.35 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 179.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 12.6 mt -70.64 -61.96 1.57 Allowed 'General case' 0 C--N 1.302 -1.497 0 CA-C-O 121.492 0.663 . . . . 0.0 109.458 179.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.1 -7.47 53.83 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.869 -0.519 . . . . 0.0 110.253 -179.395 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.511 ' CB ' ' O ' ' B' ' 58' ' ' GLU . 0.2 OUTLIER -72.94 -58.78 3.08 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.004 -1.06 . . . . 0.0 108.681 179.931 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.478 ' HB2' ' O ' ' B' ' 62' ' ' GLU . 27.7 t70 175.62 65.01 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.519 0 C-N-CA 119.976 -0.69 . . . . 0.0 109.494 179.682 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . 0.584 ' O ' ' N ' ' B' ' 66' ' ' GLY . . . -91.13 20.0 42.88 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 108.903 -1.679 . . . . 0.0 108.903 179.372 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.519 ' N ' ' HE2' ' B' ' 29' ' ' LYS . 12.0 t70 -34.97 -25.09 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.95 -0.735 . . . . 0.0 111.258 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.584 ' N ' ' O ' ' B' ' 64' ' ' GLY . . . -86.47 171.2 43.42 Favored Glycine 0 N--CA 1.483 1.83 0 N-CA-C 109.403 -1.479 . . . . 0.0 109.403 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.555 ' HA ' ' HA ' ' B' ' 28' ' ' LYS . 14.7 mt-10 -76.03 157.75 32.65 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.598 -0.943 . . . . 0.0 110.733 -178.601 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.446 ' HB3' ' CG ' ' B' ' 72' ' ' GLU . 39.6 m -111.23 168.54 9.43 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.698 -0.852 . . . . 0.0 108.698 179.594 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -99.74 175.87 5.65 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.819 -1.176 . . . . 0.0 109.349 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.602 ' CZ ' HG12 ' B' ' 11' ' ' ILE . 11.0 t80 -75.26 -28.36 59.78 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.313 -0.867 . . . . 0.0 109.597 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.14 -31.04 55.35 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.228 -0.92 . . . . 0.0 110.21 -179.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.566 ' HG3' ' N ' ' B' ' 73' ' ' PHE . 1.4 pt-20 -77.04 -44.59 30.22 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 120.935 -1.103 . . . . 0.0 108.452 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.869 ' HD2' HD13 ' B' ' 32' ' ' LEU . 0.1 OUTLIER -69.05 -21.39 64.1 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 178.914 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.994 ' CE ' HD22 ' B' ' 10' ' ' LEU . 0.1 OUTLIER -76.01 -53.65 8.04 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.627 -0.671 . . . . 0.0 109.374 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.51 ' O ' ' HG3' ' B' ' 79' ' ' MET . . . -71.66 -18.94 62.15 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.286 -0.884 . . . . 0.0 108.976 179.721 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.888 ' CE2' HG12 ' B' ' 56' ' ' VAL . 2.9 m-85 -80.46 -33.37 36.77 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.435 -0.791 . . . . 0.0 110.026 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 1.103 HG12 ' HE3' ' A' ' 7' ' ' MET . 77.5 t -76.61 -29.19 18.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.1 -1.0 . . . . 0.0 109.765 -179.594 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . 0.699 ' HA ' ' HE1' ' A' ' 7' ' ' MET . 55.1 m -78.87 -34.48 44.89 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.191 -0.943 . . . . 0.0 110.091 -179.626 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . 0.598 ' HB3' HG13 ' B' ' 52' ' ' VAL . 2.4 mmm -64.17 -45.59 87.73 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 121.032 -1.043 . . . . 0.0 110.01 -179.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.989 HG21 HG21 ' B' ' 36' ' ' ILE . 16.2 m -72.37 -42.16 65.13 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 O-C-N 121.268 -0.895 . . . . 0.0 110.572 -179.199 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.934 HG21 ' CG ' ' A' ' 7' ' ' MET . 5.8 m -62.26 -12.48 20.77 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.934 -1.104 . . . . 0.0 109.962 -179.544 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 69.0 p -114.41 -8.48 12.83 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.074 -1.016 . . . . 0.0 109.55 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.619 ' HB1' ' HB2' ' B' ' 49' ' ' GLU . . . -100.71 60.58 0.98 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.312 -0.867 . . . . 0.0 109.537 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . 0.505 ' HA ' ' HA ' ' B' ' 47' ' ' ILE . 1.8 p -160.12 27.51 0.17 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.16 -0.963 . . . . 0.0 109.861 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 48.48 40.05 14.23 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.229 -0.919 . . . . 0.0 109.564 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -110.82 46.54 1.05 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.196 -0.94 . . . . 0.0 109.209 179.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . 0.578 ' CZ ' ' HB3' ' A' ' 70' ' ' PHE . 0.2 OUTLIER -69.39 100.4 1.36 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.293 -0.879 . . . . 0.0 109.725 -179.904 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.759 ' CE1' HG23 ' A' ' 11' ' ' ILE . 39.4 m-85 46.89 95.66 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.345 -0.847 . . . . 0.0 109.558 179.721 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.47 ' O ' ' HG3' ' B' ' 89' ' ' GLU . 2.7 tp10 -91.33 -1.86 57.52 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.29 -0.881 . . . . 0.0 109.86 -179.624 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . 0.405 ' C ' ' O ' ' B' ' 89' ' ' GLU . 11.9 p80 -44.7 -26.25 0.37 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.087 -1.008 . . . . 0.0 109.916 -179.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 . . . . . 0 N--CA 1.492 1.659 0 CA-C-O 118.004 -0.998 . . . . 0.0 109.445 -179.887 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . 0.41 ' SD ' ' N ' ' A' ' 0' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.2 t -136.48 162.78 32.12 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.19 -0.944 . . . . 0.0 109.645 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.761 ' HB3' HG22 ' B' ' 13' ' ' VAL . 0.0 OUTLIER -73.42 -57.01 4.31 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.29 -0.881 . . . . 0.0 109.444 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.871 HD22 HD12 ' B' ' 35' ' ' LEU . 9.0 tp -61.8 -38.08 86.76 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.305 -0.872 . . . . 0.0 109.726 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.55 ' HA ' ' CD2' ' B' ' 40' ' ' LEU . 1.2 tt0 -62.46 -53.61 52.36 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.12 -0.988 . . . . 0.0 110.198 -179.333 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.433 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 5.9 mttm -62.01 -36.61 82.05 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.855 -1.153 . . . . 0.0 110.7 -179.113 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.52 ' HB1' ' HB3' ' B' ' 9' ' ' ALA . . . -80.32 -70.43 0.52 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.064 -1.022 . . . . 0.0 110.453 -179.181 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 1.045 ' HE2' HG12 ' B' ' 77' ' ' VAL . 0.2 OUTLIER -45.99 -53.81 9.42 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.381 -0.824 . . . . 0.0 109.874 -179.389 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 4' ' ' GLU . 33.0 t -56.9 -36.71 51.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 C-N-CA 119.527 -0.869 . . . . 0.0 109.088 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.528 ' HB3' ' HB1' ' B' ' 6' ' ' ALA . . . -52.05 -43.06 63.61 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 179.092 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.56 HD22 ' SD ' ' A' ' 74' ' ' MET . 0.2 OUTLIER -51.82 -51.84 53.59 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 179.122 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.859 HG23 ' CD2' ' B' ' 88' ' ' PHE . 1.6 mp -49.59 -39.94 14.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 179.137 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -50.57 -51.13 51.03 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.353 -0.842 . . . . 0.0 109.239 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.75 HG22 ' HB3' ' B' ' 2' ' ' GLU . 43.9 t -55.0 -35.08 33.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.531 -0.73 . . . . 0.0 109.447 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.679 ' CE1' HD23 ' A' ' 27' ' ' LEU . 19.2 t80 -63.42 -37.74 88.46 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.218 -0.926 . . . . 0.0 109.649 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.44 ' O ' ' HA3' ' A' ' 19' ' ' GLY . 20.6 t-80 -75.6 -12.42 60.21 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.149 -0.969 . . . . 0.0 109.583 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.48 ' O ' ' HG3' ' A' ' 20' ' ' ARG . 7.3 tp-100 -86.96 -53.46 4.87 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.274 -0.891 . . . . 0.0 109.411 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.725 ' CD1' HD21 ' A' ' 35' ' ' LEU . 78.9 m-85 -76.27 -25.45 54.93 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.218 -0.927 . . . . 0.0 109.907 -179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.65 -9.59 20.78 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.087 -1.008 . . . . 0.0 109.495 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.461 ' O ' ' O ' ' A' ' 20' ' ' ARG . . . -87.63 -26.74 28.99 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.967 -1.253 . . . . 0.0 109.967 -179.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.48 ' HG3' ' O ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -61.18 -144.02 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.014 -1.286 . . . . 0.0 109.3 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.471 ' O ' ' O ' ' A' ' 20' ' ' ARG . 4.0 pm0 -59.59 -116.26 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.015 -1.053 . . . . 0.0 109.248 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.462 ' C ' ' O ' ' A' ' 21' ' ' GLU . . . 40.86 -100.31 0.01 OUTLIER Glycine 0 N--CA 1.494 2.502 0 N-CA-C 109.324 -1.51 . . . . 0.0 109.324 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.573 ' O ' ' CB ' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -175.62 -78.29 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.469 -1.019 . . . . 0.0 109.184 179.49 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.573 ' CB ' ' O ' ' A' ' 23' ' ' ASP . 0.7 OUTLIER 154.49 161.75 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.589 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.473 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 6.9 t60 65.25 9.86 5.97 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.181 -0.949 . . . . 0.0 109.588 179.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.786 ' O ' HD22 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -145.29 160.69 41.12 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.062 -1.024 . . . . 0.0 109.98 -179.904 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.786 HD22 ' O ' ' A' ' 26' ' ' LYS . 0.6 OUTLIER -140.94 -161.11 1.16 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.414 -0.804 . . . . 0.0 109.058 179.922 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.24 163.37 37.84 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.189 -0.944 . . . . 0.0 109.623 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.49 ' HG3' ' HB3' ' A' ' 63' ' ' ASP . 19.4 mmtp -73.92 -27.01 60.82 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.379 -0.826 . . . . 0.0 109.429 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.59 -43.38 20.68 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.303 -0.873 . . . . 0.0 109.459 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.507 ' O ' ' HB2' ' A' ' 35' ' ' LEU . 2.5 tt0 -73.72 -25.07 60.02 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.236 -0.915 . . . . 0.0 108.592 179.586 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.485 ' O ' HG13 ' A' ' 36' ' ' ILE . 34.1 tp -77.65 -47.6 18.86 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 179.431 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.56 ' HB2' HD22 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -57.97 -43.08 86.29 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 179.16 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.583 ' HG3' ' N ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -71.57 -31.69 67.25 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 179.599 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.882 HD12 HD22 ' B' ' 3' ' ' LEU . 0.1 OUTLIER -58.31 -37.12 74.44 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.586 -0.696 . . . . 0.0 109.282 179.447 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.599 HG21 HG21 ' A' ' 80' ' ' VAL . 0.8 OUTLIER -80.32 -57.1 5.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.354 -0.841 . . . . 0.0 110.489 -179.369 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.536 ' O ' ' CB ' ' A' ' 41' ' ' SER . 35.5 t-20 -66.22 -63.03 1.17 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.245 -0.91 . . . . 0.0 110.548 -178.681 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.537 ' CB ' ' OE1' ' A' ' 34' ' ' GLU . 1.4 t-20 -49.48 -55.73 12.24 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.931 -1.106 . . . . 0.0 110.791 -178.581 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.629 ' HG3' HD13 ' A' ' 35' ' ' LEU . 6.4 mm-40 -70.64 -75.27 0.12 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.058 -1.026 . . . . 0.0 111.232 -178.54 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.696 ' HG ' HD23 ' B' ' 3' ' ' LEU . 10.3 mt -61.41 -98.23 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.313 0 O-C-N 120.944 -1.097 . . . . 0.0 110.288 -178.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.536 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 15.3 t 40.81 41.0 1.08 Allowed 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.142 -0.973 . . . . 0.0 109.79 -179.598 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -113.16 -21.68 10.89 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.157 -0.964 . . . . 0.0 109.658 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -129.31 30.82 4.93 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.212 -0.93 . . . . 0.0 109.452 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.665 HD21 HG12 ' A' ' 47' ' ' ILE . 0.7 OUTLIER -105.47 116.31 31.72 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.242 -0.912 . . . . 0.0 109.545 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.586 ' N ' HD13 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -143.5 -59.1 0.41 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.239 -0.913 . . . . 0.0 109.729 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.471 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 26.1 mt-10 -109.61 -23.1 11.64 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.256 -0.903 . . . . 0.0 109.539 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.665 HG12 HD21 ' A' ' 44' ' ' LEU . 72.3 mt 62.85 136.96 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.256 -0.903 . . . . 0.0 109.582 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.493 ' HB2' ' HA ' ' A' ' 85' ' ' HIS . 13.3 tttm -109.71 -66.56 1.05 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.318 -0.863 . . . . 0.0 109.049 179.541 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.74 ' OE1' HG23 ' A' ' 52' ' ' VAL . 11.0 mm-40 -67.56 86.19 0.19 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.34 -0.85 . . . . 0.0 109.044 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.535 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 14.9 tt0 -63.22 -25.24 68.24 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.237 -0.914 . . . . 0.0 109.487 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.46 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -80.47 -33.37 36.71 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.278 -0.889 . . . . 0.0 109.919 -179.849 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.75 ' O ' HG22 ' A' ' 56' ' ' VAL . 60.8 t -72.53 -47.37 51.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.249 -0.907 . . . . 0.0 109.807 -179.715 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.427 ' O ' ' CB ' ' A' ' 57' ' ' MET . 59.8 t -75.6 -26.26 18.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.162 -0.962 . . . . 0.0 109.236 -179.747 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.535 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 33.0 t70 -80.92 -24.97 37.84 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.403 -0.811 . . . . 0.0 109.371 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.569 ' HG3' ' N ' ' A' ' 56' ' ' VAL . 0.1 OUTLIER -77.55 -39.83 44.57 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 120.875 -1.14 . . . . 0.0 109.254 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.75 HG22 ' O ' ' A' ' 52' ' ' VAL . 2.9 m -81.04 -34.63 13.8 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 O-C-N 121.205 -0.935 . . . . 0.0 108.721 179.428 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.427 ' CB ' ' O ' ' A' ' 53' ' ' VAL . 2.3 ttm -75.3 -25.96 58.32 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 179.55 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.482 ' CG ' ' O ' ' A' ' 54' ' ' ASP . 72.2 mt-10 -80.08 -50.09 10.84 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.207 -0.933 . . . . 0.0 108.545 179.079 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.0 m -63.71 -29.55 70.76 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 178.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.56 HD22 ' HB2' ' A' ' 33' ' ' LYS . 9.8 mt -67.42 -56.29 10.24 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 179.439 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.49 -0.51 37.73 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.448 -0.783 . . . . 0.0 109.748 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.482 ' HB2' ' O ' ' A' ' 58' ' ' GLU . 74.4 tt0 -79.97 -37.4 34.45 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.163 -0.961 . . . . 0.0 109.674 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.49 ' HB3' ' HG3' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -106.42 -67.77 0.92 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.344 -0.848 . . . . 0.0 109.469 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.43 ' CA ' ' HB2' ' A' ' 29' ' ' LYS . . . 85.7 -54.74 4.82 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.679 -1.368 . . . . 0.0 109.679 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -100.26 23.21 10.38 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.164 -1.198 . . . . 0.0 109.625 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -95.69 161.7 23.0 Favored Glycine 0 N--CA 1.488 2.133 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -104.1 148.22 26.52 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.23 -1.159 . . . . 0.0 109.439 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.447 ' SG ' ' HD3' ' A' ' 29' ' ' LYS . 3.4 m -117.53 173.42 6.73 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.232 -0.918 . . . . 0.0 109.574 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -108.4 -177.91 3.45 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.261 -0.899 . . . . 0.0 109.129 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.615 ' CE2' ' HG3' ' A' ' 71' ' ' GLN . 36.5 p90 -79.96 -33.06 39.85 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.004 -1.06 . . . . 0.0 109.368 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.615 ' HG3' ' CE2' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -79.02 -23.85 44.07 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.073 -1.017 . . . . 0.0 108.603 179.073 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -77.1 -54.9 5.95 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.449 -0.782 . . . . 0.0 108.898 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.662 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -62.72 -25.9 68.41 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.211 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.56 ' SD ' HD22 ' A' ' 10' ' ' LEU . 6.2 mmm -71.42 -52.01 20.84 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.579 -0.7 . . . . 0.0 109.44 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.494 ' O ' ' HG3' ' A' ' 79' ' ' MET . . . -68.39 -20.82 64.71 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.188 -0.945 . . . . 0.0 109.072 179.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.728 ' O ' HG22 ' A' ' 80' ' ' VAL . 0.7 OUTLIER -74.92 -35.31 62.21 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.51 -0.744 . . . . 0.0 109.316 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.966 HG12 ' HE2' ' B' ' 7' ' ' MET . 87.6 t -73.1 -26.06 22.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.383 -0.823 . . . . 0.0 109.805 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.6 m -78.67 -41.47 31.13 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.183 -0.948 . . . . 0.0 110.572 -179.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.601 ' HB3' HG13 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -61.73 -42.25 98.71 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.088 -1.007 . . . . 0.0 110.247 -179.318 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.745 HG13 HG21 ' A' ' 56' ' ' VAL . 3.2 m -79.92 -38.52 18.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.093 -1.004 . . . . 0.0 110.932 -179.093 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.756 HG21 ' HG3' ' B' ' 7' ' ' MET . 45.3 m -66.88 -6.83 17.98 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.858 -1.151 . . . . 0.0 109.892 -179.555 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.448 ' HB ' ' HG2' ' B' ' 71' ' ' GLN . 2.4 p -111.1 -26.73 9.07 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.045 -1.035 . . . . 0.0 109.727 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.442 ' O ' ' O ' ' A' ' 84' ' ' CYS . . . -54.17 -91.41 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.273 -0.892 . . . . 0.0 109.518 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.479 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 3.8 m 44.81 -168.97 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.216 -0.927 . . . . 0.0 109.7 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.493 ' HA ' ' HB2' ' A' ' 48' ' ' LYS . 1.0 OUTLIER -129.3 -45.49 1.23 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.176 -0.953 . . . . 0.0 109.454 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.453 ' O ' ' CB ' ' A' ' 87' ' ' PHE . 55.2 mt-10 -90.3 34.47 0.87 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.307 -0.871 . . . . 0.0 109.187 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.511 ' CE1' ' CZ ' ' A' ' 88' ' ' PHE . 0.4 OUTLIER 72.69 -146.68 0.05 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.232 -0.917 . . . . 0.0 109.18 -179.834 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.868 ' CD2' HG23 ' B' ' 11' ' ' ILE . 18.0 m-85 -65.92 -77.92 0.06 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.257 -0.902 . . . . 0.0 109.614 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -108.58 -72.42 0.72 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.187 -0.946 . . . . 0.0 109.419 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.479 ' CG ' ' N ' ' A' ' 91' ' ' GLU . 42.2 p-80 -152.87 -39.48 0.1 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.227 -0.921 . . . . 0.0 109.431 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.479 ' N ' ' CG ' ' A' ' 90' ' ' HIS . 2.9 tt0 . . . . . 0 N--CA 1.49 1.551 0 CA-C-O 118.024 -0.988 . . . . 0.0 109.465 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . 0.506 ' SD ' ' N ' ' B' ' 0' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 1.2 t -136.42 162.75 32.19 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.079 -1.013 . . . . 0.0 109.726 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.75 ' HB3' HG22 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -73.45 -56.95 4.37 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.301 -0.874 . . . . 0.0 109.481 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.882 HD22 HD12 ' A' ' 35' ' ' LEU . 9.0 tp -61.76 -38.14 86.9 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.368 -0.832 . . . . 0.0 109.716 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.545 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 1.2 tt0 -62.37 -53.65 51.93 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.146 -0.971 . . . . 0.0 110.229 -179.287 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.43 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 5.9 mttm -62.07 -36.58 82.09 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.904 -1.123 . . . . 0.0 110.645 -179.132 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.528 ' HB1' ' HB3' ' A' ' 9' ' ' ALA . . . -80.26 -70.44 0.52 Allowed 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.984 -1.072 . . . . 0.0 110.43 -179.168 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . 0.966 ' HE2' HG12 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -46.08 -53.77 9.69 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.373 -0.829 . . . . 0.0 109.875 -179.282 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.533 HG23 ' O ' ' B' ' 4' ' ' GLU . 32.3 t -56.88 -36.59 50.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 C-N-CA 119.568 -0.853 . . . . 0.0 109.151 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.52 ' HB3' ' HB1' ' A' ' 6' ' ' ALA . . . -52.22 -43.04 64.05 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 179.088 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.564 HD22 ' SD ' ' B' ' 74' ' ' MET . 0.2 OUTLIER -51.79 -51.75 54.1 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.069 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.868 HG23 ' CD2' ' A' ' 88' ' ' PHE . 1.6 mp -49.62 -40.05 14.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 179.124 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -50.56 -51.06 51.59 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.379 -0.825 . . . . 0.0 109.177 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.761 HG22 ' HB3' ' A' ' 2' ' ' GLU . 44.0 t -55.03 -35.06 33.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.405 -0.809 . . . . 0.0 109.463 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.669 ' CE1' HD23 ' B' ' 27' ' ' LEU . 19.0 t80 -63.34 -37.86 88.89 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.17 -0.956 . . . . 0.0 109.68 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . 0.442 ' O ' ' HA3' ' B' ' 19' ' ' GLY . 20.5 t-80 -75.62 -12.38 60.2 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.128 -0.982 . . . . 0.0 109.54 -179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.483 ' O ' ' HG3' ' B' ' 20' ' ' ARG . 7.2 tp-100 -86.98 -53.5 4.85 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.27 -0.894 . . . . 0.0 109.43 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.713 ' CD1' HD21 ' B' ' 35' ' ' LEU . 78.8 m-85 -76.36 -25.24 54.46 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.205 -0.934 . . . . 0.0 109.882 -179.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.79 -9.6 20.65 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.104 -0.997 . . . . 0.0 109.447 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . 0.449 ' O ' ' O ' ' B' ' 20' ' ' ARG . . . -87.53 -26.84 28.96 Favored Glycine 0 N--CA 1.489 2.216 0 N-CA-C 109.996 -1.241 . . . . 0.0 109.996 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.483 ' HG3' ' O ' ' B' ' 16' ' ' GLN . 0.0 OUTLIER -61.19 -144.0 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.071 -1.252 . . . . 0.0 109.298 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.475 ' O ' ' O ' ' B' ' 20' ' ' ARG . 3.9 pm0 -59.64 -116.29 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.977 -1.077 . . . . 0.0 109.267 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . 0.467 ' C ' ' O ' ' B' ' 21' ' ' GLU . . . 40.94 -100.29 0.01 OUTLIER Glycine 0 N--CA 1.492 2.415 0 N-CA-C 109.278 -1.529 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.553 ' O ' ' CB ' ' B' ' 24' ' ' LYS . 0.2 OUTLIER -175.7 -78.13 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.417 -1.049 . . . . 0.0 109.198 179.442 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.553 ' CB ' ' O ' ' B' ' 23' ' ' ASP . 0.7 OUTLIER 154.42 161.66 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 179.619 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . 0.475 ' CD2' ' O ' ' B' ' 25' ' ' HIS . 6.9 t60 65.28 9.9 6.03 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.152 -0.967 . . . . 0.0 109.623 179.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.785 ' O ' HD22 ' B' ' 27' ' ' LEU . 0.0 OUTLIER -145.31 160.66 41.18 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.029 -1.044 . . . . 0.0 109.945 -179.879 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.785 HD22 ' O ' ' B' ' 26' ' ' LYS . 0.6 OUTLIER -140.96 -161.05 1.15 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.468 -0.77 . . . . 0.0 109.07 179.887 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.34 163.3 38.12 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.165 -0.96 . . . . 0.0 109.582 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.495 ' HG3' ' HB3' ' B' ' 63' ' ' ASP . 19.4 mmtp -73.72 -27.16 61.05 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.24 -0.912 . . . . 0.0 109.453 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.65 -43.26 20.72 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.308 -0.87 . . . . 0.0 109.489 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.509 ' O ' ' HB2' ' B' ' 35' ' ' LEU . 2.5 tt0 -73.8 -24.97 59.89 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.205 -0.934 . . . . 0.0 108.548 179.552 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.487 ' O ' HG13 ' B' ' 36' ' ' ILE . 33.9 tp -77.74 -47.57 18.74 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 179.472 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.561 ' HB2' HD22 ' B' ' 60' ' ' LEU . 0.1 OUTLIER -58.05 -43.1 86.7 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 179.248 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.568 ' HG3' ' N ' ' B' ' 35' ' ' LEU . 0.1 OUTLIER -71.56 -31.72 67.31 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.672 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.871 HD12 HD22 ' A' ' 3' ' ' LEU . 0.1 OUTLIER -58.21 -37.12 74.2 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.552 -0.717 . . . . 0.0 109.333 179.377 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.599 HG21 HG21 ' B' ' 80' ' ' VAL . 0.8 OUTLIER -80.49 -56.99 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.33 -0.856 . . . . 0.0 110.455 -179.297 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.528 ' O ' ' CB ' ' B' ' 41' ' ' SER . 35.4 t-20 -66.24 -63.02 1.17 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.346 -0.846 . . . . 0.0 110.587 -178.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.526 ' CB ' ' OE1' ' B' ' 34' ' ' GLU . 1.4 t-20 -49.44 -55.74 12.1 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.958 -1.088 . . . . 0.0 110.854 -178.671 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.613 ' HG3' HD13 ' B' ' 35' ' ' LEU . 6.4 mm-40 -70.69 -75.26 0.12 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.003 -1.061 . . . . 0.0 111.16 -178.501 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.709 ' HG ' HD23 ' A' ' 3' ' ' LEU . 10.4 mt -61.45 -98.29 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.353 0 O-C-N 120.991 -1.068 . . . . 0.0 110.232 -178.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.528 ' CB ' ' O ' ' B' ' 37' ' ' ASN . 15.3 t 40.88 41.05 1.12 Allowed 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.229 -0.919 . . . . 0.0 109.708 -179.633 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -113.23 -21.72 10.84 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.089 -1.007 . . . . 0.0 109.55 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -129.26 30.93 4.93 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.244 -0.91 . . . . 0.0 109.416 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.664 HD21 HG12 ' B' ' 47' ' ' ILE . 0.7 OUTLIER -105.54 116.44 31.95 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.216 -0.927 . . . . 0.0 109.537 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.599 ' N ' HD13 ' B' ' 44' ' ' LEU . 0.1 OUTLIER -143.59 -59.17 0.41 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.235 -0.916 . . . . 0.0 109.675 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.475 ' O ' ' HB ' ' B' ' 47' ' ' ILE . 25.9 mt-10 -109.58 -23.1 11.65 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.263 -0.898 . . . . 0.0 109.482 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.664 HG12 HD21 ' B' ' 44' ' ' LEU . 71.8 mt 62.91 137.04 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.284 -0.885 . . . . 0.0 109.585 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.505 ' HB2' ' HA ' ' B' ' 85' ' ' HIS . 13.2 tttm -109.78 -66.66 1.05 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.288 -0.882 . . . . 0.0 109.007 179.571 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.746 ' OE1' HG23 ' B' ' 52' ' ' VAL . 11.1 mm-40 -67.48 86.18 0.18 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.281 -0.887 . . . . 0.0 109.092 179.567 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . 0.527 ' O ' ' CB ' ' B' ' 54' ' ' ASP . 14.9 tt0 -63.3 -25.23 68.22 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.221 -0.924 . . . . 0.0 109.414 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.463 ' O ' ' HG2' ' B' ' 55' ' ' LYS . 0.6 OUTLIER -80.49 -33.44 36.55 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.225 -0.922 . . . . 0.0 109.858 -179.827 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.746 HG23 ' OE1' ' B' ' 49' ' ' GLU . 60.8 t -72.5 -47.37 51.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.223 -0.923 . . . . 0.0 109.841 -179.672 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.434 ' O ' ' CB ' ' B' ' 57' ' ' MET . 59.0 t -75.44 -26.43 18.45 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.143 -0.973 . . . . 0.0 109.273 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . 0.527 ' CB ' ' O ' ' B' ' 50' ' ' GLN . 32.9 t70 -80.88 -24.85 38.02 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.342 -0.849 . . . . 0.0 109.44 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.562 ' HG3' ' N ' ' B' ' 56' ' ' VAL . 0.1 OUTLIER -77.6 -39.81 44.23 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.896 -1.127 . . . . 0.0 109.306 179.853 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.769 HG21 HG13 ' B' ' 80' ' ' VAL . 2.9 m -81.02 -34.67 13.84 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.321 0 O-C-N 121.034 -1.041 . . . . 0.0 108.702 179.422 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.434 ' CB ' ' O ' ' B' ' 53' ' ' VAL . 2.3 ttm -75.22 -26.05 58.64 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 179.484 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . 0.485 ' O ' ' HB2' ' B' ' 62' ' ' GLU . 72.4 mt-10 -80.06 -49.99 10.98 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.2 -0.938 . . . . 0.0 108.549 179.111 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 3.1 m -63.8 -29.65 70.83 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 178.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.561 HD22 ' HB2' ' B' ' 33' ' ' LYS . 9.8 mt -67.29 -56.27 10.46 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 179.439 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.51 -0.47 37.65 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.564 -0.71 . . . . 0.0 109.825 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.485 ' HB2' ' O ' ' B' ' 58' ' ' GLU . 74.4 tt0 -80.0 -37.41 34.27 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.146 -0.972 . . . . 0.0 109.583 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.495 ' HB3' ' HG3' ' B' ' 29' ' ' LYS . 0.2 OUTLIER -106.46 -67.76 0.92 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.27 -0.894 . . . . 0.0 109.461 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . 0.422 ' CA ' ' HB2' ' B' ' 29' ' ' LYS . . . 85.65 -54.75 4.83 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.757 -1.337 . . . . 0.0 109.757 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -100.16 23.13 10.4 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.097 -1.237 . . . . 0.0 109.615 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -95.66 161.75 23.04 Favored Glycine 0 N--CA 1.487 2.049 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -104.14 148.25 26.49 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.329 -1.101 . . . . 0.0 109.468 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.453 ' SG ' ' HD3' ' B' ' 29' ' ' LYS . 3.3 m -117.5 173.47 6.69 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.163 -0.96 . . . . 0.0 109.583 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -108.43 -177.96 3.47 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.336 -0.853 . . . . 0.0 109.198 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.612 ' CE2' ' HG3' ' B' ' 71' ' ' GLN . 36.7 p90 -79.89 -33.0 40.3 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.026 -1.046 . . . . 0.0 109.479 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.612 ' HG3' ' CE2' ' B' ' 70' ' ' PHE . 0.1 OUTLIER -79.03 -23.95 43.96 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.113 -0.992 . . . . 0.0 108.547 179.09 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -77.0 -54.82 6.07 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.401 -0.812 . . . . 0.0 108.881 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.659 ' O ' HG23 ' B' ' 77' ' ' VAL . 0.0 OUTLIER -62.81 -25.9 68.48 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.279 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.564 ' SD ' HD22 ' B' ' 10' ' ' LEU . 6.2 mmm -71.45 -51.95 21.08 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.58 -0.7 . . . . 0.0 109.435 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.495 ' O ' ' HG3' ' B' ' 79' ' ' MET . . . -68.42 -20.82 64.68 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.136 -0.977 . . . . 0.0 109.091 179.725 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.715 ' O ' HG22 ' B' ' 80' ' ' VAL . 0.7 OUTLIER -74.93 -35.3 62.18 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.383 -0.823 . . . . 0.0 109.352 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 1.045 HG12 ' HE2' ' A' ' 7' ' ' MET . 88.1 t -73.04 -26.14 22.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.38 -0.825 . . . . 0.0 109.832 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 50.8 m -78.51 -41.54 32.09 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.23 -0.919 . . . . 0.0 110.678 -179.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . 0.609 ' HB3' HG13 ' B' ' 52' ' ' VAL . 0.0 OUTLIER -61.7 -42.3 98.76 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.02 -1.05 . . . . 0.0 110.249 -179.267 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.769 HG13 HG21 ' B' ' 56' ' ' VAL . 3.2 m -79.97 -38.47 18.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.086 -1.009 . . . . 0.0 110.876 -178.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.78 HG21 ' HG3' ' A' ' 7' ' ' MET . 46.0 m -66.98 -6.76 18.14 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.88 -1.138 . . . . 0.0 109.808 -179.524 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.435 ' HB ' ' HG2' ' A' ' 71' ' ' GLN . 2.4 p -111.14 -26.79 9.02 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.086 -1.009 . . . . 0.0 109.679 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.447 ' O ' ' O ' ' B' ' 84' ' ' CYS . . . -54.11 -91.34 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.189 -0.944 . . . . 0.0 109.563 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . 0.47 ' O ' ' HB2' ' B' ' 48' ' ' LYS . 3.8 m 44.81 -169.0 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.246 -0.909 . . . . 0.0 109.665 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . 0.505 ' HA ' ' HB2' ' B' ' 48' ' ' LYS . 1.0 OUTLIER -129.25 -45.56 1.23 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.264 -0.897 . . . . 0.0 109.36 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . 0.471 ' O ' ' CB ' ' B' ' 87' ' ' PHE . 55.1 mt-10 -90.24 34.35 0.87 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.271 -0.893 . . . . 0.0 109.163 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . 0.521 ' CE1' ' CZ ' ' B' ' 88' ' ' PHE . 0.4 OUTLIER 72.74 -146.73 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.194 -0.941 . . . . 0.0 109.202 -179.795 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.859 ' CD2' HG23 ' A' ' 11' ' ' ILE . 17.9 m-85 -65.8 -78.01 0.06 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.164 -0.96 . . . . 0.0 109.611 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -108.58 -72.47 0.72 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.199 -0.938 . . . . 0.0 109.432 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . 0.484 ' CG ' ' N ' ' B' ' 91' ' ' GLU . 42.1 p-80 -152.75 -39.38 0.1 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.273 -0.892 . . . . 0.0 109.516 179.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.484 ' N ' ' CG ' ' B' ' 90' ' ' HIS . 2.9 tt0 . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 118.013 -0.994 . . . . 0.0 109.425 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.466 ' HB2' ' OE1' ' B' ' 39' ' ' GLU . 28.9 p -129.85 -177.27 4.21 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.326 -0.859 . . . . 0.0 109.618 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.909 ' HB2' HG22 ' B' ' 13' ' ' VAL . 30.3 mm-40 -80.42 -41.01 25.3 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.309 -0.869 . . . . 0.0 109.925 -179.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.85 HD22 HD12 ' B' ' 35' ' ' LEU . 7.3 tp -69.93 -39.81 75.88 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.295 -0.878 . . . . 0.0 110.71 -179.116 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.683 ' O ' HG23 ' A' ' 8' ' ' VAL . 37.4 mt-10 -73.26 -65.74 0.77 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.954 -1.091 . . . . 0.0 110.667 -178.629 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.4 -34.03 56.15 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 120.789 -1.194 . . . . 0.0 110.125 -179.065 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.618 ' CB ' ' HB3' ' B' ' 9' ' ' ALA . . . -81.34 -68.73 0.67 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.149 -0.97 . . . . 0.0 110.883 -179.366 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.815 ' HE2' HG12 ' B' ' 77' ' ' VAL . 1.6 tpt -52.19 -53.15 46.87 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.176 -0.952 . . . . 0.0 109.822 -178.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 4' ' ' GLU . 8.6 t -54.28 -31.09 21.76 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 O-C-N 121.49 -0.756 . . . . 0.0 109.313 -179.731 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.617 ' HB3' ' HB1' ' B' ' 6' ' ' ALA . . . -66.92 -42.94 84.53 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.078 -1.014 . . . . 0.0 109.192 179.533 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.668 HD21 HG11 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -50.81 -49.66 58.03 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.259 -0.901 . . . . 0.0 108.642 179.303 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.984 HG23 ' CE1' ' B' ' 88' ' ' PHE . 1.7 mt -49.39 -41.29 15.13 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.073 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -52.09 -52.91 48.33 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 179.447 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.92 HG22 ' HB2' ' B' ' 2' ' ' GLU . 96.9 t -45.84 -41.39 3.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.319 -0.863 . . . . 0.0 109.133 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.831 ' CD2' HD12 ' A' ' 27' ' ' LEU . 39.7 t80 -66.09 -41.8 90.18 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.277 -0.889 . . . . 0.0 109.244 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.433 ' O ' ' CG ' ' A' ' 15' ' ' HIS . 30.6 t-80 -86.91 10.72 15.34 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.327 -0.858 . . . . 0.0 109.181 179.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -107.12 -45.26 4.17 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.333 -0.855 . . . . 0.0 109.553 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.628 ' CG ' HD21 ' A' ' 35' ' ' LEU . 20.1 m-85 -82.57 -30.26 29.73 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.191 -0.943 . . . . 0.0 109.57 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.5 t -85.29 3.61 38.83 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.165 -0.959 . . . . 0.0 109.57 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -94.05 -60.02 1.15 Allowed Glycine 0 N--CA 1.488 2.146 0 N-CA-C 109.621 -1.392 . . . . 0.0 109.621 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.63 -19.78 17.93 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.252 -1.146 . . . . 0.0 109.491 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -71.33 -165.29 0.13 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.192 -0.943 . . . . 0.0 109.292 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.79 -38.21 8.89 Favored Glycine 0 N--CA 1.488 2.157 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.58 -173.75 3.93 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.384 -1.068 . . . . 0.0 109.383 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.432 ' HG2' ' O ' ' A' ' 24' ' ' LYS . 43.0 tttt -154.51 17.61 0.47 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.127 -0.983 . . . . 0.0 109.709 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.682 ' CD2' ' CD2' ' B' ' 87' ' ' PHE . 0.1 OUTLIER -155.66 15.19 0.37 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.068 -1.02 . . . . 0.0 110.227 -179.641 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.31 132.02 14.97 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.97 -1.081 . . . . 0.0 109.513 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.831 HD12 ' CD2' ' A' ' 14' ' ' PHE . 0.4 OUTLIER -91.37 -159.22 0.62 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.168 -0.958 . . . . 0.0 109.274 179.727 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.46 ' HA ' ' HA ' ' A' ' 67' ' ' GLU . 12.0 mtmt -145.75 157.93 43.9 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.113 -0.992 . . . . 0.0 109.5 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.483 ' HE2' ' HB2' ' A' ' 63' ' ' ASP . 1.9 mtpp -71.8 -26.99 62.63 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.218 -0.926 . . . . 0.0 109.377 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.0 t -80.14 -36.31 35.39 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.259 -0.901 . . . . 0.0 109.297 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.513 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 1.3 tt0 -82.06 -18.0 44.7 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 179.192 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.525 ' O ' HG13 ' A' ' 36' ' ' ILE . 14.2 tp -80.87 -43.91 19.18 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 178.45 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.685 ' HB2' HD22 ' A' ' 60' ' ' LEU . 16.5 ttpp -56.86 -38.54 72.86 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 179.044 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.557 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 7.3 pt-20 -77.74 -39.68 43.58 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 179.695 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.846 HD12 HD22 ' B' ' 3' ' ' LEU . 0.1 OUTLIER -48.8 -46.81 42.27 Favored 'General case' 0 C--N 1.296 -1.745 0 O-C-N 121.577 -0.702 . . . . 0.0 109.3 179.776 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.785 HG22 HD22 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -81.4 -54.55 9.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.389 -0.819 . . . . 0.0 110.837 -179.356 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -71.88 2.41 5.57 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.223 -0.923 . . . . 0.0 111.449 -178.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.557 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 1.2 t30 -111.34 -50.38 2.94 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.805 -1.185 . . . . 0.0 109.496 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.508 ' O ' ' HB3' ' B' ' 3' ' ' LEU . 0.0 OUTLIER -140.94 41.41 1.82 Allowed 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.233 -0.917 . . . . 0.0 109.611 179.907 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.859 ' HA ' HD23 ' B' ' 3' ' ' LEU . 0.5 OUTLIER -61.1 -78.11 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.097 -1.002 . . . . 0.0 108.659 179.53 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.609 ' HB3' HG22 ' B' ' 8' ' ' VAL . 1.6 p -162.65 44.03 0.13 Allowed 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.305 -0.872 . . . . 0.0 108.76 179.61 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 49.12 23.74 0.81 Allowed 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.347 -0.846 . . . . 0.0 109.115 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.551 ' O ' HD12 ' A' ' 44' ' ' LEU . 11.2 m-85 -110.88 102.91 11.38 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.496 -0.753 . . . . 0.0 109.434 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.551 HD12 ' O ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -176.78 90.76 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.279 -0.888 . . . . 0.0 109.521 -179.807 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.506 ' HG3' ' N ' ' A' ' 46' ' ' GLU . 3.8 pt-20 -176.81 -32.99 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.202 -0.936 . . . . 0.0 109.553 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.506 ' N ' ' HG3' ' A' ' 45' ' ' GLU . 14.7 mt-10 -103.56 -59.83 1.66 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.28 -0.888 . . . . 0.0 109.554 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.457 ' HB ' ' O ' ' A' ' 46' ' ' GLU . 24.1 mt 67.26 109.93 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.376 -0.828 . . . . 0.0 109.522 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.27 -42.53 5.24 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.369 -0.832 . . . . 0.0 109.225 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.632 ' OE1' HG23 ' A' ' 52' ' ' VAL . 10.7 mm-40 -88.87 73.55 8.37 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.24 -0.913 . . . . 0.0 109.313 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.53 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 29.4 tt0 -55.99 -22.58 27.65 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.351 -0.843 . . . . 0.0 109.421 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -79.12 -42.8 25.42 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.173 -0.954 . . . . 0.0 109.599 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.632 HG23 ' OE1' ' A' ' 49' ' ' GLU . 51.1 t -61.23 -60.98 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.291 -0.881 . . . . 0.0 109.391 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.543 ' O ' ' CB ' ' A' ' 57' ' ' MET . 71.6 t -62.32 -28.07 43.88 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 O-C-N 121.35 -0.844 . . . . 0.0 109.64 -179.552 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.53 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 10.9 t0 -72.37 -24.96 61.34 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.921 -1.112 . . . . 0.0 108.952 179.549 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.668 ' CD ' ' HE3' ' A' ' 79' ' ' MET . 0.2 OUTLIER -80.82 -56.79 3.89 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.392 -0.818 . . . . 0.0 109.941 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.594 HG23 ' N ' ' A' ' 57' ' ' MET . 33.7 m -65.89 -48.19 82.85 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.36 0 O-C-N 120.961 -1.087 . . . . 0.0 108.838 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.594 ' N ' HG23 ' A' ' 56' ' ' VAL . 0.2 OUTLIER -60.01 -23.2 63.48 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.393 -0.817 . . . . 0.0 108.882 179.226 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.474 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 1.8 mt-10 -68.17 -54.33 18.66 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.272 -0.892 . . . . 0.0 109.253 179.662 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.68 -29.91 70.39 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.474 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.685 HD22 ' HB2' ' A' ' 33' ' ' LYS . 8.9 mt -62.44 -51.47 67.36 Favored 'General case' 0 C--N 1.302 -1.46 0 CA-C-O 121.514 0.673 . . . . 0.0 109.248 179.47 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.85 -4.51 52.53 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.465 -0.772 . . . . 0.0 109.562 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -71.33 -67.42 0.52 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.158 -0.964 . . . . 0.0 109.625 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.483 ' HB2' ' HE2' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -87.91 -48.21 7.98 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.347 -0.845 . . . . 0.0 109.562 -179.822 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.4 -52.61 4.51 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.581 -1.408 . . . . 0.0 109.581 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -123.05 78.69 1.58 Allowed 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.188 -1.183 . . . . 0.0 109.505 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.454 ' HA3' ' HD2' ' A' ' 29' ' ' LYS . . . -129.44 -161.33 10.51 Favored Glycine 0 N--CA 1.486 2.01 0 N-CA-C 109.486 -1.446 . . . . 0.0 109.486 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.46 ' HA ' ' HA ' ' A' ' 28' ' ' LYS . 24.0 mt-10 -120.99 132.68 55.06 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.25 -1.147 . . . . 0.0 109.458 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 97.6 m -104.64 179.32 4.3 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.256 -0.902 . . . . 0.0 108.93 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -134.08 154.7 51.01 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.061 -1.025 . . . . 0.0 109.53 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 1.132 ' CE2' HG23 ' B' ' 82' ' ' THR . 0.1 OUTLIER -47.84 -26.04 1.51 Allowed 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.316 -0.865 . . . . 0.0 110.441 -179.808 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 1.031 ' HG2' HG21 ' B' ' 82' ' ' THR . 0.8 OUTLIER -79.52 -52.38 8.1 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.094 -1.004 . . . . 0.0 109.452 179.566 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.57 ' OE2' ' CE1' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -57.85 -56.98 14.96 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.308 -0.87 . . . . 0.0 109.836 -179.683 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.547 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -56.06 -18.15 8.87 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.122 -0.986 . . . . 0.0 108.967 179.773 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.634 ' HA ' ' HE3' ' A' ' 74' ' ' MET . 0.7 OUTLIER -79.35 -60.05 2.52 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.126 -0.984 . . . . 0.0 109.917 -179.779 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.487 ' O ' ' HG3' ' A' ' 79' ' ' MET . . . -66.0 -17.19 64.52 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.606 -0.684 . . . . 0.0 109.326 -179.575 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.656 ' O ' HG22 ' A' ' 80' ' ' VAL . 2.2 m-85 -81.17 -33.57 32.96 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.472 -0.767 . . . . 0.0 109.842 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.894 HG12 ' HE2' ' B' ' 7' ' ' MET . 53.7 t -75.11 -29.37 21.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.182 -0.949 . . . . 0.0 109.952 -179.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.562 ' HA ' ' CE ' ' B' ' 7' ' ' MET . 2.4 p -78.69 -34.47 46.09 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.187 -0.946 . . . . 0.0 110.043 -179.495 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.668 ' HE3' ' CD ' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -65.23 -42.95 92.89 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.182 -0.949 . . . . 0.0 110.24 -179.54 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.737 HG21 HG21 ' A' ' 36' ' ' ILE . 6.3 m -80.91 -38.76 17.23 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.128 -0.982 . . . . 0.0 111.254 -178.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.76 HG21 ' HG3' ' B' ' 7' ' ' MET . 30.4 m -62.92 -11.74 20.55 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.869 -1.145 . . . . 0.0 109.738 -179.364 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 1.132 HG23 ' CE2' ' B' ' 70' ' ' PHE . 1.3 m -111.3 -26.74 8.99 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.254 -0.904 . . . . 0.0 109.306 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.5 ' CB ' HG23 ' A' ' 53' ' ' VAL . . . -68.61 -49.61 57.91 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.061 -1.024 . . . . 0.0 110.748 -179.309 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.475 ' SG ' ' HB3' ' A' ' 43' ' ' PHE . 4.6 t -40.37 -72.81 0.06 Allowed 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.178 -0.951 . . . . 0.0 110.802 -178.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.5 ' H ' ' CD2' ' A' ' 85' ' ' HIS . 0.5 OUTLIER -92.1 165.03 13.37 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.027 -1.046 . . . . 0.0 110.186 -179.038 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.7 tm-20 -77.57 -32.49 53.8 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.327 -0.858 . . . . 0.0 109.257 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.673 ' CD2' ' CD2' ' B' ' 25' ' ' HIS . 0.1 OUTLIER -153.74 -81.27 0.09 Allowed 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.162 -0.961 . . . . 0.0 110.022 179.888 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.985 ' CE1' HG23 ' B' ' 11' ' ' ILE . 35.1 m-85 -146.81 89.22 1.8 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.042 -1.036 . . . . 0.0 109.169 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.421 ' HG2' ' HB2' ' A' ' 85' ' ' HIS . 5.9 mm-40 -77.29 3.39 13.08 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.233 -0.917 . . . . 0.0 109.579 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -59.32 -25.81 64.48 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.264 -0.897 . . . . 0.0 109.44 179.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 N--CA 1.491 1.576 0 CA-C-O 117.972 -1.013 . . . . 0.0 109.433 -179.934 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . 0.452 ' HB2' ' OE1' ' A' ' 39' ' ' GLU . 28.7 p -129.87 -177.36 4.25 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.174 -0.954 . . . . 0.0 109.572 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.92 ' HB2' HG22 ' A' ' 13' ' ' VAL . 30.2 mm-40 -80.39 -41.02 25.38 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.306 -0.871 . . . . 0.0 109.901 -179.696 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.859 HD23 ' HA ' ' A' ' 40' ' ' LEU . 7.3 tp -69.98 -39.73 75.76 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.339 -0.85 . . . . 0.0 110.701 -179.07 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.678 ' O ' HG23 ' B' ' 8' ' ' VAL . 37.1 mt-10 -73.24 -65.74 0.77 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.911 -1.118 . . . . 0.0 110.736 -178.713 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.4 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 0.0 OUTLIER -53.43 -34.04 56.32 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 120.705 -1.247 . . . . 0.0 109.993 -179.039 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.617 ' HB1' ' HB3' ' A' ' 9' ' ' ALA . . . -81.36 -68.83 0.66 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.081 -1.012 . . . . 0.0 110.828 -179.297 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . 0.894 ' HE2' HG12 ' A' ' 77' ' ' VAL . 1.6 tpt -52.11 -53.28 44.46 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.224 -0.923 . . . . 0.0 109.74 -178.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.678 HG23 ' O ' ' B' ' 4' ' ' GLU . 8.5 t -54.21 -31.05 21.43 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.622 0 O-C-N 121.45 -0.781 . . . . 0.0 109.389 -179.702 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.618 ' HB3' ' CB ' ' A' ' 6' ' ' ALA . . . -66.95 -42.98 84.31 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.031 -1.043 . . . . 0.0 109.147 179.523 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.662 HD21 HG11 ' B' ' 77' ' ' VAL . 0.2 OUTLIER -50.8 -49.57 58.2 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.248 -0.907 . . . . 0.0 108.567 179.336 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.985 HG23 ' CE1' ' A' ' 88' ' ' PHE . 1.7 mt -49.43 -41.33 15.33 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 179.104 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -52.05 -52.86 48.28 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.473 -0.767 . . . . 0.0 108.962 179.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.909 HG22 ' HB2' ' A' ' 2' ' ' GLU . 95.3 t -45.81 -41.48 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.357 -0.84 . . . . 0.0 109.128 179.633 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.833 ' CD2' HD12 ' B' ' 27' ' ' LEU . 39.4 t80 -65.98 -41.9 90.52 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.243 -0.911 . . . . 0.0 109.302 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . 0.424 ' CG ' ' O ' ' B' ' 15' ' ' HIS . 30.6 t-80 -86.81 10.6 15.5 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.195 -0.941 . . . . 0.0 109.285 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -107.01 -45.27 4.2 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.388 -0.82 . . . . 0.0 109.637 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.62 ' CG ' HD21 ' B' ' 35' ' ' LEU . 19.9 m-85 -82.58 -30.35 29.65 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.248 -0.907 . . . . 0.0 109.515 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 5.4 t -85.16 3.55 38.6 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.185 -0.947 . . . . 0.0 109.582 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -94.11 -59.94 1.15 Allowed Glycine 0 N--CA 1.488 2.146 0 N-CA-C 109.641 -1.384 . . . . 0.0 109.641 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.61 -19.73 17.59 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.138 -1.213 . . . . 0.0 109.588 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -71.32 -165.3 0.13 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.255 -0.903 . . . . 0.0 109.339 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.8 -38.21 8.88 Favored Glycine 0 N--CA 1.489 2.189 0 N-CA-C 109.396 -1.482 . . . . 0.0 109.396 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.59 -173.73 3.92 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.404 -1.056 . . . . 0.0 109.39 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.43 ' HG2' ' O ' ' B' ' 24' ' ' LYS . 42.8 tttt -154.55 17.68 0.46 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.242 -0.911 . . . . 0.0 109.694 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . 0.673 ' CD2' ' CD2' ' A' ' 87' ' ' PHE . 0.1 OUTLIER -155.77 15.31 0.36 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.188 -0.945 . . . . 0.0 110.257 -179.632 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.4 132.09 14.94 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.012 -1.055 . . . . 0.0 109.513 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.833 HD12 ' CD2' ' B' ' 14' ' ' PHE . 0.4 OUTLIER -91.41 -159.09 0.61 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.292 -0.88 . . . . 0.0 109.257 179.72 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.468 ' HA ' ' HA ' ' B' ' 67' ' ' GLU . 12.2 mtmt -145.8 157.97 43.89 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.088 -1.007 . . . . 0.0 109.601 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.475 ' HE2' ' HB2' ' B' ' 63' ' ' ASP . 1.9 mtpp -71.71 -27.09 62.79 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.262 -0.899 . . . . 0.0 109.387 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 8.0 t -80.12 -36.22 35.61 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.296 -0.878 . . . . 0.0 109.373 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.519 ' O ' ' HG2' ' B' ' 34' ' ' GLU . 1.3 tp10 -82.16 -18.02 44.25 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 179.22 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.521 ' O ' HG13 ' B' ' 36' ' ' ILE . 14.2 tp -80.9 -43.91 19.12 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 178.439 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.691 ' HB2' HD22 ' B' ' 60' ' ' LEU . 16.6 ttpp -56.93 -38.62 73.16 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 179.098 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.556 ' O ' ' CB ' ' B' ' 38' ' ' ASN . 7.4 pt-20 -77.63 -39.72 44.3 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 179.69 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.85 HD12 HD22 ' A' ' 3' ' ' LEU . 0.1 OUTLIER -48.86 -46.7 42.71 Favored 'General case' 0 C--N 1.296 -1.744 0 O-C-N 121.642 -0.661 . . . . 0.0 109.314 179.763 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.799 HG22 HD22 ' B' ' 40' ' ' LEU . 0.2 OUTLIER -81.48 -54.48 9.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.419 -0.8 . . . . 0.0 110.823 -179.294 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -72.05 2.42 5.76 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.209 -0.932 . . . . 0.0 111.476 -178.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.556 ' CB ' ' O ' ' B' ' 34' ' ' GLU . 1.2 t30 -111.3 -50.42 2.94 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.827 -1.171 . . . . 0.0 109.537 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.508 ' O ' ' HG3' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -140.91 41.5 1.82 Allowed 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.217 -0.927 . . . . 0.0 109.652 179.857 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.831 ' HA ' HD23 ' A' ' 3' ' ' LEU . 0.5 OUTLIER -61.16 -78.23 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.138 -0.976 . . . . 0.0 108.625 179.494 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.63 ' HB3' HG22 ' A' ' 8' ' ' VAL . 1.6 p -162.57 43.97 0.13 Allowed 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.337 -0.852 . . . . 0.0 108.832 179.608 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 49.14 23.76 0.83 Allowed 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.483 -0.761 . . . . 0.0 109.075 -179.677 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . 0.544 ' O ' HD12 ' B' ' 44' ' ' LEU . 11.4 m-85 -110.79 102.86 11.36 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.397 -0.815 . . . . 0.0 109.457 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.544 HD12 ' O ' ' B' ' 43' ' ' PHE . 0.1 OUTLIER -176.8 90.68 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.339 -0.85 . . . . 0.0 109.533 -179.842 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.508 ' HG3' ' N ' ' B' ' 46' ' ' GLU . 3.8 pt-20 -176.76 -32.79 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.154 -0.966 . . . . 0.0 109.637 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.508 ' N ' ' HG3' ' B' ' 45' ' ' GLU . 14.7 mt-10 -103.76 -59.75 1.68 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.182 -0.949 . . . . 0.0 109.486 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.452 ' HB ' ' O ' ' B' ' 46' ' ' GLU . 24.3 mt 67.24 110.06 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.365 -0.834 . . . . 0.0 109.501 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.42 -42.43 5.24 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.235 -0.915 . . . . 0.0 109.231 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.636 ' OE1' HG23 ' B' ' 52' ' ' VAL . 10.6 mm-40 -88.94 73.68 8.3 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.34 -0.85 . . . . 0.0 109.252 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . 0.524 ' O ' ' CB ' ' B' ' 54' ' ' ASP . 29.4 tt0 -56.01 -22.63 28.12 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.34 -0.85 . . . . 0.0 109.381 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -79.16 -42.73 25.47 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.167 -0.958 . . . . 0.0 109.587 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.636 HG23 ' OE1' ' B' ' 49' ' ' GLU . 50.8 t -61.35 -60.94 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.17 -0.956 . . . . 0.0 109.418 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.54 ' O ' ' CB ' ' B' ' 57' ' ' MET . 72.7 t -62.21 -28.08 43.82 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 O-C-N 121.246 -0.909 . . . . 0.0 109.695 -179.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . 0.524 ' CB ' ' O ' ' B' ' 50' ' ' GLN . 10.8 t0 -72.42 -24.92 61.3 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 120.937 -1.102 . . . . 0.0 108.88 179.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.665 ' CD ' ' HE3' ' B' ' 79' ' ' MET . 0.2 OUTLIER -80.93 -56.79 3.88 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.39 -0.819 . . . . 0.0 109.899 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.592 HG23 ' N ' ' B' ' 57' ' ' MET . 33.6 m -66.0 -48.04 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.363 0 O-C-N 120.951 -1.093 . . . . 0.0 108.829 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.592 ' N ' HG23 ' B' ' 56' ' ' VAL . 0.2 OUTLIER -60.21 -23.05 63.71 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.403 -0.811 . . . . 0.0 108.88 179.289 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . 0.465 ' HB2' ' O ' ' B' ' 54' ' ' ASP . 1.8 mt-10 -68.22 -54.26 19.02 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.287 -0.883 . . . . 0.0 109.252 179.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.84 -29.84 70.44 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.461 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.691 HD22 ' HB2' ' B' ' 33' ' ' LYS . 9.0 mt -62.35 -51.51 67.32 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-O 121.584 0.707 . . . . 0.0 109.289 179.397 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.89 -4.48 52.51 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.527 -0.733 . . . . 0.0 109.538 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -71.33 -67.4 0.52 Allowed 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.259 -0.901 . . . . 0.0 109.653 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.475 ' HB2' ' HE2' ' B' ' 29' ' ' LYS . 0.2 OUTLIER -87.95 -48.12 8.03 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.415 -0.803 . . . . 0.0 109.666 -179.873 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.34 -52.65 4.52 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -123.08 78.61 1.58 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.255 -1.144 . . . . 0.0 109.519 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.444 ' HA3' ' HD2' ' B' ' 29' ' ' LYS . . . -129.33 -161.28 10.51 Favored Glycine 0 N--CA 1.487 2.064 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.468 ' HA ' ' HA ' ' B' ' 28' ' ' LYS . 24.0 mt-10 -121.02 132.75 55.09 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.2 -1.176 . . . . 0.0 109.504 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 98.4 m -104.75 179.31 4.31 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.262 -0.899 . . . . 0.0 108.78 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -134.09 154.6 51.08 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.016 -1.052 . . . . 0.0 109.613 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 1.132 ' CE2' HG23 ' A' ' 82' ' ' THR . 0.1 OUTLIER -47.62 -26.15 1.39 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.382 -0.824 . . . . 0.0 110.447 -179.874 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 1.062 ' HG2' HG21 ' A' ' 82' ' ' THR . 0.8 OUTLIER -79.58 -52.44 8.0 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.083 -1.011 . . . . 0.0 109.457 179.636 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.571 ' OE2' ' CE1' ' B' ' 76' ' ' PHE . 0.2 OUTLIER -57.83 -56.99 14.89 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.286 -0.884 . . . . 0.0 109.766 -179.661 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.544 ' O ' HG23 ' B' ' 77' ' ' VAL . 0.2 OUTLIER -56.05 -18.09 8.68 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.106 -0.996 . . . . 0.0 108.933 179.798 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.698 ' HE3' ' HA ' ' B' ' 74' ' ' MET . 0.7 OUTLIER -79.43 -60.18 2.46 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.203 -0.935 . . . . 0.0 109.883 -179.808 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.486 ' O ' ' HG3' ' B' ' 79' ' ' MET . . . -65.92 -17.0 64.37 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.505 -0.747 . . . . 0.0 109.294 -179.499 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.656 ' O ' HG22 ' B' ' 80' ' ' VAL . 2.2 m-85 -81.38 -33.53 32.26 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.488 -0.758 . . . . 0.0 109.808 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.815 HG12 ' HE2' ' A' ' 7' ' ' MET . 53.2 t -75.24 -29.34 21.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.165 -0.959 . . . . 0.0 109.831 -179.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . 0.555 ' HA ' ' CE ' ' A' ' 7' ' ' MET . 2.4 p -78.64 -34.39 46.52 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.144 -0.973 . . . . 0.0 110.155 -179.614 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . 0.665 ' HE3' ' CD ' ' B' ' 55' ' ' LYS . 0.2 OUTLIER -65.44 -42.86 91.97 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.077 -1.014 . . . . 0.0 110.27 -179.525 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.739 HG21 HG21 ' B' ' 36' ' ' ILE . 6.3 m -80.89 -38.69 17.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.109 -0.994 . . . . 0.0 111.295 -178.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.759 HG21 ' HG3' ' A' ' 7' ' ' MET . 29.9 m -62.91 -11.65 19.94 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.852 -1.155 . . . . 0.0 109.751 -179.464 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 1.132 HG23 ' CE2' ' A' ' 70' ' ' PHE . 1.3 m -111.35 -26.85 8.91 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.223 -0.923 . . . . 0.0 109.324 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.494 ' CB ' HG23 ' B' ' 53' ' ' VAL . . . -68.49 -49.6 58.56 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.176 -0.952 . . . . 0.0 110.779 -179.314 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . 0.476 ' SG ' ' HB3' ' B' ' 43' ' ' PHE . 4.6 t -40.41 -72.71 0.06 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.191 -0.943 . . . . 0.0 110.901 -178.702 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . 0.509 ' H ' ' CD2' ' B' ' 85' ' ' HIS . 0.5 OUTLIER -92.15 165.0 13.37 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.135 -0.978 . . . . 0.0 110.155 -179.035 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 13.6 tm-20 -77.45 -32.54 54.57 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.189 -0.944 . . . . 0.0 109.285 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . 0.682 ' CD2' ' CD2' ' A' ' 25' ' ' HIS . 0.1 OUTLIER -153.81 -81.21 0.09 Allowed 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.221 -0.925 . . . . 0.0 109.999 179.928 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.984 ' CE1' HG23 ' A' ' 11' ' ' ILE . 35.2 m-85 -146.84 89.12 1.79 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.027 -1.046 . . . . 0.0 109.152 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.425 ' HG2' ' HB2' ' B' ' 85' ' ' HIS . 6.0 mm-40 -77.24 3.41 12.94 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.279 -0.888 . . . . 0.0 109.628 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -59.34 -25.74 64.45 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.143 -0.973 . . . . 0.0 109.382 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 118.071 -0.966 . . . . 0.0 109.46 -179.912 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 1.1 mtm . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.443 ' OG ' ' HB3' ' A' ' 4' ' ' GLU . 78.1 p -157.24 -174.15 4.77 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.31 -0.869 . . . . 0.0 109.541 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.926 ' HB3' HG22 ' B' ' 13' ' ' VAL . 2.7 tp10 -79.81 -38.82 32.15 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.307 -0.871 . . . . 0.0 109.667 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.879 HD22 ' CD1' ' B' ' 35' ' ' LEU . 11.2 tp -79.54 -50.57 10.52 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.284 -0.885 . . . . 0.0 109.788 -179.65 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.872 ' HA ' HD23 ' B' ' 40' ' ' LEU . 6.0 tm-20 -54.56 -30.99 55.78 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.246 -0.909 . . . . 0.0 110.226 -179.347 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.582 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 3.2 mttt -81.0 -49.48 10.88 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.734 -1.229 . . . . 0.0 110.204 -179.471 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.619 ' HB2' ' HB3' ' B' ' 9' ' ' ALA . . . -71.8 -63.3 1.16 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.183 -0.948 . . . . 0.0 110.27 -179.185 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 1.005 ' HG3' HG21 ' B' ' 81' ' ' THR . 7.3 tpt -47.97 -53.75 15.06 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.283 -0.886 . . . . 0.0 109.943 -179.427 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.549 ' CG2' ' O ' ' A' ' 4' ' ' GLU . 18.2 t -64.78 -28.69 45.38 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.518 0 O-C-N 121.471 -0.768 . . . . 0.0 109.583 -179.421 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.633 ' HB3' ' HB2' ' B' ' 6' ' ' ALA . . . -66.43 -33.0 74.72 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.191 -0.943 . . . . 0.0 108.983 179.42 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 1.011 HD13 ' CE ' ' A' ' 74' ' ' MET . 0.4 OUTLIER -60.66 -50.37 73.79 Favored 'General case' 0 N--CA 1.486 1.375 0 O-C-N 121.245 -0.909 . . . . 0.0 108.614 179.446 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 1.01 HG23 ' CE1' ' B' ' 88' ' ' PHE . 10.3 mt -49.97 -27.79 3.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 179.026 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -66.96 -48.09 69.62 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.641 -0.662 . . . . 0.0 109.358 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.945 HG22 ' HB3' ' B' ' 2' ' ' GLU . 47.9 t -47.13 -45.19 8.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.319 -0.863 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.407 ' CE1' ' HD1' ' A' ' 70' ' ' PHE . 1.2 t80 -55.33 -54.4 44.07 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.211 -0.931 . . . . 0.0 109.554 -179.758 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -59.61 -21.08 59.89 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.165 -0.959 . . . . 0.0 108.977 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -79.68 -30.01 40.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.51 -0.744 . . . . 0.0 109.402 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.545 ' CE2' HD21 ' A' ' 35' ' ' LEU . 73.5 m-85 -106.56 -80.23 0.56 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.288 -0.883 . . . . 0.0 109.675 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 17' ' ' TYR . 0.2 OUTLIER -43.83 -32.81 1.15 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.252 -0.905 . . . . 0.0 109.698 -179.849 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.41 46.44 3.2 Favored Glycine 0 N--CA 1.488 2.147 0 N-CA-C 109.973 -1.251 . . . . 0.0 109.973 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.448 ' O ' ' CD ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -153.93 19.82 0.51 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.098 -1.236 . . . . 0.0 109.601 179.703 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -137.6 -69.36 0.45 Allowed 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.222 -0.924 . . . . 0.0 109.549 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -157.83 -91.03 0.08 OUTLIER Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.6 -1.4 . . . . 0.0 109.6 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -53.58 168.97 0.15 Allowed 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.274 -1.133 . . . . 0.0 109.484 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.02 40.18 3.24 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.2 -0.938 . . . . 0.0 109.598 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 -165.52 23.43 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.211 -0.93 . . . . 0.0 109.718 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.411 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 14.1 ptpt -150.59 151.53 32.72 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.14 -0.975 . . . . 0.0 109.623 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.75 -154.24 0.51 Allowed 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.239 -0.913 . . . . 0.0 109.202 179.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' A' ' 66' ' ' GLY . 3.9 mtmt -143.29 131.1 21.47 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.354 -0.841 . . . . 0.0 109.176 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.538 ' O ' ' CD2' ' A' ' 60' ' ' LEU . 0.6 OUTLIER -49.77 -27.27 4.71 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.182 -0.948 . . . . 0.0 109.472 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.401 ' OG ' ' O ' ' A' ' 64' ' ' GLY . 0.3 OUTLIER -68.1 -42.84 79.7 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.226 -0.921 . . . . 0.0 109.7 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.405 ' O ' ' HG3' ' A' ' 34' ' ' GLU . 30.8 tt0 -74.01 -23.08 59.38 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 179.517 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.833 HD13 ' HD2' ' A' ' 73' ' ' PHE . 8.2 tp -74.57 -34.46 62.9 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 178.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.91 ' HG3' HD13 ' A' ' 60' ' ' LEU . 54.9 tttt -60.51 -46.39 90.32 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 178.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.553 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 0.0 OUTLIER -71.74 -30.33 65.5 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.165 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.918 ' CD1' HD22 ' B' ' 3' ' ' LEU . 0.2 OUTLIER -56.83 -40.54 76.21 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 108.739 -0.838 . . . . 0.0 108.739 179.316 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.74 HD13 HG21 ' A' ' 80' ' ' VAL . 0.3 OUTLIER -81.75 -61.21 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.325 -0.859 . . . . 0.0 110.256 179.889 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -66.26 -3.22 5.39 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.449 -0.782 . . . . 0.0 111.522 -178.099 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.553 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 4.6 t30 -118.14 -75.68 0.58 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.698 -1.251 . . . . 0.0 109.622 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.532 ' HB3' ' HB3' ' B' ' 3' ' ' LEU . 6.5 mm-40 -47.95 -59.67 3.18 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.979 -1.075 . . . . 0.0 108.861 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.959 HD11 ' HG2' ' B' ' 7' ' ' MET . 10.0 mt -70.07 -98.94 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.2 -0.938 . . . . 0.0 108.604 179.287 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.4 t 68.11 2.34 3.16 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.986 -1.071 . . . . 0.0 110.552 179.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.503 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 2.6 t-80 -62.26 -18.13 60.36 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.858 -1.151 . . . . 0.0 108.733 179.751 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.532 ' O ' ' CB ' ' A' ' 44' ' ' LEU . 1.3 m-85 -128.18 -141.55 0.26 Allowed 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.532 ' CB ' ' O ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER 77.55 49.59 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.047 -1.033 . . . . 0.0 109.821 179.55 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.549 ' N ' ' OE1' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -106.98 -60.6 1.65 Allowed 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 178.685 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.485 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 2.4 mt-10 -113.28 27.72 9.36 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 106.736 -1.579 . . . . 0.0 106.736 177.376 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.485 ' HB ' ' O ' ' A' ' 46' ' ' GLU . 1.0 OUTLIER 66.69 143.65 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 -179.028 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.761 ' HB2' ' HB3' ' A' ' 83' ' ' ALA . 4.1 mttt -77.51 -74.16 0.27 Allowed 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.344 -0.848 . . . . 0.0 109.308 -179.207 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.93 ' HB2' ' HB1' ' A' ' 83' ' ' ALA . 0.0 OUTLIER -122.54 106.97 11.48 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.048 -1.032 . . . . 0.0 108.823 179.276 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.522 ' O ' ' HB2' ' A' ' 54' ' ' ASP . 4.3 tm0? -46.64 -32.72 3.69 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.04 -1.037 . . . . 0.0 109.075 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.473 ' HB2' ' OE2' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -82.25 -63.82 1.3 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.412 -0.805 . . . . 0.0 110.782 -179.689 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.457 HG23 ' HG3' ' A' ' 49' ' ' GLU . 5.6 t -53.83 -60.37 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 120.959 -1.088 . . . . 0.0 108.881 -179.542 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 49.8 t -54.45 -25.47 14.28 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.599 0 O-C-N 121.615 -0.678 . . . . 0.0 109.908 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.522 ' HB2' ' O ' ' A' ' 50' ' ' GLN . 1.6 m-20 -69.17 -38.88 78.93 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.93 -1.106 . . . . 0.0 109.894 -179.682 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.86 -49.01 61.94 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.17 -0.956 . . . . 0.0 111.277 -178.419 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.652 HG21 ' CG1' ' A' ' 80' ' ' VAL . 34.3 m -72.05 -45.82 61.74 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 O-C-N 120.763 -1.211 . . . . 0.0 109.257 -179.322 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.593 ' N ' HG23 ' A' ' 56' ' ' VAL . 39.7 tpp -65.06 -24.83 67.58 Favored 'General case' 0 C--N 1.295 -1.783 0 O-C-N 121.606 -0.684 . . . . 0.0 109.236 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.512 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 9.8 mt-10 -75.76 -55.81 5.28 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.072 -1.017 . . . . 0.0 109.275 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.02 -28.02 67.38 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.043 -1.036 . . . . 0.0 108.372 179.733 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.91 HD13 ' HG3' ' A' ' 33' ' ' LYS . 12.0 mt -66.7 -55.58 14.46 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 179.631 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.14 -0.62 36.75 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.492 -0.755 . . . . 0.0 109.59 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.491 ' HB2' ' O ' ' A' ' 58' ' ' GLU . 5.5 tt0 -77.43 -39.84 45.49 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.133 -0.979 . . . . 0.0 109.69 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.38 -47.19 0.51 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.199 -0.938 . . . . 0.0 109.777 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.401 ' O ' ' OG ' ' A' ' 30' ' ' SER . . . 58.84 14.18 22.03 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.695 -1.362 . . . . 0.0 109.695 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -134.31 10.3 3.79 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.063 -1.257 . . . . 0.0 109.422 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.474 ' O ' ' HG2' ' A' ' 28' ' ' LYS . . . -89.74 157.46 26.42 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.756 -1.337 . . . . 0.0 109.756 -179.702 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -89.9 134.39 34.23 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.319 -1.107 . . . . 0.0 109.484 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.8 178.92 4.27 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.223 -0.923 . . . . 0.0 109.395 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -118.15 176.68 5.11 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.251 -0.906 . . . . 0.0 109.233 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.474 ' O ' ' HB2' ' A' ' 74' ' ' MET . 6.7 t80 -70.68 -40.69 72.78 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.135 -0.978 . . . . 0.0 109.204 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.534 HE21 HG23 ' B' ' 82' ' ' THR . 0.1 OUTLIER -71.59 -27.5 63.18 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.376 -0.828 . . . . 0.0 109.712 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.65 -61.24 1.94 Allowed 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.117 -0.989 . . . . 0.0 108.803 179.695 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.833 ' HD2' HD13 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -53.19 -25.0 12.25 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.387 -0.821 . . . . 0.0 109.158 179.467 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 1.011 ' CE ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -76.46 -57.02 4.1 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.967 -1.083 . . . . 0.0 109.566 -179.77 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.488 ' O ' ' HG2' ' A' ' 79' ' ' MET . . . -63.97 -13.02 42.93 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.391 -0.818 . . . . 0.0 108.971 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.619 ' HB3' HD21 ' A' ' 32' ' ' LEU . 0.9 OUTLIER -81.37 -48.86 11.39 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.428 -0.795 . . . . 0.0 109.612 179.549 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.782 HG12 ' SD ' ' B' ' 7' ' ' MET . 78.7 t -64.93 -26.89 41.13 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.343 -0.848 . . . . 0.0 109.994 -179.567 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 1.002 ' O ' HG22 ' A' ' 82' ' ' THR . 1.4 m -73.36 -54.45 8.3 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.18 -0.95 . . . . 0.0 110.447 -179.318 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.537 ' SD ' ' CG1' ' A' ' 56' ' ' VAL . 7.8 ptp -52.04 -40.38 61.0 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.151 -0.968 . . . . 0.0 110.737 -178.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.74 HG21 HD13 ' A' ' 36' ' ' ILE . 3.3 m -73.56 -40.61 55.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 120.68 -1.262 . . . . 0.0 110.005 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.966 HG21 ' HG3' ' B' ' 7' ' ' MET . 11.0 m -67.24 -16.35 64.24 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.989 -1.069 . . . . 0.0 109.247 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 1.002 HG22 ' O ' ' A' ' 78' ' ' SER . 2.2 t -132.07 26.53 4.57 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.305 -0.872 . . . . 0.0 109.134 179.716 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.93 ' HB1' ' HB2' ' A' ' 49' ' ' GLU . . . -52.33 -20.98 3.08 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.399 -0.813 . . . . 0.0 109.282 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.533 ' O ' ' CB ' ' A' ' 85' ' ' HIS . 10.5 m 81.99 -167.64 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.111 0 CA-C-O 121.71 0.767 . . . . 0.0 111.024 179.151 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.549 ' HB3' ' O ' ' A' ' 48' ' ' LYS . 1.1 t-80 81.02 79.72 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.691 -0.631 . . . . 0.0 109.445 -179.616 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 60.15 102.99 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.332 -0.855 . . . . 0.0 109.461 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.64 ' CE2' ' CD1' ' A' ' 88' ' ' PHE . 0.5 OUTLIER -161.5 -159.93 0.67 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.301 -0.874 . . . . 0.0 109.249 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.985 ' CE1' HG23 ' B' ' 11' ' ' ILE . 4.2 m-30 48.4 32.56 3.34 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.208 -0.932 . . . . 0.0 109.98 179.576 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.447 ' O ' ' CD2' ' A' ' 90' ' ' HIS . 0.3 OUTLIER -126.36 -37.62 2.19 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.062 -1.024 . . . . 0.0 109.244 179.613 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.575 ' O ' ' CG ' ' A' ' 90' ' ' HIS . 0.0 OUTLIER 57.65 14.75 2.53 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.345 -0.847 . . . . 0.0 109.835 179.623 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 . . . . . 0 C--N 1.303 -1.442 0 CA-C-O 117.923 -1.037 . . . . 0.0 109.521 -179.975 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 1.1 mtm . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . 0.444 ' OG ' ' HB3' ' B' ' 4' ' ' GLU . 78.0 p -157.29 -174.16 4.77 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.235 -0.916 . . . . 0.0 109.602 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.945 ' HB3' HG22 ' A' ' 13' ' ' VAL . 2.6 tp10 -79.84 -38.8 32.04 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.319 -0.863 . . . . 0.0 109.668 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.918 HD22 ' CD1' ' A' ' 35' ' ' LEU . 11.1 tp -79.53 -50.65 10.41 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.345 -0.847 . . . . 0.0 109.754 -179.702 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.837 ' HA ' HD23 ' A' ' 40' ' ' LEU . 6.0 tm-20 -54.48 -30.97 54.84 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.19 -0.944 . . . . 0.0 110.188 -179.325 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.582 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 3.2 mttt -81.0 -49.54 10.8 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.762 -1.212 . . . . 0.0 110.26 -179.53 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.633 ' HB2' ' HB3' ' A' ' 9' ' ' ALA . . . -71.72 -63.26 1.16 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.135 -0.978 . . . . 0.0 110.342 -179.235 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . 0.966 ' HG3' HG21 ' A' ' 81' ' ' THR . 7.3 tpt -48.13 -53.76 15.58 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.378 -0.826 . . . . 0.0 109.88 -179.427 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.543 ' CG2' ' O ' ' B' ' 4' ' ' GLU . 18.1 t -64.68 -28.74 45.53 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.567 0 O-C-N 121.322 -0.861 . . . . 0.0 109.563 -179.405 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.619 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . . . -66.45 -33.07 74.88 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.137 -0.977 . . . . 0.0 108.927 179.445 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 1.006 HD13 ' HE1' ' B' ' 74' ' ' MET . 0.4 OUTLIER -60.69 -50.22 74.36 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 179.502 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.985 HG23 ' CE1' ' A' ' 88' ' ' PHE . 10.3 mt -50.15 -27.76 4.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.055 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -66.94 -48.08 69.69 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.658 -0.651 . . . . 0.0 109.362 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.926 HG22 ' HB3' ' A' ' 2' ' ' GLU . 47.7 t -47.2 -45.17 8.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.397 -0.814 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.402 ' CE1' ' HD1' ' B' ' 70' ' ' PHE . 1.2 t80 -55.3 -54.46 43.25 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.203 -0.936 . . . . 0.0 109.499 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -59.48 -21.14 59.69 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.151 -0.968 . . . . 0.0 108.997 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -79.77 -29.88 40.56 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.476 -0.765 . . . . 0.0 109.436 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.538 ' CE2' HD21 ' B' ' 35' ' ' LEU . 73.2 m-85 -106.63 -80.23 0.56 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.313 -0.867 . . . . 0.0 109.584 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.408 ' C ' ' O ' ' B' ' 17' ' ' TYR . 0.2 OUTLIER -43.84 -32.73 1.14 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.376 -0.827 . . . . 0.0 109.684 -179.864 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.53 46.45 3.18 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.96 -1.256 . . . . 0.0 109.96 -179.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.453 ' O ' ' CD ' ' B' ' 20' ' ' ARG . 0.0 OUTLIER -154.01 19.99 0.51 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.162 -1.199 . . . . 0.0 109.589 179.67 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -137.58 -69.48 0.45 Allowed 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.275 -0.89 . . . . 0.0 109.526 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -157.65 -90.95 0.08 OUTLIER Glycine 0 N--CA 1.489 2.177 0 N-CA-C 109.678 -1.369 . . . . 0.0 109.678 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -53.68 169.04 0.15 Allowed 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.204 -1.174 . . . . 0.0 109.377 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.06 40.21 3.23 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.248 -0.907 . . . . 0.0 109.582 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 -165.52 23.39 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.238 -0.914 . . . . 0.0 109.735 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.418 ' O ' ' HG3' ' B' ' 26' ' ' LYS . 14.1 ptpt -150.57 151.53 32.73 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.093 -1.004 . . . . 0.0 109.662 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.71 -154.24 0.51 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.33 -0.856 . . . . 0.0 109.262 179.598 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.47 ' HG2' ' O ' ' B' ' 66' ' ' GLY . 3.9 mtmt -143.29 131.08 21.44 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.317 -0.864 . . . . 0.0 109.132 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.531 ' O ' ' CD2' ' B' ' 60' ' ' LEU . 0.6 OUTLIER -49.71 -27.19 4.47 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.157 -0.964 . . . . 0.0 109.499 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.459 ' OG ' ' O ' ' B' ' 64' ' ' GLY . 0.3 OUTLIER -68.31 -42.74 78.98 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.2 -0.937 . . . . 0.0 109.588 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.417 ' O ' ' HG3' ' B' ' 34' ' ' GLU . 30.8 tt0 -74.09 -23.12 59.29 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 179.532 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.833 HD13 ' HD2' ' B' ' 73' ' ' PHE . 8.2 tp -74.57 -34.44 62.9 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 178.723 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.895 ' HG3' HD13 ' B' ' 60' ' ' LEU . 54.8 tttt -60.57 -46.35 90.53 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 178.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.556 ' O ' ' CB ' ' B' ' 38' ' ' ASN . 0.0 OUTLIER -71.79 -30.31 65.4 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.181 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.879 ' CD1' HD22 ' A' ' 3' ' ' LEU . 0.2 OUTLIER -56.8 -40.62 76.28 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 179.27 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.741 HD13 HG21 ' B' ' 80' ' ' VAL . 0.4 OUTLIER -81.72 -61.22 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.314 -0.867 . . . . 0.0 110.372 179.877 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -66.14 -3.33 5.38 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.472 -0.767 . . . . 0.0 111.516 -178.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.556 ' CB ' ' O ' ' B' ' 34' ' ' GLU . 4.6 t30 -118.21 -75.66 0.58 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.713 -1.242 . . . . 0.0 109.623 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.505 ' HB3' ' HB3' ' A' ' 3' ' ' LEU . 6.5 mm-40 -47.91 -59.66 3.18 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.874 -1.141 . . . . 0.0 108.768 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.948 HD11 ' HG2' ' A' ' 7' ' ' MET . 10.0 mt -70.13 -99.02 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.194 -0.941 . . . . 0.0 108.621 179.336 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 2.4 t 68.05 2.43 3.17 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.077 -1.014 . . . . 0.0 110.534 179.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . 0.516 ' HB3' ' CE1' ' B' ' 43' ' ' PHE . 2.6 t-80 -62.23 -18.13 60.27 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.781 -1.199 . . . . 0.0 108.723 179.675 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . 0.527 ' O ' ' CB ' ' B' ' 44' ' ' LEU . 1.3 m-85 -128.2 -141.49 0.26 Allowed 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.527 ' CB ' ' O ' ' B' ' 43' ' ' PHE . 0.1 OUTLIER 77.39 49.66 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.047 -1.033 . . . . 0.0 109.937 179.589 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.538 ' N ' ' OE1' ' B' ' 45' ' ' GLU . 0.0 OUTLIER -107.03 -60.68 1.65 Allowed 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 106.961 -1.496 . . . . 0.0 106.961 178.716 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.483 ' O ' ' HB ' ' B' ' 47' ' ' ILE . 2.3 mt-10 -113.14 27.62 9.46 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 177.399 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.483 ' HB ' ' O ' ' B' ' 46' ' ' GLU . 1.0 OUTLIER 66.75 143.69 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 -179.037 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.758 ' HB2' ' HB3' ' B' ' 83' ' ' ALA . 4.1 mttt -77.46 -74.16 0.27 Allowed 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.358 -0.839 . . . . 0.0 109.309 -179.159 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.9 ' HB2' ' HB1' ' B' ' 83' ' ' ALA . 0.0 OUTLIER -122.49 106.9 11.44 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.906 -1.121 . . . . 0.0 108.861 179.252 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . 0.526 ' O ' ' HB2' ' B' ' 54' ' ' ASP . 4.3 tm0? -46.64 -32.78 3.73 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 120.953 -1.092 . . . . 0.0 109.019 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.48 ' HB2' ' OE2' ' B' ' 49' ' ' GLU . 0.1 OUTLIER -82.13 -63.86 1.3 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.353 -0.842 . . . . 0.0 110.847 -179.72 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.452 HG23 ' HG3' ' B' ' 49' ' ' GLU . 5.7 t -53.93 -60.31 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 O-C-N 120.792 -1.192 . . . . 0.0 108.825 -179.526 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 49.7 t -54.46 -25.4 14.18 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.603 0 O-C-N 121.681 -0.637 . . . . 0.0 109.99 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . 0.526 ' HB2' ' O ' ' B' ' 50' ' ' GLN . 1.7 m-20 -69.21 -38.83 78.78 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.986 -1.071 . . . . 0.0 109.945 -179.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.88 -49.1 61.11 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.134 -0.979 . . . . 0.0 111.275 -178.517 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.647 HG21 ' CG1' ' B' ' 80' ' ' VAL . 34.2 m -71.82 -45.96 63.09 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.406 0 O-C-N 120.603 -1.311 . . . . 0.0 109.29 -179.372 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.608 ' N ' HG23 ' B' ' 56' ' ' VAL . 39.7 tpp -65.16 -24.72 67.47 Favored 'General case' 0 C--N 1.296 -1.759 0 O-C-N 121.52 -0.738 . . . . 0.0 109.292 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . 0.506 ' HB2' ' O ' ' B' ' 54' ' ' ASP . 9.8 mt-10 -75.66 -55.95 5.16 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.093 -1.004 . . . . 0.0 109.274 179.581 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.92 -28.14 67.35 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.121 -0.987 . . . . 0.0 108.383 179.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.895 HD13 ' HG3' ' B' ' 33' ' ' LYS . 12.0 mt -66.65 -55.69 14.08 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 179.697 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.0 -0.54 35.83 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.492 -0.755 . . . . 0.0 109.72 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.492 ' HB2' ' O ' ' B' ' 58' ' ' GLU . 5.5 tt0 -77.46 -39.89 45.06 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.106 -0.996 . . . . 0.0 109.64 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.32 -47.26 0.52 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.277 -0.89 . . . . 0.0 109.786 -179.751 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . 0.459 ' O ' ' OG ' ' B' ' 30' ' ' SER . . . 58.88 14.26 22.62 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.679 -1.369 . . . . 0.0 109.679 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -134.36 10.25 3.77 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.084 -1.245 . . . . 0.0 109.424 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.47 ' O ' ' HG2' ' B' ' 28' ' ' LYS . . . -89.64 157.41 26.48 Favored Glycine 0 N--CA 1.489 2.224 0 N-CA-C 109.801 -1.32 . . . . 0.0 109.801 -179.697 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -89.92 134.41 34.23 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.292 -1.122 . . . . 0.0 109.426 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.83 178.93 4.27 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.277 -0.889 . . . . 0.0 109.406 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.407 ' H ' ' HB2' ' B' ' 72' ' ' GLU . 3.4 m-20 -118.2 176.6 5.15 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.273 -0.892 . . . . 0.0 109.305 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.48 ' O ' ' HB2' ' B' ' 74' ' ' MET . 6.8 t80 -70.51 -40.69 73.36 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.293 -0.88 . . . . 0.0 109.221 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.546 HE21 HG23 ' A' ' 82' ' ' THR . 0.1 OUTLIER -71.65 -27.5 63.11 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.272 -0.893 . . . . 0.0 109.728 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.407 ' HB2' ' H ' ' B' ' 69' ' ' ASP . 0.4 OUTLIER -74.67 -61.3 1.92 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.171 -0.956 . . . . 0.0 108.716 179.704 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.833 ' HD2' HD13 ' B' ' 32' ' ' LEU . 0.0 OUTLIER -53.18 -25.02 12.21 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.403 -0.811 . . . . 0.0 109.126 179.531 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 1.006 ' HE1' HD13 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -76.38 -57.07 4.08 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.938 -1.101 . . . . 0.0 109.586 -179.819 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.489 ' O ' ' HG2' ' B' ' 79' ' ' MET . . . -64.0 -13.03 43.44 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.284 -0.885 . . . . 0.0 108.949 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.634 ' HB3' HD21 ' B' ' 32' ' ' LEU . 0.9 OUTLIER -81.42 -48.84 11.38 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.397 -0.814 . . . . 0.0 109.571 179.553 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.772 HG12 ' SD ' ' A' ' 7' ' ' MET . 79.2 t -64.8 -26.96 41.37 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.345 -0.847 . . . . 0.0 109.991 -179.612 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . 1.018 ' O ' HG22 ' B' ' 82' ' ' THR . 1.4 m -73.35 -54.58 7.99 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.108 -0.995 . . . . 0.0 110.34 -179.276 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . 0.536 ' SD ' ' CG1' ' B' ' 56' ' ' VAL . 7.8 ptp -52.07 -40.35 61.07 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.042 -1.036 . . . . 0.0 110.66 -178.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.741 HG21 HD13 ' B' ' 36' ' ' ILE . 3.3 m -73.63 -40.48 54.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 120.609 -1.307 . . . . 0.0 109.981 -179.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 1.005 HG21 ' HG3' ' A' ' 7' ' ' MET . 11.2 m -67.25 -16.28 64.19 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.947 -1.096 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 1.018 HG22 ' O ' ' B' ' 78' ' ' SER . 2.2 t -132.02 26.34 4.59 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.272 -0.892 . . . . 0.0 109.133 179.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.9 ' HB1' ' HB2' ' B' ' 49' ' ' GLU . . . -52.33 -20.83 2.98 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.323 -0.861 . . . . 0.0 109.344 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . 0.539 ' CB ' ' O ' ' B' ' 83' ' ' ALA . 10.3 m 81.95 -167.53 0.02 OUTLIER 'General case' 0 N--CA 1.499 2.002 0 CA-C-O 121.625 0.726 . . . . 0.0 111.03 179.023 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . 0.532 ' HB3' ' O ' ' B' ' 48' ' ' LYS . 1.1 t-80 80.85 79.68 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.737 -0.602 . . . . 0.0 109.432 -179.615 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 60.21 103.04 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.235 -0.916 . . . . 0.0 109.409 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . 0.646 ' CE2' ' CD1' ' B' ' 88' ' ' PHE . 0.5 OUTLIER -161.52 -159.96 0.67 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.238 -0.914 . . . . 0.0 109.206 179.899 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 1.01 ' CE1' HG23 ' A' ' 11' ' ' ILE . 4.2 m-30 48.42 32.54 3.35 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.209 -0.932 . . . . 0.0 109.979 179.595 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.452 ' O ' ' CD2' ' B' ' 90' ' ' HIS . 0.3 OUTLIER -126.21 -37.74 2.2 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.149 -0.969 . . . . 0.0 109.219 179.621 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . 0.579 ' O ' ' CG ' ' B' ' 90' ' ' HIS . 0.0 OUTLIER 57.71 14.89 2.63 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.373 -0.83 . . . . 0.0 109.718 179.682 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 . . . . . 0 C--N 1.305 -1.369 0 O-C-N 121.04 -1.038 . . . . 0.0 109.586 -179.941 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . 0.452 ' H2 ' ' HD2' ' A' ' 5' ' ' LYS . 10.8 ttm . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.539 ' CB ' ' HG2' ' B' ' 39' ' ' GLU . 1.3 p -114.78 174.03 6.17 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.287 -0.883 . . . . 0.0 109.593 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.971 ' HB3' HG22 ' B' ' 13' ' ' VAL . 0.3 OUTLIER -80.13 -30.77 39.07 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.179 -0.951 . . . . 0.0 110.312 -179.404 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 1.012 HD22 HD12 ' B' ' 35' ' ' LEU . 15.9 tp -80.35 -53.23 6.81 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.126 -0.984 . . . . 0.0 110.301 -179.199 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.563 ' O ' HG23 ' A' ' 8' ' ' VAL . 2.0 tt0 -53.82 -51.36 63.8 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 120.987 -1.07 . . . . 0.0 109.991 -179.019 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.656 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 5.6 mmpt? -64.27 -34.34 77.89 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.987 -1.07 . . . . 0.0 110.446 -179.254 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.605 ' CB ' ' HB3' ' B' ' 9' ' ' ALA . . . -80.02 -72.75 0.39 Allowed 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.028 -1.045 . . . . 0.0 110.21 -179.263 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 1.024 ' HE2' HG12 ' B' ' 77' ' ' VAL . 12.3 tpp -43.61 -49.59 7.58 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.411 -0.805 . . . . 0.0 109.868 -179.551 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 4' ' ' GLU . 13.5 t -67.05 -34.58 70.71 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.641 0 O-C-N 121.449 -0.782 . . . . 0.0 109.911 -179.051 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.656 ' HB2' ' O ' ' A' ' 5' ' ' LYS . . . -57.86 -41.07 81.67 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.013 -1.054 . . . . 0.0 108.871 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.505 ' CD1' ' HA ' ' B' ' 7' ' ' MET . 0.1 OUTLIER -56.74 -53.27 59.68 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.279 -0.888 . . . . 0.0 108.779 179.317 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.662 HD12 ' H ' ' A' ' 11' ' ' ILE . 2.6 mp -50.01 -28.94 4.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.339 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -63.7 -49.66 72.23 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.506 -0.746 . . . . 0.0 109.054 179.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.946 HG22 ' HB3' ' B' ' 2' ' ' GLU . 71.3 t -49.87 -37.47 12.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.368 -0.832 . . . . 0.0 109.102 179.747 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.466 ' CD1' ' HB3' ' A' ' 18' ' ' SER . 2.4 t80 -60.39 -41.64 94.26 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.386 -0.822 . . . . 0.0 109.707 -179.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -70.05 -19.07 63.31 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.128 -0.982 . . . . 0.0 109.411 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -79.19 -54.38 6.04 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.344 -0.847 . . . . 0.0 109.609 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.558 ' CD1' HD21 ' A' ' 35' ' ' LEU . 57.7 m-85 -79.52 -54.96 5.39 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.256 -0.902 . . . . 0.0 109.419 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 24' ' ' LYS . 0.8 OUTLIER -84.87 63.75 8.23 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.362 -0.836 . . . . 0.0 109.439 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -167.89 -41.7 0.03 OUTLIER Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.39 -1.484 . . . . 0.0 109.39 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.2 ptt180 -94.38 -14.47 25.28 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.266 -1.138 . . . . 0.0 109.371 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -93.04 -159.7 0.7 Allowed 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.306 -0.871 . . . . 0.0 109.452 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.51 -61.43 4.45 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.766 -1.334 . . . . 0.0 109.766 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -57.7 -168.55 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.392 -1.064 . . . . 0.0 109.621 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.495 ' O ' ' CB ' ' A' ' 18' ' ' SER . 24.5 tttp -162.41 -74.71 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.25 -0.906 . . . . 0.0 109.283 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.546 ' O ' ' CG ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -88.02 6.87 33.92 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.086 -1.009 . . . . 0.0 109.213 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt -132.16 131.91 42.69 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.246 -0.909 . . . . 0.0 109.217 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.705 HD13 ' CD1' ' A' ' 73' ' ' PHE . 0.4 OUTLIER -94.98 -155.7 0.48 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.199 -0.938 . . . . 0.0 109.484 -179.882 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.409 ' HG2' ' O ' ' A' ' 66' ' ' GLY . 11.2 mtpt -149.64 164.09 36.13 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.292 -0.88 . . . . 0.0 109.208 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.518 ' O ' ' CD2' ' A' ' 60' ' ' LEU . 6.6 mtpp -75.66 -26.5 57.72 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.109 -0.995 . . . . 0.0 109.393 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.475 ' HB2' ' O ' ' A' ' 64' ' ' GLY . 44.6 t -80.04 -35.46 37.17 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.281 -0.887 . . . . 0.0 109.332 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.504 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 7.2 tt0 -85.48 -19.02 31.87 Favored 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.061 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.92 HD13 ' CD1' ' A' ' 73' ' ' PHE . 13.3 tp -80.38 -38.92 29.42 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 178.295 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.65 ' HB2' HD22 ' A' ' 60' ' ' LEU . 1.7 tttt -59.44 -38.25 80.21 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 179.017 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.524 ' HG3' ' N ' ' A' ' 35' ' ' LEU . 9.8 pt-20 -77.91 -40.5 39.55 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 179.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.99 HD12 HD22 ' B' ' 3' ' ' LEU . 0.1 OUTLIER -50.67 -45.78 58.28 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-O 121.299 0.571 . . . . 0.0 109.487 179.696 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.829 ' CG2' HD22 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -80.65 -53.14 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.233 -0.917 . . . . 0.0 110.161 -179.767 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -65.75 -2.05 3.35 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.384 -0.822 . . . . 0.0 111.29 -178.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.447 ' HB2' ' O ' ' A' ' 34' ' ' GLU . 32.3 t30 -109.0 -56.79 2.23 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.749 -1.22 . . . . 0.0 109.924 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.551 ' CB ' ' HB3' ' B' ' 3' ' ' LEU . 1.8 mt-10 -105.06 27.29 8.33 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.279 -0.888 . . . . 0.0 110.012 -179.683 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.829 HD22 ' CG2' ' A' ' 36' ' ' ILE . 0.4 OUTLIER -148.11 -30.97 0.29 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.142 -0.974 . . . . 0.0 110.379 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.19 -10.05 2.57 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.014 -1.054 . . . . 0.0 110.382 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 8.9 t-80 -60.1 -22.7 63.09 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.833 -1.167 . . . . 0.0 109.228 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.527 ' HB3' ' HA ' ' A' ' 85' ' ' HIS . 92.7 m-85 -95.73 -13.96 23.75 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.281 -0.887 . . . . 0.0 109.68 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.939 HD13 ' SG ' ' A' ' 84' ' ' CYS . 2.3 mm? -64.67 131.46 46.99 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.184 -0.948 . . . . 0.0 109.515 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' A' ' 43' ' ' PHE . 0.4 OUTLIER -179.68 -36.05 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.258 -0.901 . . . . 0.0 109.59 179.921 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.445 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 0.9 OUTLIER -121.1 -46.09 2.33 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.239 -0.913 . . . . 0.0 109.758 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.513 ' CG1' ' SG ' ' A' ' 84' ' ' CYS . 8.7 mt 68.4 124.28 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.185 -0.947 . . . . 0.0 109.817 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -108.7 -41.12 4.87 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.304 -0.873 . . . . 0.0 109.177 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.494 ' HB3' ' HB ' ' A' ' 52' ' ' VAL . 2.2 mm-40 -99.86 87.49 3.53 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.339 -0.85 . . . . 0.0 109.149 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.534 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 5.8 tp60 -59.97 -24.02 64.07 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.259 -0.9 . . . . 0.0 109.791 -179.626 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.442 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 25.5 mt-10 -80.22 -35.29 36.39 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.107 -0.996 . . . . 0.0 109.954 -179.782 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.639 HG11 ' O ' ' A' ' 79' ' ' MET . 69.8 t -68.39 -53.61 27.23 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.164 -0.96 . . . . 0.0 109.521 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 48.5 t -69.7 -30.71 45.87 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.249 -0.907 . . . . 0.0 109.564 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.534 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 16.2 t0 -76.74 -22.04 54.39 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.198 -0.939 . . . . 0.0 108.964 179.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.442 ' HB2' ' O ' ' A' ' 51' ' ' GLU . 5.2 mtpt -80.75 -49.97 10.47 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.242 -0.911 . . . . 0.0 109.618 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.708 HG21 ' CG1' ' A' ' 80' ' ' VAL . 33.7 m -69.62 -46.46 75.24 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.307 0 O-C-N 121.064 -1.022 . . . . 0.0 108.942 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.579 ' N ' HG23 ' A' ' 56' ' ' VAL . 23.3 tpp -63.3 -24.13 67.73 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.19 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.522 ' CG ' ' O ' ' A' ' 54' ' ' ASP . 7.9 mt-10 -74.38 -57.24 4.07 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.423 -0.798 . . . . 0.0 109.299 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.458 ' O ' ' HE2' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -60.79 -24.01 65.47 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 179.512 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.65 HD22 ' HB2' ' A' ' 33' ' ' LYS . 11.3 mt -70.29 -53.62 16.08 Favored 'General case' 0 C--N 1.302 -1.468 0 CA-C-O 121.427 0.632 . . . . 0.0 109.555 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -75.61 -10.3 59.32 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.504 -0.747 . . . . 0.0 109.87 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.04 -52.85 12.8 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.12 -0.987 . . . . 0.0 109.852 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.502 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 3.4 t70 -139.61 54.58 1.68 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.304 -0.873 . . . . 0.0 109.562 -179.676 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.475 ' O ' ' HB2' ' A' ' 30' ' ' SER . . . -40.34 -28.06 0.17 Allowed Glycine 0 N--CA 1.493 2.444 0 N-CA-C 110.017 -1.233 . . . . 0.0 110.017 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 63' ' ' ASP . 20.6 t70 -89.56 39.88 0.97 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.135 -1.215 . . . . 0.0 109.454 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.409 ' O ' ' HG2' ' A' ' 28' ' ' LYS . . . -109.37 -171.04 20.56 Favored Glycine 0 N--CA 1.488 2.109 0 N-CA-C 109.741 -1.344 . . . . 0.0 109.741 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 67' ' ' GLU . 7.6 pt-20 -124.45 137.19 54.46 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.316 -1.108 . . . . 0.0 109.59 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 95.4 m -107.92 172.45 6.82 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.33 -0.856 . . . . 0.0 109.143 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -111.16 -175.41 2.7 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.188 -0.945 . . . . 0.0 109.505 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.505 ' CD1' ' N ' ' A' ' 71' ' ' GLN . 9.1 p90 -77.03 -39.99 48.09 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.342 -0.849 . . . . 0.0 109.565 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.675 ' HA ' HG21 ' B' ' 82' ' ' THR . 0.0 OUTLIER -79.91 -26.5 40.15 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.127 -0.983 . . . . 0.0 109.515 -179.895 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.498 ' N ' ' HG3' ' A' ' 71' ' ' GLN . 1.6 mt-10 -76.66 -54.79 6.18 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.259 -0.901 . . . . 0.0 109.163 179.608 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.92 ' CD1' HD13 ' A' ' 32' ' ' LEU . 15.8 t80 -58.3 -17.87 22.93 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 179.234 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.632 ' CE ' ' HA ' ' A' ' 74' ' ' MET . 0.2 OUTLIER -79.95 -63.82 1.33 Allowed 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.507 -0.746 . . . . 0.0 109.337 179.62 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.478 ' O ' ' HG3' ' A' ' 79' ' ' MET . . . -62.28 -13.01 23.92 Favored 'General case' 0 C--N 1.295 -1.767 0 C-N-CA 119.431 -0.908 . . . . 0.0 109.409 -179.559 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.616 ' CD1' HG12 ' A' ' 56' ' ' VAL . 0.3 OUTLIER -79.17 -44.73 21.33 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.289 -0.882 . . . . 0.0 108.875 179.574 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.968 HG12 ' HE2' ' B' ' 7' ' ' MET . 74.5 t -70.2 -27.58 32.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.542 -0.724 . . . . 0.0 109.357 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.918 ' HA ' ' HE3' ' B' ' 7' ' ' MET . 45.3 m -78.74 -51.64 9.51 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.4 -0.813 . . . . 0.0 109.965 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.639 ' O ' HG11 ' A' ' 52' ' ' VAL . 1.1 mmm -46.05 -39.32 9.05 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.193 -0.942 . . . . 0.0 110.073 -179.705 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.708 ' CG1' HG21 ' A' ' 56' ' ' VAL . 35.5 m -76.86 -48.45 25.68 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.181 -0.95 . . . . 0.0 110.347 -179.251 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.714 HG21 ' HG3' ' B' ' 7' ' ' MET . 0.4 OUTLIER -64.28 -10.78 26.07 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.026 -1.046 . . . . 0.0 109.619 -179.75 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.65 HG21 ' HA ' ' B' ' 71' ' ' GLN . 0.9 OUTLIER -99.54 -37.14 9.29 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.206 -0.934 . . . . 0.0 109.0 179.709 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.407 ' HB2' HG11 ' A' ' 52' ' ' VAL . . . -74.92 -76.14 0.15 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.439 -0.788 . . . . 0.0 109.394 179.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.939 ' SG ' HD13 ' A' ' 44' ' ' LEU . 33.9 t -96.41 88.01 4.61 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.228 -0.92 . . . . 0.0 109.306 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.528 ' CG ' ' N ' ' A' ' 86' ' ' GLU . 77.6 t60 -156.18 163.13 39.97 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.155 -0.966 . . . . 0.0 109.711 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.549 ' HG3' ' CB ' ' A' ' 89' ' ' GLU . 1.0 OUTLIER -85.63 46.38 1.3 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.326 -0.859 . . . . 0.0 109.059 179.721 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.693 ' CD1' ' CZ ' ' A' ' 88' ' ' PHE . 0.3 OUTLIER -54.4 -40.92 68.69 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.349 -0.844 . . . . 0.0 109.975 -179.609 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.693 ' CZ ' ' CD1' ' A' ' 87' ' ' PHE . 4.7 m-85 -143.91 43.08 1.45 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.001 -1.062 . . . . 0.0 110.125 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.549 ' CB ' ' HG3' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -112.54 -39.33 4.38 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.03 -1.044 . . . . 0.0 109.302 179.553 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.452 ' O ' ' CB ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -171.9 39.88 0.02 OUTLIER 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.409 -0.807 . . . . 0.0 109.37 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.452 ' CB ' ' O ' ' A' ' 90' ' ' HIS . 1.9 tt0 . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 117.953 -1.022 . . . . 0.0 109.494 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 10.8 ttm . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . 0.547 ' CB ' ' HG2' ' A' ' 39' ' ' GLU . 1.3 p -114.83 174.05 6.17 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.221 -0.924 . . . . 0.0 109.656 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.946 ' HB3' HG22 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -80.11 -30.83 39.16 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.141 -0.974 . . . . 0.0 110.407 -179.432 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.99 HD22 HD12 ' A' ' 35' ' ' LEU . 15.8 tp -80.33 -53.2 6.85 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.173 -0.955 . . . . 0.0 110.336 -179.268 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.577 ' O ' HG23 ' B' ' 8' ' ' VAL . 2.0 tt0 -53.85 -51.37 63.8 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 121.033 -1.042 . . . . 0.0 109.988 -179.038 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.659 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 5.6 mmpt? -64.2 -34.33 77.84 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.017 -1.052 . . . . 0.0 110.448 -179.249 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.588 ' CB ' ' HB3' ' A' ' 9' ' ' ALA . . . -80.12 -72.65 0.4 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.071 -1.018 . . . . 0.0 110.253 -179.217 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . 0.968 ' HE2' HG12 ' A' ' 77' ' ' VAL . 12.6 tpp -43.63 -49.54 7.64 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.428 -0.795 . . . . 0.0 109.927 -179.605 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.577 HG23 ' O ' ' B' ' 4' ' ' GLU . 13.5 t -67.08 -34.51 70.18 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 O-C-N 121.383 -0.823 . . . . 0.0 109.955 -179.064 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.659 ' HB2' ' O ' ' B' ' 5' ' ' LYS . . . -57.9 -41.01 81.69 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.097 -1.002 . . . . 0.0 108.905 179.499 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.526 ' CD1' ' HA ' ' A' ' 7' ' ' MET . 0.1 OUTLIER -56.8 -53.24 60.16 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.284 -0.885 . . . . 0.0 108.748 179.34 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.664 ' H ' HD12 ' B' ' 11' ' ' ILE . 2.6 mp -49.97 -29.02 4.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.154 -0.966 . . . . 0.0 108.409 179.284 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -63.63 -49.68 72.35 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.456 -0.778 . . . . 0.0 109.096 179.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.971 HG22 ' HB3' ' A' ' 2' ' ' GLU . 71.0 t -49.71 -37.57 12.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.351 -0.843 . . . . 0.0 109.167 179.69 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.46 ' CD1' ' HB3' ' B' ' 18' ' ' SER . 2.4 t80 -60.49 -41.55 94.49 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.384 -0.823 . . . . 0.0 109.724 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -70.0 -19.05 63.35 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.175 -0.953 . . . . 0.0 109.462 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -79.2 -54.45 5.97 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.37 -0.831 . . . . 0.0 109.583 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.553 ' CD1' HD21 ' B' ' 35' ' ' LEU . 58.0 m-85 -79.43 -54.99 5.39 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.193 -0.942 . . . . 0.0 109.422 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' B' ' 24' ' ' LYS . 0.8 OUTLIER -84.84 63.71 8.19 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.41 -0.806 . . . . 0.0 109.384 -179.914 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -167.87 -41.7 0.03 OUTLIER Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.395 -1.482 . . . . 0.0 109.395 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 24.2 ptt180 -94.4 -14.48 25.22 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.319 -1.106 . . . . 0.0 109.285 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -93.04 -159.63 0.69 Allowed 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.356 -0.84 . . . . 0.0 109.404 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.55 -61.48 4.41 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.711 -1.355 . . . . 0.0 109.711 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -57.68 -168.53 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.505 -0.997 . . . . 0.0 109.662 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.5 ' O ' ' CB ' ' B' ' 18' ' ' SER . 24.6 tttp -162.39 -74.7 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.257 -0.902 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . 0.545 ' O ' ' CG ' ' B' ' 25' ' ' HIS . 0.0 OUTLIER -88.05 6.88 34.04 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.132 -0.98 . . . . 0.0 109.217 179.857 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt -132.07 131.91 42.85 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.184 -0.948 . . . . 0.0 109.249 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.707 HD13 ' CD1' ' B' ' 73' ' ' PHE . 0.4 OUTLIER -95.05 -155.65 0.48 Allowed 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.086 -1.009 . . . . 0.0 109.481 -179.911 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 11.2 mtpt -149.7 164.05 36.26 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.298 -0.876 . . . . 0.0 109.218 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.52 ' O ' ' CD2' ' B' ' 60' ' ' LEU . 6.6 mtpp -75.66 -26.52 57.76 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.154 -0.966 . . . . 0.0 109.348 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.484 ' HB2' ' O ' ' B' ' 64' ' ' GLY . 44.5 t -80.0 -35.55 37.23 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.368 -0.832 . . . . 0.0 109.294 179.728 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.513 ' O ' ' HG2' ' B' ' 34' ' ' GLU . 7.3 tt0 -85.45 -19.08 31.83 Favored 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 179.144 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.918 HD13 ' CD1' ' B' ' 73' ' ' PHE . 13.3 tp -80.49 -38.84 29.09 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 178.337 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.646 ' HB2' HD22 ' B' ' 60' ' ' LEU . 1.7 tttt -59.43 -38.25 80.18 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 179.025 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.543 ' HG3' ' N ' ' B' ' 35' ' ' LEU . 9.9 pt-20 -77.97 -40.56 38.93 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 179.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 1.012 HD12 HD22 ' A' ' 3' ' ' LEU . 0.1 OUTLIER -50.66 -45.78 58.18 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.641 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.814 ' CG2' HD22 ' B' ' 40' ' ' LEU . 0.4 OUTLIER -80.68 -53.24 12.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.239 -0.913 . . . . 0.0 110.056 -179.757 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -65.62 -2.19 3.31 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.424 -0.797 . . . . 0.0 111.271 -178.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.439 ' HB2' ' O ' ' B' ' 34' ' ' GLU . 32.4 t30 -108.97 -56.85 2.22 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.796 -1.19 . . . . 0.0 109.887 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.539 ' HG2' ' CB ' ' A' ' 1' ' ' SER . 1.8 mt-10 -104.97 27.19 8.38 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.164 -0.96 . . . . 0.0 110.012 -179.617 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.814 HD22 ' CG2' ' B' ' 36' ' ' ILE . 0.4 OUTLIER -148.15 -30.93 0.29 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.15 -0.969 . . . . 0.0 110.385 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.12 -10.1 2.5 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.058 -1.026 . . . . 0.0 110.444 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -60.01 -22.72 62.96 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.894 -1.129 . . . . 0.0 109.367 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . 0.53 ' HB3' ' HA ' ' B' ' 85' ' ' HIS . 92.5 m-85 -95.71 -13.83 23.89 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.235 -0.916 . . . . 0.0 109.733 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.923 HD13 ' SG ' ' B' ' 84' ' ' CYS . 2.3 mm? -64.67 131.52 47.14 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.238 -0.914 . . . . 0.0 109.523 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.499 ' HG2' ' O ' ' B' ' 43' ' ' PHE . 0.4 OUTLIER -179.71 -36.13 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.187 -0.946 . . . . 0.0 109.637 179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.44 ' O ' ' HB ' ' B' ' 47' ' ' ILE . 0.9 OUTLIER -121.03 -46.09 2.34 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.217 -0.927 . . . . 0.0 109.764 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.508 ' CG1' ' SG ' ' B' ' 84' ' ' CYS . 8.7 mt 68.37 124.2 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.18 -0.95 . . . . 0.0 109.848 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -108.65 -41.23 4.85 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.317 -0.864 . . . . 0.0 109.103 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.506 ' HB3' ' HB ' ' B' ' 52' ' ' VAL . 2.2 mm-40 -99.68 87.51 3.58 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.291 -0.88 . . . . 0.0 109.212 179.742 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . 0.526 ' O ' ' CB ' ' B' ' 54' ' ' ASP . 5.9 tp60 -59.93 -24.07 64.05 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.334 -0.854 . . . . 0.0 109.809 -179.673 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.44 ' O ' ' HB2' ' B' ' 55' ' ' LYS . 25.4 mt-10 -80.16 -35.38 36.6 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.188 -0.945 . . . . 0.0 109.882 -179.738 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.63 HG11 ' O ' ' B' ' 79' ' ' MET . 70.1 t -68.35 -53.56 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.126 -0.984 . . . . 0.0 109.508 -179.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 48.0 t -69.81 -30.73 45.7 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 121.277 -0.889 . . . . 0.0 109.47 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . 0.526 ' CB ' ' O ' ' B' ' 50' ' ' GLN . 16.3 t0 -76.68 -22.02 54.56 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.142 -0.974 . . . . 0.0 109.037 179.623 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.44 ' HB2' ' O ' ' B' ' 51' ' ' GLU . 5.2 mtpt -80.75 -50.01 10.42 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.417 -0.802 . . . . 0.0 109.675 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.698 HG21 ' CG1' ' B' ' 80' ' ' VAL . 33.3 m -69.6 -46.47 75.34 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.357 0 O-C-N 121.117 -0.989 . . . . 0.0 108.882 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.584 ' N ' HG23 ' B' ' 56' ' ' VAL . 23.3 tpp -63.37 -24.08 67.69 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.779 -0.822 . . . . 0.0 108.779 179.211 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . 0.521 ' CG ' ' O ' ' B' ' 54' ' ' ASP . 7.8 mt-10 -74.32 -57.12 4.15 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.327 -0.858 . . . . 0.0 109.322 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . 0.459 ' O ' ' HE2' ' B' ' 29' ' ' LYS . 0.2 OUTLIER -60.94 -23.93 65.67 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.108 -0.995 . . . . 0.0 108.492 179.525 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.646 HD22 ' HB2' ' B' ' 33' ' ' LYS . 11.3 mt -70.18 -53.8 15.61 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-O 121.384 0.611 . . . . 0.0 109.527 179.708 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -75.45 -10.36 59.38 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.622 -0.674 . . . . 0.0 109.982 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.08 -52.79 12.95 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.243 -0.91 . . . . 0.0 109.849 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.491 ' O ' ' HD3' ' B' ' 29' ' ' LYS . 3.3 t70 -139.57 54.49 1.68 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.334 -0.854 . . . . 0.0 109.648 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . 0.484 ' O ' ' HB2' ' B' ' 30' ' ' SER . . . -40.32 -28.04 0.17 Allowed Glycine 0 N--CA 1.493 2.449 0 N-CA-C 110.066 -1.213 . . . . 0.0 110.066 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' B' ' 63' ' ' ASP . 20.7 t70 -89.54 39.9 0.97 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.166 -1.197 . . . . 0.0 109.417 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -109.38 -171.04 20.55 Favored Glycine 0 N--CA 1.487 2.073 0 N-CA-C 109.741 -1.343 . . . . 0.0 109.741 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' B' ' 67' ' ' GLU . 7.6 pt-20 -124.42 137.26 54.46 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.218 -1.166 . . . . 0.0 109.556 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 95.3 m -107.98 172.38 6.87 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.242 -0.911 . . . . 0.0 109.144 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -111.04 -175.32 2.68 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.219 -0.925 . . . . 0.0 109.61 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.513 ' CD1' ' N ' ' B' ' 71' ' ' GLN . 9.0 p90 -77.15 -39.85 47.66 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.308 -0.87 . . . . 0.0 109.56 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.65 ' HA ' HG21 ' A' ' 82' ' ' THR . 0.0 OUTLIER -80.05 -26.44 39.72 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.2 -0.937 . . . . 0.0 109.52 -179.907 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.504 ' N ' ' HG3' ' B' ' 71' ' ' GLN . 1.6 mt-10 -76.69 -54.8 6.16 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.169 -0.957 . . . . 0.0 109.081 179.654 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.918 ' CD1' HD13 ' B' ' 32' ' ' LEU . 16.0 t80 -58.26 -17.96 23.13 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 179.184 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.627 ' CE ' ' HA ' ' B' ' 74' ' ' MET . 0.2 OUTLIER -79.79 -63.87 1.32 Allowed 'General case' 0 N--CA 1.486 1.366 0 O-C-N 121.42 -0.8 . . . . 0.0 109.304 179.61 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.483 ' O ' ' HG3' ' B' ' 79' ' ' MET . . . -62.48 -12.89 24.78 Favored 'General case' 0 C--N 1.296 -1.744 0 C-N-CA 119.444 -0.903 . . . . 0.0 109.37 -179.403 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.621 ' CD1' HG12 ' B' ' 56' ' ' VAL . 0.3 OUTLIER -79.15 -44.81 21.22 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.324 -0.86 . . . . 0.0 108.763 179.548 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 1.024 HG12 ' HE2' ' A' ' 7' ' ' MET . 75.0 t -70.12 -27.65 33.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.564 -0.71 . . . . 0.0 109.36 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . 0.907 ' HA ' ' HE3' ' A' ' 7' ' ' MET . 44.4 m -78.75 -51.53 9.66 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.305 -0.872 . . . . 0.0 109.987 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . 0.63 ' O ' HG11 ' B' ' 52' ' ' VAL . 1.1 mmm -46.2 -39.22 9.42 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.291 -0.881 . . . . 0.0 110.049 -179.724 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.698 ' CG1' HG21 ' B' ' 56' ' ' VAL . 35.4 m -76.82 -48.5 25.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 121.205 -0.934 . . . . 0.0 110.319 -179.326 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.673 HG21 ' HG3' ' A' ' 7' ' ' MET . 0.4 OUTLIER -64.3 -10.75 26.02 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.117 -0.99 . . . . 0.0 109.622 -179.666 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.675 HG21 ' HA ' ' A' ' 71' ' ' GLN . 0.9 OUTLIER -99.56 -37.21 9.26 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.145 -0.972 . . . . 0.0 109.006 179.684 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.414 ' HB2' HG11 ' B' ' 52' ' ' VAL . . . -74.85 -76.13 0.15 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.272 -0.892 . . . . 0.0 109.426 179.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . 0.923 ' SG ' HD13 ' B' ' 44' ' ' LEU . 33.9 t -96.36 88.02 4.63 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.227 -0.92 . . . . 0.0 109.312 179.765 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . 0.53 ' HA ' ' HB3' ' B' ' 43' ' ' PHE . 77.6 t60 -156.27 163.08 39.97 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.16 -0.962 . . . . 0.0 109.736 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . 0.547 ' HG3' ' CB ' ' B' ' 89' ' ' GLU . 1.0 OUTLIER -85.74 46.49 1.32 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.408 -0.808 . . . . 0.0 109.074 179.789 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . 0.702 ' CD1' ' CZ ' ' B' ' 88' ' ' PHE . 0.3 OUTLIER -54.57 -40.79 69.1 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.439 -0.788 . . . . 0.0 109.924 -179.536 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.702 ' CZ ' ' CD1' ' B' ' 87' ' ' PHE . 4.8 m-85 -143.99 43.07 1.45 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.044 -1.035 . . . . 0.0 110.135 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.547 ' CB ' ' HG3' ' B' ' 86' ' ' GLU . 0.4 OUTLIER -112.62 -39.16 4.4 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.047 -1.033 . . . . 0.0 109.247 179.588 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . 0.444 ' O ' ' CB ' ' B' ' 91' ' ' GLU . 0.0 OUTLIER -172.05 40.01 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.441 -0.787 . . . . 0.0 109.356 179.876 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.444 ' CB ' ' O ' ' B' ' 90' ' ' HIS . 1.9 tt0 . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 117.967 -1.016 . . . . 0.0 109.522 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.288 0.566 . . . . 0.0 109.558 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.503 ' OG ' ' HB3' ' A' ' 4' ' ' GLU . 36.5 p -123.53 -177.0 3.59 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.2 -0.938 . . . . 0.0 109.568 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.895 ' HB2' HG22 ' B' ' 13' ' ' VAL . 2.4 mm-40 -80.08 -44.14 20.55 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.272 -0.893 . . . . 0.0 109.912 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.748 HD11 HD21 ' B' ' 10' ' ' LEU . 6.3 tp -75.75 -47.53 25.56 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.357 -0.839 . . . . 0.0 110.537 -178.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.533 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 4.5 tt0 -64.19 -49.39 72.23 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.952 -1.092 . . . . 0.0 110.514 -179.031 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.665 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.3 OUTLIER -69.71 -36.37 75.85 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.001 -1.062 . . . . 0.0 110.339 -179.166 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.681 ' HB1' ' HB3' ' B' ' 9' ' ' ALA . . . -80.37 -67.62 0.75 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.014 -1.054 . . . . 0.0 110.154 -179.415 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.898 ' HE2' HG12 ' B' ' 77' ' ' VAL . 4.3 tpt -45.96 -53.48 9.93 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.308 -0.87 . . . . 0.0 109.501 -179.557 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.533 ' CG2' ' O ' ' A' ' 4' ' ' GLU . 21.4 t -62.12 -38.23 80.38 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.555 0 C-N-CA 119.64 -0.824 . . . . 0.0 109.158 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.681 ' HB3' ' HB1' ' B' ' 6' ' ' ALA . . . -53.13 -37.68 62.01 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 179.06 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.761 HD21 HD11 ' B' ' 3' ' ' LEU . 0.5 OUTLIER -55.25 -46.79 76.06 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 178.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.678 HG23 ' HE1' ' B' ' 88' ' ' PHE . 1.7 mp -56.24 -33.05 36.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.026 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -60.11 -49.62 76.93 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.523 -0.735 . . . . 0.0 109.293 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.915 HG22 ' HB2' ' B' ' 2' ' ' GLU . 69.6 t -49.21 -49.28 17.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.191 -0.943 . . . . 0.0 109.059 179.719 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.551 ' CE1' ' CD2' ' A' ' 73' ' ' PHE . 0.6 OUTLIER -44.67 -59.76 2.33 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.471 -0.768 . . . . 0.0 109.65 -179.904 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 29.6 t-80 -54.55 -34.83 62.48 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.168 -0.958 . . . . 0.0 109.644 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.48 -36.85 83.79 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.309 -0.87 . . . . 0.0 109.783 -179.657 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.812 ' CD1' HD21 ' A' ' 35' ' ' LEU . 73.2 m-85 -102.34 15.7 28.41 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.251 -0.906 . . . . 0.0 109.533 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.62 -7.0 7.43 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.161 -0.962 . . . . 0.0 109.465 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.06 -21.16 68.5 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.481 -1.448 . . . . 0.0 109.481 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -153.76 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.275 -1.132 . . . . 0.0 109.381 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 22' ' ' GLY . 2.9 pm0 -55.82 -98.84 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.186 -0.946 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 21' ' ' GLU . . . 42.63 -120.56 2.53 Favored Glycine 0 N--CA 1.493 2.481 0 N-CA-C 109.712 -1.355 . . . . 0.0 109.712 179.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.476 ' HB2' ' HD3' ' A' ' 26' ' ' LYS . 21.9 t70 -141.96 -55.81 0.46 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.275 -1.132 . . . . 0.0 109.252 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.455 ' HB2' ' O ' ' A' ' 23' ' ' ASP . 14.9 ttpt 177.5 -48.86 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.426 -0.797 . . . . 0.0 109.48 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -134.67 26.48 3.69 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.206 -0.934 . . . . 0.0 110.15 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.498 ' HE2' ' HB2' ' A' ' 67' ' ' GLU . 4.9 ptmm? -119.04 129.79 55.3 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.099 -1.001 . . . . 0.0 109.182 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.468 HD23 ' HB2' ' A' ' 32' ' ' LEU . 1.7 tp -94.16 -161.77 0.88 Allowed 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.336 -0.853 . . . . 0.0 109.478 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -139.94 177.5 7.92 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.252 -0.905 . . . . 0.0 109.217 179.777 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.454 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 10.0 mmtp -78.69 -32.39 47.0 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.194 -0.941 . . . . 0.0 109.077 179.727 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.1 t -81.03 -35.2 32.17 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.291 -0.881 . . . . 0.0 109.538 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.467 ' O ' ' HB2' ' A' ' 35' ' ' LEU . 9.3 tt0 -81.75 -25.81 35.05 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 179.694 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.501 ' O ' HG13 ' A' ' 36' ' ' ILE . 22.1 tp -79.82 -40.68 28.03 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 108.633 -0.876 . . . . 0.0 108.633 179.256 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.784 ' HG2' HD13 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -64.93 -37.13 86.63 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 179.413 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.559 ' HG3' ' N ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -78.01 -31.25 50.46 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.498 -0.926 . . . . 0.0 108.498 179.667 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.854 HD11 HG11 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -55.16 -44.62 75.33 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 178.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.525 HG22 ' HB3' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -81.33 -61.55 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 O-C-N 121.468 -0.77 . . . . 0.0 109.813 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -54.91 -11.14 0.57 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.243 -0.91 . . . . 0.0 111.563 -178.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.49 ' HB2' ' O ' ' A' ' 34' ' ' GLU . 0.3 OUTLIER -104.08 -58.24 1.91 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.466 -1.396 . . . . 0.0 110.45 -179.368 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.474 ' O ' ' HB3' ' B' ' 3' ' ' LEU . 52.9 mt-10 -111.45 31.58 6.02 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.908 -1.12 . . . . 0.0 110.354 -179.14 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.702 ' HB2' HD23 ' B' ' 3' ' ' LEU . 0.2 OUTLIER -153.02 -86.86 0.06 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.98 -1.075 . . . . 0.0 108.851 179.88 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.566 ' O ' ' CG ' ' A' ' 42' ' ' HIS . 2.8 m 63.29 7.01 2.65 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.783 -1.198 . . . . 0.0 110.543 179.155 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.566 ' CG ' ' O ' ' A' ' 41' ' ' SER . 31.4 p80 38.88 27.89 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.25 -0.906 . . . . 0.0 110.087 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.497 ' N ' ' O ' ' A' ' 41' ' ' SER . 36.2 m-85 60.23 105.74 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.082 -1.011 . . . . 0.0 109.449 -179.694 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.601 ' HG ' HD11 ' A' ' 47' ' ' ILE . 0.2 OUTLIER -91.11 126.11 36.1 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.322 -0.861 . . . . 0.0 109.605 -179.812 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.478 ' HG3' ' N ' ' A' ' 46' ' ' GLU . 8.5 pt-20 -163.86 -37.89 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.17 -0.956 . . . . 0.0 109.633 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.478 ' N ' ' HG3' ' A' ' 45' ' ' GLU . 0.1 OUTLIER -144.7 -54.1 0.32 Allowed 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.257 -0.902 . . . . 0.0 108.723 179.897 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.601 HD11 ' HG ' ' A' ' 44' ' ' LEU . 3.6 mt 63.2 100.53 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.39 -0.819 . . . . 0.0 109.664 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -89.7 -41.16 12.08 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.124 -0.985 . . . . 0.0 109.416 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.711 ' OE1' HG23 ' A' ' 52' ' ' VAL . 4.3 mm-40 -80.49 75.54 7.35 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.11 -0.994 . . . . 0.0 109.667 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.45 ' O ' ' HB2' ' A' ' 54' ' ' ASP . 37.3 tt0 -62.18 -23.46 66.62 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.244 -0.91 . . . . 0.0 109.519 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.33 -27.35 42.09 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.243 -0.91 . . . . 0.0 109.742 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.711 HG23 ' OE1' ' A' ' 49' ' ' GLU . 96.3 t -74.91 -45.64 42.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.171 -0.956 . . . . 0.0 109.605 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.524 HG23 ' CB ' ' A' ' 83' ' ' ALA . 57.3 t -78.69 -29.68 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.223 -0.923 . . . . 0.0 109.187 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.517 ' O ' ' CG ' ' A' ' 58' ' ' GLU . 5.5 m-20 -79.31 -22.6 44.35 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.21 -0.931 . . . . 0.0 108.828 179.32 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -80.56 -49.85 10.78 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.248 -0.908 . . . . 0.0 109.331 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.598 HG23 ' N ' ' A' ' 57' ' ' MET . 35.3 m -71.69 -46.16 63.28 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.307 0 O-C-N 121.093 -1.004 . . . . 0.0 108.615 179.431 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.598 ' N ' HG23 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -63.15 -23.14 67.3 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 179.118 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.517 ' CG ' ' O ' ' A' ' 54' ' ' ASP . 5.8 mt-10 -71.8 -52.62 16.62 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.216 -0.927 . . . . 0.0 109.342 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 33.1 m -62.74 -27.58 69.37 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.101 -0.999 . . . . 0.0 108.457 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.784 HD13 ' HG2' ' A' ' 33' ' ' LYS . 8.6 mt -67.35 -53.04 33.03 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-O 121.532 0.682 . . . . 0.0 109.786 179.666 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.31 -7.64 59.14 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.556 -0.715 . . . . 0.0 110.039 -179.653 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.432 ' HB2' ' O ' ' A' ' 58' ' ' GLU . 9.5 tp10 -80.37 -47.11 14.93 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.14 -0.975 . . . . 0.0 109.792 -179.646 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -87.06 -70.25 0.63 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.384 -0.822 . . . . 0.0 109.896 -179.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.36 -43.23 3.21 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.298 -1.521 . . . . 0.0 109.298 -179.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -118.76 36.03 4.58 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.254 -1.145 . . . . 0.0 109.293 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -100.88 168.15 20.16 Favored Glycine 0 N--CA 1.488 2.156 0 N-CA-C 109.662 -1.375 . . . . 0.0 109.662 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.498 ' HB2' ' HE2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -109.34 129.76 55.52 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.303 -1.116 . . . . 0.0 109.391 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.438 ' SG ' ' HD3' ' A' ' 29' ' ' LYS . 3.6 m -93.89 168.34 11.04 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.073 -1.017 . . . . 0.0 109.016 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -111.19 -161.14 0.74 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.142 -0.974 . . . . 0.0 109.277 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.47 ' O ' ' HB2' ' A' ' 74' ' ' MET . 0.1 OUTLIER -88.68 -43.67 11.15 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.18 -0.95 . . . . 0.0 108.978 179.92 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.486 ' HG2' ' HB ' ' B' ' 82' ' ' THR . 1.1 mt-30 -71.64 -22.8 61.64 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.293 -0.88 . . . . 0.0 109.639 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.501 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 0.5 OUTLIER -78.29 -53.71 7.01 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.221 -0.924 . . . . 0.0 109.675 -179.817 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.694 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.3 OUTLIER -63.88 -21.21 66.35 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.246 -0.909 . . . . 0.0 108.881 179.868 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.564 ' CE ' ' HA ' ' A' ' 74' ' ' MET . 0.7 OUTLIER -80.17 -53.01 7.08 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.068 -1.02 . . . . 0.0 109.513 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.539 ' O ' ' HG3' ' A' ' 79' ' ' MET . . . -70.89 -15.43 62.62 Favored 'General case' 0 C--N 1.299 -1.619 0 C-N-CA 119.521 -0.871 . . . . 0.0 109.117 -179.676 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.66 ' O ' HG22 ' A' ' 80' ' ' VAL . 1.0 OUTLIER -80.9 -40.31 24.87 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.496 -0.752 . . . . 0.0 109.515 179.598 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.905 HG12 ' HE2' ' B' ' 7' ' ' MET . 87.3 t -68.23 -26.19 33.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.254 -0.904 . . . . 0.0 109.701 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.442 ' O ' ' OG1' ' A' ' 82' ' ' THR . 49.7 m -80.67 -41.76 23.19 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.107 -0.996 . . . . 0.0 111.115 -179.199 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.539 ' HG3' ' O ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -59.9 -40.4 88.67 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.818 -1.176 . . . . 0.0 110.39 -178.941 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.66 HG22 ' O ' ' A' ' 76' ' ' PHE . 2.5 m -75.62 -43.01 41.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.143 -0.973 . . . . 0.0 111.14 -178.53 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.553 ' OG1' ' HE2' ' B' ' 7' ' ' MET . 1.6 m -61.83 -9.68 7.28 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.695 -1.253 . . . . 0.0 110.223 -179.494 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.503 ' HB ' ' HG2' ' B' ' 71' ' ' GLN . 0.3 OUTLIER -121.69 -0.0 9.75 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.998 -1.064 . . . . 0.0 109.937 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.524 ' CB ' HG23 ' A' ' 53' ' ' VAL . . . -73.55 -1.48 18.8 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.146 -0.972 . . . . 0.0 110.024 -179.738 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.541 ' CB ' ' HB3' ' A' ' 87' ' ' PHE . 0.9 OUTLIER -88.09 164.14 15.88 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.007 -1.058 . . . . 0.0 109.688 -179.931 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 57.9 t60 -63.07 -85.66 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.192 -0.943 . . . . 0.0 109.608 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.575 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -85.41 -28.2 25.28 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.169 -0.957 . . . . 0.0 109.422 -179.929 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.672 ' CZ ' ' CZ ' ' A' ' 88' ' ' PHE . 21.6 p90 33.09 41.52 0.03 OUTLIER 'General case' 0 N--CA 1.499 2.024 0 CA-C-O 121.2 0.524 . . . . 0.0 110.572 179.773 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.672 ' CZ ' ' CZ ' ' A' ' 87' ' ' PHE . 14.4 m-85 -132.9 -39.07 0.97 Allowed 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.065 -1.022 . . . . 0.0 109.286 179.725 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.04 131.97 39.83 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.386 -0.821 . . . . 0.0 109.291 179.694 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 13.9 p-80 -123.19 4.63 9.21 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.322 -0.861 . . . . 0.0 109.578 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 118.028 -0.987 . . . . 0.0 109.419 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . 0.499 ' OG ' ' HB3' ' B' ' 4' ' ' GLU . 37.1 p -123.47 -176.92 3.57 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.29 -0.881 . . . . 0.0 109.618 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.915 ' HB2' HG22 ' A' ' 13' ' ' VAL . 2.4 mm-40 -80.08 -44.26 20.35 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.318 -0.864 . . . . 0.0 109.866 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.761 HD11 HD21 ' A' ' 10' ' ' LEU . 6.3 tp -75.71 -47.41 26.23 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.359 -0.838 . . . . 0.0 110.595 -178.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.523 ' O ' ' CG2' ' B' ' 8' ' ' VAL . 4.5 tt0 -64.35 -49.35 72.02 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.927 -1.108 . . . . 0.0 110.457 -178.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.666 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 0.2 OUTLIER -69.69 -36.31 75.85 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.931 -1.105 . . . . 0.0 110.439 -179.192 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.681 ' HB1' ' HB3' ' A' ' 9' ' ' ALA . . . -80.4 -67.6 0.75 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.996 -1.065 . . . . 0.0 110.227 -179.518 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . 0.905 ' HE2' HG12 ' A' ' 77' ' ' VAL . 4.3 tpt -45.88 -53.49 9.71 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.268 -0.895 . . . . 0.0 109.525 -179.617 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.523 ' CG2' ' O ' ' B' ' 4' ' ' GLU . 21.5 t -62.13 -38.21 80.35 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.578 0 C-N-CA 119.618 -0.833 . . . . 0.0 109.146 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.681 ' HB3' ' HB1' ' A' ' 6' ' ' ALA . . . -53.18 -37.56 62.03 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.069 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.748 HD21 HD11 ' A' ' 3' ' ' LEU . 0.5 OUTLIER -55.36 -46.77 76.45 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 178.922 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.671 HG23 ' HE1' ' A' ' 88' ' ' PHE . 1.7 mp -56.32 -32.97 36.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 179.118 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -60.06 -49.71 76.58 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.617 -0.677 . . . . 0.0 109.319 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.895 HG22 ' HB2' ' A' ' 2' ' ' GLU . 69.1 t -49.22 -49.22 17.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.264 -0.897 . . . . 0.0 109.089 179.726 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.549 ' CE1' ' CD2' ' B' ' 73' ' ' PHE . 0.6 OUTLIER -44.76 -59.73 2.37 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.386 -0.821 . . . . 0.0 109.628 -179.925 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 29.5 t-80 -54.61 -34.84 62.69 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.154 -0.966 . . . . 0.0 109.567 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.39 -36.88 83.69 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.234 -0.916 . . . . 0.0 109.761 -179.656 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.832 ' CD1' HD21 ' B' ' 35' ' ' LEU . 72.0 m-85 -102.3 15.6 28.68 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.127 -0.983 . . . . 0.0 109.606 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.58 -6.94 7.46 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.197 -0.94 . . . . 0.0 109.521 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.05 -21.24 68.35 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.461 -1.455 . . . . 0.0 109.461 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.53 -153.89 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.319 -1.106 . . . . 0.0 109.397 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' B' ' 22' ' ' GLY . 2.9 pm0 -55.59 -99.03 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.166 -0.959 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' B' ' 21' ' ' GLU . . . 42.73 -120.58 2.58 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.71 -1.356 . . . . 0.0 109.71 179.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.476 ' HB2' ' HD3' ' B' ' 26' ' ' LYS . 21.8 t70 -141.98 -55.7 0.45 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.282 -1.129 . . . . 0.0 109.215 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.451 ' HB2' ' O ' ' B' ' 23' ' ' ASP . 14.9 ttpt 177.4 -48.87 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.377 -0.827 . . . . 0.0 109.493 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -134.77 26.46 3.66 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.222 -0.924 . . . . 0.0 110.034 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.497 ' HE2' ' HB2' ' B' ' 67' ' ' GLU . 4.9 ptmm? -119.07 129.76 55.26 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.049 -1.032 . . . . 0.0 109.222 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.482 HD23 ' HB2' ' B' ' 32' ' ' LEU . 1.7 tp -94.17 -161.87 0.89 Allowed 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.322 -0.861 . . . . 0.0 109.403 -179.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.467 ' O ' ' CB ' ' B' ' 32' ' ' LEU . 0.2 OUTLIER -139.93 177.5 7.92 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.267 -0.896 . . . . 0.0 109.176 179.815 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.453 ' O ' ' HB2' ' B' ' 33' ' ' LYS . 10.0 mmtp -78.67 -32.36 47.09 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.193 -0.942 . . . . 0.0 109.137 179.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.1 t -81.02 -35.2 32.2 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.301 -0.875 . . . . 0.0 109.607 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.469 ' O ' ' HB2' ' B' ' 35' ' ' LEU . 9.4 tt0 -81.73 -25.78 35.11 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 179.71 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.505 ' O ' HG13 ' B' ' 36' ' ' ILE . 22.3 tp -79.83 -40.52 28.31 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 179.226 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.77 ' HG2' HD13 ' B' ' 60' ' ' LEU . 0.0 OUTLIER -64.94 -37.18 86.78 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 179.329 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.553 ' HG3' ' N ' ' B' ' 35' ' ' LEU . 0.0 OUTLIER -78.09 -31.17 49.98 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 179.697 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.86 HD11 HG11 ' B' ' 13' ' ' VAL . 0.2 OUTLIER -55.11 -44.6 75.11 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 178.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.53 HG22 ' HB3' ' B' ' 40' ' ' LEU . 0.2 OUTLIER -81.32 -61.57 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.465 0 O-C-N 121.501 -0.749 . . . . 0.0 109.832 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -54.76 -11.24 0.56 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.255 -0.903 . . . . 0.0 111.63 -178.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.501 ' HB2' ' O ' ' B' ' 34' ' ' GLU . 0.3 OUTLIER -104.08 -58.21 1.91 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.448 -1.408 . . . . 0.0 110.593 -179.406 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.493 ' O ' ' HB3' ' A' ' 3' ' ' LEU . 52.8 mt-10 -111.44 31.6 6.0 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.943 -1.098 . . . . 0.0 110.385 -179.255 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.72 ' HB2' HD23 ' A' ' 3' ' ' LEU . 0.2 OUTLIER -153.0 -86.86 0.06 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.099 -1.0 . . . . 0.0 108.836 179.835 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.582 ' O ' ' CG ' ' B' ' 42' ' ' HIS . 2.8 m 63.22 6.98 2.58 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.81 -1.181 . . . . 0.0 110.539 179.251 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . 0.582 ' CG ' ' O ' ' B' ' 41' ' ' SER . 31.5 p80 38.96 27.86 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.405 -0.809 . . . . 0.0 110.035 179.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . 0.502 ' N ' ' O ' ' B' ' 41' ' ' SER . 36.4 m-85 60.41 105.67 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.183 -0.948 . . . . 0.0 109.386 -179.774 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.618 ' HG ' HD11 ' B' ' 47' ' ' ILE . 0.2 OUTLIER -91.08 126.16 36.08 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.301 -0.874 . . . . 0.0 109.553 -179.85 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.473 ' HG3' ' N ' ' B' ' 46' ' ' GLU . 8.5 pt-20 -163.89 -37.99 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.138 -0.976 . . . . 0.0 109.595 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.473 ' N ' ' HG3' ' B' ' 45' ' ' GLU . 0.1 OUTLIER -144.7 -54.02 0.32 Allowed 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.227 -0.92 . . . . 0.0 108.699 179.9 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.618 HD11 ' HG ' ' B' ' 44' ' ' LEU . 3.6 mt 63.2 100.5 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.382 -0.824 . . . . 0.0 109.697 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 12.8 tttp -89.68 -41.12 12.11 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.2 -0.937 . . . . 0.0 109.503 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.7 ' OE1' HG23 ' B' ' 52' ' ' VAL . 4.3 mm-40 -80.48 75.57 7.33 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.22 -0.925 . . . . 0.0 109.615 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . 0.453 ' O ' ' HB2' ' B' ' 54' ' ' ASP . 37.3 tt0 -62.13 -23.53 66.62 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.241 -0.912 . . . . 0.0 109.503 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.41 -27.36 41.79 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.274 -0.891 . . . . 0.0 109.689 -179.673 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.7 HG23 ' OE1' ' B' ' 49' ' ' GLU . 96.8 t -74.91 -45.59 42.87 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.15 -0.969 . . . . 0.0 109.593 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.529 HG23 ' CB ' ' B' ' 83' ' ' ALA . 57.1 t -78.72 -29.64 14.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.249 -0.907 . . . . 0.0 109.173 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . 0.517 ' O ' ' CG ' ' B' ' 58' ' ' GLU . 5.4 m-20 -79.35 -22.6 44.22 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.221 -0.925 . . . . 0.0 108.863 179.293 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -80.47 -49.89 10.8 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.309 -0.87 . . . . 0.0 109.411 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.596 HG23 ' N ' ' B' ' 57' ' ' MET . 35.3 m -71.62 -46.28 63.3 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.281 0 O-C-N 121.063 -1.023 . . . . 0.0 108.58 179.449 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.596 ' N ' HG23 ' B' ' 56' ' ' VAL . 0.0 OUTLIER -63.0 -23.21 67.34 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 179.104 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . 0.517 ' CG ' ' O ' ' B' ' 54' ' ' ASP . 5.9 mt-10 -71.81 -52.57 16.87 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.26 -0.9 . . . . 0.0 109.42 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 33.6 m -62.86 -27.56 69.43 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.031 -1.043 . . . . 0.0 108.342 179.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.77 HD13 ' HG2' ' B' ' 33' ' ' LYS . 8.6 mt -67.4 -52.93 33.92 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-O 121.459 0.647 . . . . 0.0 109.697 179.699 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.43 -7.52 59.17 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.505 -0.747 . . . . 0.0 109.987 -179.57 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.436 ' HB2' ' O ' ' B' ' 58' ' ' GLU . 9.6 tp10 -80.59 -46.99 14.81 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.208 -0.933 . . . . 0.0 109.756 -179.557 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -87.12 -70.23 0.63 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.387 -0.821 . . . . 0.0 109.775 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.32 -43.28 3.22 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.272 -1.531 . . . . 0.0 109.272 -179.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -118.84 36.12 4.56 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.251 -1.146 . . . . 0.0 109.319 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -100.89 168.11 20.13 Favored Glycine 0 N--CA 1.488 2.131 0 N-CA-C 109.615 -1.394 . . . . 0.0 109.615 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.497 ' HB2' ' HE2' ' B' ' 26' ' ' LYS . 0.0 OUTLIER -109.32 129.79 55.51 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.271 -1.135 . . . . 0.0 109.386 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.442 ' SG ' ' HD3' ' B' ' 29' ' ' LYS . 3.6 m -93.89 168.36 11.03 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.119 -0.988 . . . . 0.0 109.029 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -111.26 -161.15 0.74 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.044 -1.035 . . . . 0.0 109.347 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.472 ' O ' ' HB2' ' B' ' 74' ' ' MET . 0.1 OUTLIER -88.7 -43.71 11.1 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.103 -0.998 . . . . 0.0 108.95 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.503 ' HG2' ' HB ' ' A' ' 82' ' ' THR . 1.1 mt-30 -71.57 -22.83 61.69 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.325 -0.859 . . . . 0.0 109.579 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.499 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 0.5 OUTLIER -78.35 -53.64 7.07 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.235 -0.916 . . . . 0.0 109.647 -179.67 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.698 ' O ' HG23 ' B' ' 77' ' ' VAL . 0.3 OUTLIER -63.84 -21.25 66.36 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.278 -0.888 . . . . 0.0 109.002 179.778 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.554 ' CE ' ' HA ' ' B' ' 74' ' ' MET . 0.7 OUTLIER -80.21 -52.84 7.27 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.089 -1.007 . . . . 0.0 109.522 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.533 ' O ' ' HG3' ' B' ' 79' ' ' MET . . . -70.98 -15.46 62.58 Favored 'General case' 0 C--N 1.299 -1.63 0 C-N-CA 119.51 -0.876 . . . . 0.0 109.08 -179.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.65 ' O ' HG22 ' B' ' 80' ' ' VAL . 1.0 OUTLIER -80.84 -40.35 25.04 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.456 -0.777 . . . . 0.0 109.42 179.573 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.898 HG12 ' HE2' ' A' ' 7' ' ' MET . 88.2 t -68.19 -26.36 33.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.255 -0.903 . . . . 0.0 109.701 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . 0.45 ' O ' ' OG1' ' B' ' 82' ' ' THR . 50.6 m -80.6 -41.68 23.54 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.1 -1.0 . . . . 0.0 111.069 -179.135 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . 0.533 ' HG3' ' O ' ' B' ' 75' ' ' ALA . 0.0 OUTLIER -59.94 -40.35 88.63 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.824 -1.173 . . . . 0.0 110.452 -178.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.65 HG22 ' O ' ' B' ' 76' ' ' PHE . 2.5 m -75.64 -43.06 41.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.134 -0.979 . . . . 0.0 111.119 -178.578 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.556 ' OG1' ' HE2' ' A' ' 7' ' ' MET . 1.6 m -61.74 -9.75 7.16 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.68 -1.263 . . . . 0.0 110.305 -179.503 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.486 ' HB ' ' HG2' ' A' ' 71' ' ' GLN . 0.4 OUTLIER -121.6 -0.03 9.8 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.954 -1.091 . . . . 0.0 110.005 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.529 ' CB ' HG23 ' B' ' 53' ' ' VAL . . . -73.56 -1.34 18.31 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.148 -0.97 . . . . 0.0 110.053 -179.741 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . 0.533 ' CB ' ' HB3' ' B' ' 87' ' ' PHE . 0.9 OUTLIER -88.25 164.18 15.74 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.994 -1.066 . . . . 0.0 109.643 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 57.9 t60 -63.15 -85.6 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.2 -0.938 . . . . 0.0 109.655 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . 0.577 ' O ' ' CD1' ' B' ' 87' ' ' PHE . 0.0 OUTLIER -85.4 -28.26 25.25 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.169 -0.957 . . . . 0.0 109.362 -179.918 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . 0.675 ' CZ ' ' CZ ' ' B' ' 88' ' ' PHE . 21.8 p90 33.08 41.48 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.967 0 CA-C-O 121.179 0.514 . . . . 0.0 110.604 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.678 ' HE1' HG23 ' A' ' 11' ' ' ILE . 14.3 m-85 -132.87 -39.0 0.97 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.075 -1.015 . . . . 0.0 109.284 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.15 131.93 39.69 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.474 -0.766 . . . . 0.0 109.208 179.717 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 14.0 p-80 -123.14 4.68 9.24 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.292 -0.88 . . . . 0.0 109.627 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 117.996 -1.002 . . . . 0.0 109.367 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . 0.484 ' O ' ' CG ' ' A' ' 0' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.432 ' O ' ' HB2' ' A' ' 5' ' ' LYS . 20.3 p -89.11 -175.47 4.82 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.307 -0.871 . . . . 0.0 109.471 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.733 ' HB3' HG22 ' B' ' 13' ' ' VAL . 8.3 tt0 -80.21 -38.92 30.16 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.329 -0.857 . . . . 0.0 110.024 -179.578 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 1.074 ' CD1' HD23 ' B' ' 10' ' ' LEU . 16.4 tp -78.39 -52.31 8.76 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.154 -0.966 . . . . 0.0 110.057 -179.459 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.534 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 3.5 tm-20 -55.92 -34.38 65.54 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.325 -0.86 . . . . 0.0 110.03 -179.064 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.432 ' HB2' ' O ' ' A' ' 1' ' ' SER . 11.1 tptt -80.4 -51.46 8.82 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.922 -1.112 . . . . 0.0 110.254 -179.57 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.661 ' HB1' ' HB3' ' B' ' 9' ' ' ALA . . . -73.45 -62.22 1.56 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.126 -0.984 . . . . 0.0 110.251 -179.364 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.721 ' CE ' HG12 ' B' ' 77' ' ' VAL . 13.9 tpt -45.5 -47.53 14.13 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.325 -0.859 . . . . 0.0 109.718 -179.466 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.534 ' CG2' ' O ' ' A' ' 4' ' ' GLU . 40.0 t -71.9 -30.44 37.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.371 -0.83 . . . . 0.0 109.996 -179.588 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.648 ' HB3' ' HB1' ' B' ' 6' ' ' ALA . . . -60.23 -54.59 43.94 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.058 -1.026 . . . . 0.0 109.53 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 1.096 HD13 ' N ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -52.26 -41.09 62.54 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.179 -0.951 . . . . 0.0 108.8 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 1.096 ' N ' HD13 ' A' ' 10' ' ' LEU . 0.5 OUTLIER -63.17 -35.69 72.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 120.953 -1.092 . . . . 0.0 108.328 179.697 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 13' ' ' VAL . 9.2 t0 -56.66 -44.24 81.15 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 178.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.699 HG22 ' HB3' ' B' ' 2' ' ' GLU . 14.0 t -47.41 -43.0 8.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 178.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.614 ' CE2' ' HB3' ' A' ' 70' ' ' PHE . 77.6 t80 -48.01 -49.68 30.18 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.346 -0.847 . . . . 0.0 108.839 179.402 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.566 ' HB2' ' CE2' ' B' ' 88' ' ' PHE . 32.7 t-80 -60.4 -36.04 77.17 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.399 -0.813 . . . . 0.0 109.408 179.656 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -54.73 -52.79 61.39 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.278 -0.889 . . . . 0.0 109.392 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.592 ' CD2' HD21 ' A' ' 35' ' ' LEU . 83.5 m-85 -87.87 0.05 56.33 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.303 -0.873 . . . . 0.0 109.487 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.0 t -129.89 26.73 5.23 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.213 -0.93 . . . . 0.0 109.324 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 15' ' ' HIS . . . -130.0 -1.4 5.38 Favored Glycine 0 N--CA 1.487 2.061 0 N-CA-C 109.763 -1.335 . . . . 0.0 109.763 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 19' ' ' GLY . 1.1 mtp85 -43.76 -88.07 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.217 -1.167 . . . . 0.0 109.416 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -122.48 -80.95 0.63 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.278 -0.889 . . . . 0.0 109.218 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.524 ' O ' ' C ' ' A' ' 23' ' ' ASP . . . -80.26 -145.22 3.84 Favored Glycine 0 N--CA 1.488 2.147 0 N-CA-C 109.245 -1.542 . . . . 0.0 109.245 179.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.524 ' C ' ' O ' ' A' ' 22' ' ' GLY . 0.4 OUTLIER 26.82 71.9 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.462 0 O-C-N 122.2 -0.588 . . . . 0.0 110.989 179.275 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.592 ' HB3' ' CE1' ' A' ' 25' ' ' HIS . 7.5 ttpt -83.03 -13.33 56.08 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.249 -0.907 . . . . 0.0 109.547 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.592 ' CE1' ' HB3' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -146.21 28.57 1.1 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.239 -0.913 . . . . 0.0 109.28 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.428 ' O ' ' HB3' ' A' ' 23' ' ' ASP . 0.0 OUTLIER -146.87 128.33 14.98 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.139 -0.976 . . . . 0.0 109.735 -179.9 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.598 HD22 ' HB3' ' A' ' 31' ' ' GLU . 1.6 mt -111.24 -157.57 0.62 Allowed 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 179.708 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' A' ' 66' ' ' GLY . 14.2 mtpt -141.07 173.78 11.16 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.945 -1.097 . . . . 0.0 109.641 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.445 ' HB2' ' O ' ' A' ' 63' ' ' ASP . 4.7 mmtt -74.43 -31.81 62.43 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.325 -0.859 . . . . 0.0 109.657 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.425 ' HB2' ' O ' ' A' ' 64' ' ' GLY . 46.9 t -73.43 -26.43 60.95 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.138 -0.976 . . . . 0.0 109.512 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.598 ' HB3' HD22 ' A' ' 27' ' ' LEU . 1.2 tt0 -87.36 -19.9 27.49 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.056 -1.027 . . . . 0.0 108.478 179.476 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.527 HD21 ' CD2' ' A' ' 76' ' ' PHE . 10.4 tp -80.91 -38.03 28.64 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 178.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.592 ' HB2' HD22 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -63.6 -36.81 85.03 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.262 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.551 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 9.5 pt-20 -78.58 -38.33 40.4 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 179.587 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 1.007 ' CD1' HD22 ' B' ' 3' ' ' LEU . 0.2 OUTLIER -48.02 -49.91 29.47 Favored 'General case' 0 C--N 1.295 -1.793 0 CA-C-O 121.489 0.661 . . . . 0.0 109.255 179.548 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.854 HG21 HG21 ' A' ' 80' ' ' VAL . 0.1 OUTLIER -82.33 -52.41 13.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.536 -0.727 . . . . 0.0 110.909 -179.259 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -72.96 3.93 4.79 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.312 -0.868 . . . . 0.0 111.494 -178.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.551 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 55.4 t30 -119.95 -73.92 0.63 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.761 -1.212 . . . . 0.0 110.175 -179.638 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.514 ' HB3' ' HB3' ' B' ' 3' ' ' LEU . 4.2 mp0 -63.77 -41.99 97.88 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.063 -1.023 . . . . 0.0 109.778 -179.507 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.487 ' O ' ' C ' ' A' ' 41' ' ' SER . 2.2 tt -75.24 -89.1 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.189 -0.945 . . . . 0.0 109.313 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.487 ' C ' ' O ' ' A' ' 40' ' ' LEU . 5.6 t 31.56 95.23 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.342 -0.849 . . . . 0.0 111.047 179.316 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -172.69 -56.4 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.878 -1.139 . . . . 0.0 109.854 179.641 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.412 ' O ' ' HG3' ' A' ' 45' ' ' GLU . 6.3 m-85 -82.96 -2.2 54.51 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.199 -0.938 . . . . 0.0 109.708 -179.742 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.04 99.79 2.36 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.158 -0.964 . . . . 0.0 109.567 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 43' ' ' PHE . 1.4 mt-10 -127.94 -62.7 1.05 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.273 -0.892 . . . . 0.0 109.138 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.453 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 9.7 pt-20 -117.74 -27.27 6.29 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.423 -0.798 . . . . 0.0 109.192 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.453 ' HB ' ' O ' ' A' ' 46' ' ' GLU . 3.1 mt 65.86 113.88 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.366 -0.834 . . . . 0.0 109.679 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.37 -42.37 10.96 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.174 -0.954 . . . . 0.0 109.189 179.693 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.712 ' OE1' HG23 ' A' ' 52' ' ' VAL . 13.6 mm-40 -88.08 62.67 6.92 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.291 -0.88 . . . . 0.0 109.352 179.628 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.46 ' O ' ' HB2' ' A' ' 54' ' ' ASP . 34.6 tt0 -49.27 -22.9 1.17 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.179 -0.951 . . . . 0.0 109.534 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -78.79 -41.67 29.81 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.249 -0.907 . . . . 0.0 109.701 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.712 HG23 ' OE1' ' A' ' 49' ' ' GLU . 77.0 t -61.82 -55.07 26.68 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.167 -0.958 . . . . 0.0 109.667 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.445 ' O ' ' HB2' ' A' ' 57' ' ' MET . 81.1 t -66.39 -27.67 41.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.333 -0.854 . . . . 0.0 109.644 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.5 ' O ' ' HG3' ' A' ' 58' ' ' GLU . 50.8 m-20 -75.7 -22.99 56.12 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.11 -0.993 . . . . 0.0 109.078 179.777 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.34 -51.59 9.22 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.302 -0.874 . . . . 0.0 109.762 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.812 HG21 ' CG1' ' A' ' 80' ' ' VAL . 12.0 m -70.5 -39.77 76.62 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.354 0 O-C-N 121.164 -0.96 . . . . 0.0 109.213 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.445 ' HB2' ' O ' ' A' ' 53' ' ' VAL . 26.2 tpp -68.6 -26.99 65.65 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.451 -0.781 . . . . 0.0 109.122 179.537 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.5 ' HG3' ' O ' ' A' ' 54' ' ' ASP . 0.7 OUTLIER -73.11 -50.21 24.11 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.164 -0.96 . . . . 0.0 109.117 179.69 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 25.1 m -65.52 -24.11 67.04 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 179.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.592 HD22 ' HB2' ' A' ' 33' ' ' LYS . 10.5 mt -70.2 -52.77 20.78 Favored 'General case' 0 N--CA 1.487 1.388 0 CA-C-O 121.432 0.634 . . . . 0.0 109.7 179.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.77 -15.22 60.29 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.434 -0.791 . . . . 0.0 110.078 -179.525 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -79.05 -35.21 42.91 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.003 -1.061 . . . . 0.0 109.717 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.445 ' O ' ' HB2' ' A' ' 29' ' ' LYS . 6.1 m-20 -139.59 47.91 1.85 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.232 -0.917 . . . . 0.0 109.7 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.425 ' O ' ' HB2' ' A' ' 30' ' ' SER . . . -47.98 -25.88 4.06 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.388 -1.485 . . . . 0.0 109.388 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -101.67 44.46 1.01 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.389 -1.066 . . . . 0.0 109.431 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.462 ' O ' ' HG2' ' A' ' 28' ' ' LYS . . . -114.09 -168.56 16.39 Favored Glycine 0 N--CA 1.487 2.057 0 N-CA-C 109.65 -1.38 . . . . 0.0 109.65 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -122.39 134.68 54.61 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.235 -1.156 . . . . 0.0 109.544 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -122.41 161.84 22.74 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.275 -0.89 . . . . 0.0 109.431 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -96.79 165.21 12.23 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.232 -0.917 . . . . 0.0 109.151 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.614 ' HB3' ' CE2' ' A' ' 14' ' ' PHE . 35.5 p90 -63.97 -46.71 83.44 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.02 -1.05 . . . . 0.0 109.08 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.581 ' N ' ' CG ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -65.71 -25.72 67.44 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.243 -0.91 . . . . 0.0 109.027 179.745 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.525 ' N ' ' HG3' ' A' ' 71' ' ' GLN . 0.7 OUTLIER -70.77 -68.63 0.42 Allowed 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 179.253 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.639 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -48.49 -28.5 3.37 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 178.811 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.969 ' SD ' HD11 ' A' ' 10' ' ' LEU . 49.3 mmm -64.87 -57.64 8.29 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.479 -0.763 . . . . 0.0 109.696 -179.672 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.505 ' O ' ' HG3' ' A' ' 79' ' ' MET . . . -61.73 -23.14 65.95 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.251 -0.906 . . . . 0.0 109.051 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.59 ' CZ ' HG12 ' A' ' 56' ' ' VAL . 1.1 m-85 -75.34 -32.44 60.9 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 179.551 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.708 HG12 ' CE ' ' B' ' 7' ' ' MET . 65.4 t -69.52 -26.16 30.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.545 -0.722 . . . . 0.0 109.191 179.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.466 ' O ' HG23 ' A' ' 82' ' ' THR . 24.4 p -78.77 -55.2 5.35 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.314 -0.866 . . . . 0.0 110.312 -179.582 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.659 ' HB3' HG13 ' A' ' 52' ' ' VAL . 1.1 mtt -49.01 -49.05 42.86 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.18 -0.95 . . . . 0.0 109.481 -179.395 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.854 HG21 HG21 ' A' ' 36' ' ' ILE . 33.3 m -68.98 -48.04 72.29 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 O-C-N 121.45 -0.781 . . . . 0.0 110.279 -179.174 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.799 HG21 HD11 ' B' ' 11' ' ' ILE . 26.0 m -68.15 -6.11 21.53 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.106 -0.996 . . . . 0.0 109.834 -179.729 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.466 HG23 ' O ' ' A' ' 78' ' ' SER . 81.3 p -119.31 -9.34 9.94 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.117 -0.989 . . . . 0.0 109.622 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.438 ' CB ' HG23 ' A' ' 53' ' ' VAL . . . -70.69 -59.3 2.9 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.286 -0.884 . . . . 0.0 109.665 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 47' ' ' ILE . 0.1 OUTLIER -44.99 154.06 0.16 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.334 -0.854 . . . . 0.0 109.642 -179.808 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.59 149.31 48.3 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.236 -0.915 . . . . 0.0 109.441 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 65.16 -178.41 0.18 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.185 -0.947 . . . . 0.0 109.238 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.688 ' CD1' ' CZ ' ' A' ' 88' ' ' PHE . 0.1 OUTLIER -154.24 -37.84 0.09 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.296 -0.877 . . . . 0.0 109.779 179.686 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.688 ' CZ ' ' CD1' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -130.21 47.75 2.48 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.826 -1.171 . . . . 0.0 109.796 179.107 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.558 ' C ' ' CD2' ' A' ' 90' ' ' HIS . 2.2 tt0 -91.82 -58.19 2.49 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.998 -1.063 . . . . 0.0 109.44 179.569 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.558 ' CD2' ' C ' ' A' ' 89' ' ' GLU . 2.3 p80 40.43 84.42 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.666 -0.647 . . . . 0.0 109.657 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.517 0 CA-C-O 117.917 -1.039 . . . . 0.0 109.272 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . 0.485 ' O ' ' CG ' ' B' ' 0' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.473 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . 0.424 ' O ' ' HB2' ' B' ' 5' ' ' LYS . 20.3 p -89.17 -175.55 4.83 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.305 -0.872 . . . . 0.0 109.463 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.699 ' HB3' HG22 ' A' ' 13' ' ' VAL . 8.3 tt0 -80.18 -38.89 30.36 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.299 -0.875 . . . . 0.0 110.035 -179.582 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 1.047 ' CD1' HD23 ' A' ' 10' ' ' LEU . 16.4 tp -78.41 -52.4 8.62 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.159 -0.963 . . . . 0.0 109.986 -179.475 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.532 ' O ' ' CG2' ' B' ' 8' ' ' VAL . 3.6 tm-20 -55.84 -34.29 65.27 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 121.175 -0.953 . . . . 0.0 110.116 -179.059 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.424 ' HB2' ' O ' ' B' ' 1' ' ' SER . 11.1 tptt -80.6 -51.36 8.83 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.936 -1.103 . . . . 0.0 110.205 -179.519 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.648 ' HB1' ' HB3' ' A' ' 9' ' ' ALA . . . -73.46 -62.25 1.55 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.99 -1.069 . . . . 0.0 110.221 -179.438 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . 0.708 ' CE ' HG12 ' A' ' 77' ' ' VAL . 13.9 tpt -45.5 -47.41 14.16 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.458 -0.776 . . . . 0.0 109.772 -179.435 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.532 ' CG2' ' O ' ' B' ' 4' ' ' GLU . 40.2 t -71.95 -30.51 37.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.412 -0.805 . . . . 0.0 109.982 -179.549 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.661 ' HB3' ' HB1' ' A' ' 6' ' ' ALA . . . -60.26 -54.55 44.4 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.067 -1.021 . . . . 0.0 109.549 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 1.076 HD13 ' N ' ' B' ' 11' ' ' ILE . 0.0 OUTLIER -52.2 -41.29 62.56 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.244 -0.91 . . . . 0.0 108.688 179.946 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 1.076 ' N ' HD13 ' B' ' 10' ' ' LEU . 0.5 OUTLIER -63.05 -35.65 72.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.061 -1.024 . . . . 0.0 108.4 179.731 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -56.71 -44.31 81.45 Favored 'General case' 0 C--N 1.306 -1.322 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 178.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.733 HG22 ' HB3' ' A' ' 2' ' ' GLU . 14.0 t -47.35 -43.07 8.02 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 178.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.616 ' CE2' ' HB3' ' B' ' 70' ' ' PHE . 77.6 t80 -47.94 -49.7 29.4 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.389 -0.819 . . . . 0.0 108.826 179.405 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . 0.517 ' HB2' ' CE2' ' A' ' 88' ' ' PHE . 32.7 t-80 -60.46 -36.04 77.29 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.318 -0.864 . . . . 0.0 109.367 179.737 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -54.66 -52.77 61.29 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.167 -0.958 . . . . 0.0 109.402 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.591 ' CD2' HD21 ' B' ' 35' ' ' LEU . 83.6 m-85 -87.96 0.01 56.44 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.373 -0.829 . . . . 0.0 109.464 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 3.0 t -129.85 26.79 5.24 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.249 -0.907 . . . . 0.0 109.346 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' B' ' 15' ' ' HIS . . . -130.07 -1.39 5.36 Favored Glycine 0 N--CA 1.486 2.023 0 N-CA-C 109.78 -1.328 . . . . 0.0 109.78 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' B' ' 19' ' ' GLY . 1.1 mtp85 -43.74 -88.03 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.154 -1.203 . . . . 0.0 109.383 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -122.59 -80.88 0.63 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.317 -0.864 . . . . 0.0 109.185 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . 0.523 ' O ' ' C ' ' B' ' 23' ' ' ASP . . . -80.25 -145.3 3.87 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.265 -1.534 . . . . 0.0 109.265 179.74 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.523 ' C ' ' O ' ' B' ' 22' ' ' GLY . 0.4 OUTLIER 26.89 72.0 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.495 0 O-C-N 122.113 -0.64 . . . . 0.0 110.883 179.236 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.594 ' HB3' ' CE1' ' B' ' 25' ' ' HIS . 7.5 ttpt -83.1 -13.3 55.95 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.275 -0.89 . . . . 0.0 109.539 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . 0.594 ' CE1' ' HB3' ' B' ' 24' ' ' LYS . 0.0 OUTLIER -146.26 28.63 1.09 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.146 -0.971 . . . . 0.0 109.233 -179.869 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.433 ' O ' ' HB3' ' B' ' 23' ' ' ASP . 0.0 OUTLIER -146.99 128.31 14.85 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.276 -0.89 . . . . 0.0 109.663 -179.88 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.598 HD22 ' HB3' ' B' ' 31' ' ' GLU . 1.6 mt -111.23 -157.54 0.62 Allowed 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.339 -0.85 . . . . 0.0 108.913 179.743 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.456 ' HG2' ' O ' ' B' ' 66' ' ' GLY . 14.3 mtpt -141.15 173.72 11.22 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.988 -1.07 . . . . 0.0 109.588 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.442 ' HB2' ' O ' ' B' ' 63' ' ' ASP . 4.7 mmtt -74.34 -31.77 62.55 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.319 -0.863 . . . . 0.0 109.71 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.426 ' HB2' ' O ' ' B' ' 64' ' ' GLY . 47.1 t -73.5 -26.44 60.89 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.15 -0.969 . . . . 0.0 109.509 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.598 ' HB3' HD22 ' B' ' 27' ' ' LEU . 1.2 tt0 -87.3 -19.9 27.59 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.048 -1.032 . . . . 0.0 108.492 179.358 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.532 HD21 ' CD2' ' B' ' 76' ' ' PHE . 10.4 tp -80.96 -37.95 28.55 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 178.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.6 ' HB2' HD22 ' B' ' 60' ' ' LEU . 0.2 OUTLIER -63.67 -36.77 84.95 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 179.179 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.547 ' O ' ' CB ' ' B' ' 38' ' ' ASN . 9.5 pt-20 -78.59 -38.34 40.26 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 179.567 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 1.044 ' CD1' HD22 ' A' ' 3' ' ' LEU . 0.2 OUTLIER -48.13 -49.82 30.83 Favored 'General case' 0 C--N 1.293 -1.854 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.591 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.86 HG21 HG21 ' B' ' 80' ' ' VAL . 0.1 OUTLIER -82.36 -52.27 13.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.53 -0.731 . . . . 0.0 110.975 -179.35 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -73.03 3.83 4.98 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.252 -0.905 . . . . 0.0 111.53 -178.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.547 ' CB ' ' O ' ' B' ' 34' ' ' GLU . 55.2 t30 -119.89 -73.9 0.63 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.731 -1.231 . . . . 0.0 110.198 -179.589 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.543 ' HB3' ' HB3' ' A' ' 3' ' ' LEU . 4.2 mp0 -63.67 -42.13 98.09 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.083 -1.011 . . . . 0.0 109.81 -179.575 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.499 ' O ' ' C ' ' B' ' 41' ' ' SER . 2.3 tt -75.19 -89.04 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.105 -0.997 . . . . 0.0 109.357 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.499 ' C ' ' O ' ' B' ' 40' ' ' LEU . 5.6 t 31.49 95.24 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.34 -0.85 . . . . 0.0 111.015 179.24 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -172.64 -56.45 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.936 -1.103 . . . . 0.0 109.898 179.613 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . 0.415 ' O ' ' HG3' ' B' ' 45' ' ' GLU . 6.2 m-85 -82.93 -2.17 54.27 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.204 -0.935 . . . . 0.0 109.745 -179.762 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.11 99.78 2.39 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.115 -0.99 . . . . 0.0 109.553 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' B' ' 43' ' ' PHE . 1.4 mt-10 -127.92 -62.64 1.05 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.363 -0.836 . . . . 0.0 109.221 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.45 ' O ' ' HB ' ' B' ' 47' ' ' ILE . 9.6 pt-20 -117.76 -27.26 6.29 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.504 -0.747 . . . . 0.0 109.279 179.749 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.462 ' HA ' ' HA ' ' B' ' 84' ' ' CYS . 3.1 mt 65.86 113.82 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.331 -0.856 . . . . 0.0 109.696 179.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.27 -42.47 10.97 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.138 -0.976 . . . . 0.0 109.179 179.709 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.724 ' OE1' HG23 ' B' ' 52' ' ' VAL . 13.5 mm-40 -88.07 62.65 6.91 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.28 -0.887 . . . . 0.0 109.251 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . 0.457 ' O ' ' HB2' ' B' ' 54' ' ' ASP . 34.6 tt0 -49.18 -22.95 1.11 Allowed 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.285 -0.884 . . . . 0.0 109.575 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -78.75 -41.73 29.95 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.288 -0.882 . . . . 0.0 109.679 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.724 HG23 ' OE1' ' B' ' 49' ' ' GLU . 78.0 t -61.89 -54.98 27.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.133 -0.98 . . . . 0.0 109.66 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.462 ' O ' ' HB2' ' B' ' 57' ' ' MET . 80.9 t -66.55 -27.51 40.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.21 -0.931 . . . . 0.0 109.683 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . 0.49 ' O ' ' HG3' ' B' ' 58' ' ' GLU . 51.0 m-20 -75.76 -23.05 55.94 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.107 -0.996 . . . . 0.0 109.073 179.695 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.23 -51.73 9.09 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.209 -0.932 . . . . 0.0 109.733 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.824 HG21 ' CG1' ' B' ' 80' ' ' VAL . 12.0 m -70.39 -39.95 77.07 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 O-C-N 121.014 -1.054 . . . . 0.0 109.167 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.462 ' HB2' ' O ' ' B' ' 53' ' ' VAL . 26.2 tpp -68.5 -27.11 65.84 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.454 -0.779 . . . . 0.0 109.049 179.589 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . 0.49 ' HG3' ' O ' ' B' ' 54' ' ' ASP . 0.7 OUTLIER -73.03 -50.29 23.91 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.155 -0.966 . . . . 0.0 109.135 179.704 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 24.8 m -65.4 -24.1 67.12 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.082 -1.012 . . . . 0.0 108.343 179.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.6 HD22 ' HB2' ' B' ' 33' ' ' LYS . 10.5 mt -70.27 -52.75 20.6 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.672 -0.643 . . . . 0.0 109.675 179.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.81 -15.2 60.28 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.433 -0.792 . . . . 0.0 110.014 -179.478 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -79.03 -35.28 42.94 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.053 -1.029 . . . . 0.0 109.676 -179.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.442 ' O ' ' HB2' ' B' ' 29' ' ' LYS . 6.1 m-20 -139.54 48.04 1.85 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.245 -0.909 . . . . 0.0 109.666 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . 0.426 ' O ' ' HB2' ' B' ' 30' ' ' SER . . . -48.04 -25.94 4.18 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.399 -1.48 . . . . 0.0 109.399 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -101.6 44.38 1.02 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.348 -1.089 . . . . 0.0 109.426 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.456 ' O ' ' HG2' ' B' ' 28' ' ' LYS . . . -114.0 -168.6 16.47 Favored Glycine 0 N--CA 1.487 2.055 0 N-CA-C 109.691 -1.364 . . . . 0.0 109.691 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -122.38 134.65 54.62 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.362 -1.081 . . . . 0.0 109.508 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -122.37 161.79 22.78 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.31 -0.868 . . . . 0.0 109.463 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -96.71 165.17 12.26 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.231 -0.918 . . . . 0.0 109.07 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.616 ' HB3' ' CE2' ' B' ' 14' ' ' PHE . 35.3 p90 -64.01 -46.58 83.87 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.036 -1.04 . . . . 0.0 109.133 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.594 ' N ' ' CG ' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -65.74 -25.74 67.42 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.254 -0.904 . . . . 0.0 109.07 179.674 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.52 ' N ' ' HG3' ' B' ' 71' ' ' GLN . 0.7 OUTLIER -70.66 -68.65 0.42 Allowed 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 179.231 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.644 ' O ' HG23 ' B' ' 77' ' ' VAL . 0.0 OUTLIER -48.44 -28.48 3.31 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 178.832 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.98 ' SD ' HD11 ' B' ' 10' ' ' LEU . 49.6 mmm -64.86 -57.73 8.06 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.488 -0.758 . . . . 0.0 109.714 -179.663 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.507 ' O ' ' HG3' ' B' ' 79' ' ' MET . . . -61.77 -22.98 65.89 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.139 -0.976 . . . . 0.0 109.055 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.588 ' CZ ' HG12 ' B' ' 56' ' ' VAL . 1.1 m-85 -75.4 -32.45 60.75 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 179.505 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.721 HG12 ' CE ' ' A' ' 7' ' ' MET . 65.3 t -69.55 -26.01 30.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.51 -0.744 . . . . 0.0 109.195 179.612 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . 0.451 ' O ' HG23 ' B' ' 82' ' ' THR . 24.4 p -78.87 -55.19 5.34 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.397 -0.814 . . . . 0.0 110.297 -179.602 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . 0.661 ' HB3' HG13 ' B' ' 52' ' ' VAL . 1.1 mtt -49.02 -48.95 43.29 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.144 -0.973 . . . . 0.0 109.471 -179.334 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.86 HG21 HG21 ' B' ' 36' ' ' ILE . 33.3 m -69.03 -47.99 72.28 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.417 0 O-C-N 121.379 -0.825 . . . . 0.0 110.342 -179.139 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.831 HG21 HD11 ' A' ' 11' ' ' ILE . 25.9 m -68.12 -6.12 21.38 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.052 -1.03 . . . . 0.0 109.87 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.451 HG23 ' O ' ' B' ' 78' ' ' SER . 81.5 p -119.31 -9.28 9.95 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.115 -0.991 . . . . 0.0 109.654 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.437 ' CB ' HG23 ' B' ' 53' ' ' VAL . . . -70.74 -59.3 2.89 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.147 -0.971 . . . . 0.0 109.665 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' B' ' 47' ' ' ILE . 0.1 OUTLIER -44.83 154.12 0.15 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.347 -0.845 . . . . 0.0 109.653 -179.875 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.73 149.34 48.11 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.228 -0.92 . . . . 0.0 109.334 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 65.13 -178.5 0.18 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.299 -0.876 . . . . 0.0 109.287 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . 0.688 ' CD1' ' CZ ' ' B' ' 88' ' ' PHE . 0.1 OUTLIER -154.21 -37.79 0.09 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.342 -0.849 . . . . 0.0 109.776 179.748 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.688 ' CZ ' ' CD1' ' B' ' 87' ' ' PHE . 0.0 OUTLIER -130.26 47.75 2.48 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.916 -1.115 . . . . 0.0 109.744 179.169 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.553 ' C ' ' CD2' ' B' ' 90' ' ' HIS . 2.2 tt0 -91.88 -58.24 2.47 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.944 -1.098 . . . . 0.0 109.429 179.609 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . 0.553 ' CD2' ' C ' ' B' ' 89' ' ' GLU . 2.3 p80 40.48 84.36 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.602 -0.686 . . . . 0.0 109.685 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 117.876 -1.059 . . . . 0.0 109.328 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 4.1 ptm . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 90.9 p -104.0 -174.12 2.47 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.187 -0.946 . . . . 0.0 109.513 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.915 ' HB3' HG22 ' B' ' 13' ' ' VAL . 0.6 OUTLIER -72.72 -47.47 46.77 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.292 -0.88 . . . . 0.0 109.596 -179.844 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.881 HD23 ' HB3' ' B' ' 39' ' ' GLU . 16.6 tp -71.77 -47.97 49.92 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.276 -0.89 . . . . 0.0 109.672 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.563 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 56.3 tt0 -54.13 -49.28 69.56 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.258 -0.901 . . . . 0.0 110.251 -179.18 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.69 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 21.1 mtpp -64.79 -38.85 92.36 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 120.578 -1.326 . . . . 0.0 110.709 -178.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.681 ' HB2' ' CB ' ' B' ' 9' ' ' ALA . . . -80.11 -71.13 0.47 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.937 -1.102 . . . . 0.0 110.237 -179.409 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.953 ' SD ' HG12 ' B' ' 77' ' ' VAL . 8.2 tpt -44.56 -47.43 10.24 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.406 -0.809 . . . . 0.0 110.22 -179.435 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.563 ' CG2' ' O ' ' A' ' 4' ' ' GLU . 11.1 t -70.03 -32.98 53.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.194 -0.941 . . . . 0.0 109.709 -179.45 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.691 ' CB ' ' HB2' ' B' ' 6' ' ' ALA . . . -62.81 -31.42 72.41 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.119 -0.988 . . . . 0.0 109.115 179.505 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.478 ' N ' ' HB1' ' B' ' 6' ' ' ALA . 0.4 OUTLIER -65.15 -48.57 73.07 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.262 -0.898 . . . . 0.0 108.791 179.679 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.67 HD11 ' CG2' ' B' ' 81' ' ' THR . 1.5 mp -53.83 -31.64 20.77 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.416 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -59.71 -51.62 69.0 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.324 -0.86 . . . . 0.0 109.008 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.916 HG22 ' HB3' ' B' ' 2' ' ' GLU . 48.3 t -49.04 -33.93 6.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.369 -0.832 . . . . 0.0 109.343 179.655 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.559 ' CZ ' HD23 ' A' ' 27' ' ' LEU . 9.9 t80 -58.85 -47.33 85.26 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.378 -0.826 . . . . 0.0 109.892 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 23.9 t-80 -79.93 -2.32 43.29 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.23 -0.919 . . . . 0.0 109.782 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.415 ' HB2' ' HA ' ' A' ' 13' ' ' VAL . 1.8 mm-40 -87.62 -20.96 25.64 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.166 -0.959 . . . . 0.0 109.663 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -117.65 -32.32 4.9 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.284 -0.885 . . . . 0.0 109.799 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.19 -40.85 74.37 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.239 -0.913 . . . . 0.0 109.616 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.425 ' O ' ' N ' ' A' ' 21' ' ' GLU . . . -50.62 -40.41 40.15 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.756 -1.338 . . . . 0.0 109.756 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.528 ' O ' ' CG ' ' A' ' 21' ' ' GLU . 43.7 mtp85 -55.04 92.72 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.044 -1.268 . . . . 0.0 109.631 -179.713 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.528 ' CG ' ' O ' ' A' ' 20' ' ' ARG . 10.8 pt-20 41.47 -157.07 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.469 -0.769 . . . . 0.0 109.829 179.735 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.45 ' N ' ' HG3' ' A' ' 21' ' ' GLU . . . 93.05 -156.43 22.87 Favored Glycine 0 N--CA 1.489 2.2 0 N-CA-C 109.343 -1.503 . . . . 0.0 109.343 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.509 ' HB3' ' HG2' ' A' ' 26' ' ' LYS . 5.7 t70 -96.57 -88.62 0.28 Allowed 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.234 -1.156 . . . . 0.0 109.445 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.471 ' N ' ' OD1' ' A' ' 23' ' ' ASP . 3.6 tttt 178.77 135.9 0.09 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.159 -0.963 . . . . 0.0 110.067 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 47.29 42.57 13.88 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.441 -0.787 . . . . 0.0 109.956 179.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.509 ' HG2' ' HB3' ' A' ' 23' ' ' ASP . 0.0 OUTLIER -150.49 131.63 14.44 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.07 -1.019 . . . . 0.0 109.686 179.786 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.559 HD23 ' CZ ' ' A' ' 14' ' ' PHE . 0.5 OUTLIER -98.88 -160.74 0.82 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.263 -0.898 . . . . 0.0 109.346 179.809 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.407 ' O ' ' CB ' ' A' ' 32' ' ' LEU . 2.2 mtmt -149.16 -175.63 5.05 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.117 -0.989 . . . . 0.0 109.568 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.454 ' HB2' ' C ' ' A' ' 64' ' ' GLY . 30.6 mmtt -92.09 -22.1 20.09 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.271 -0.893 . . . . 0.0 109.457 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.8 t -80.25 -44.24 20.01 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.105 -0.997 . . . . 0.0 109.113 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.486 ' O ' ' HG3' ' A' ' 34' ' ' GLU . 1.1 tp10 -77.81 -23.94 48.92 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 179.152 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.514 ' O ' HG13 ' A' ' 36' ' ' ILE . 10.7 tp -75.98 -40.59 53.52 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 178.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.56 ' HB2' HD22 ' A' ' 60' ' ' LEU . 8.7 tmtt? -58.96 -45.58 90.18 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 179.041 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.549 ' HG3' ' N ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -69.91 -32.77 71.25 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 179.359 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.797 ' CD1' HD22 ' B' ' 3' ' ' LEU . 0.2 OUTLIER -57.0 -42.23 79.92 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-O 121.343 0.592 . . . . 0.0 109.422 179.817 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.832 HG23 HD23 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -74.28 -55.23 12.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.29 -0.882 . . . . 0.0 109.28 179.928 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.487 ' HA ' ' HB2' ' A' ' 41' ' ' SER . 53.6 t-20 -69.95 -1.45 9.7 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.21 -0.931 . . . . 0.0 110.175 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.536 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 9.9 t30 -87.87 -37.89 16.11 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.077 -1.014 . . . . 0.0 109.385 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.857 ' HB3' HD23 ' B' ' 3' ' ' LEU . 6.9 tp10 -130.57 -37.84 1.36 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.377 -0.827 . . . . 0.0 109.26 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.879 HD21 HG13 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -71.36 -2.97 18.22 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.216 -0.928 . . . . 0.0 109.934 -179.429 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.487 ' HB2' ' HA ' ' A' ' 37' ' ' ASN . 32.1 t -80.28 -13.56 59.1 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.163 -0.96 . . . . 0.0 109.394 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -61.92 -25.35 67.53 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.299 -0.876 . . . . 0.0 109.696 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.443 ' HB2' ' SG ' ' A' ' 84' ' ' CYS . 1.3 m-85 -113.41 58.12 0.67 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.229 -0.92 . . . . 0.0 109.587 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.09 63.55 1.24 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.206 -0.934 . . . . 0.0 109.593 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -124.92 -35.36 2.69 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.275 -0.891 . . . . 0.0 109.386 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.433 ' O ' ' O ' ' A' ' 47' ' ' ILE . 3.5 mm-40 -122.65 -40.78 2.42 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.436 -0.79 . . . . 0.0 109.277 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.433 ' O ' ' O ' ' A' ' 46' ' ' GLU . 24.2 mt 61.54 121.83 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.367 -0.833 . . . . 0.0 109.506 179.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.583 ' HG3' ' CD2' ' A' ' 85' ' ' HIS . 2.9 tttt -96.96 -56.24 2.62 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.205 -0.935 . . . . 0.0 109.467 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.469 ' HB3' ' CG2' ' A' ' 52' ' ' VAL . 1.1 mm-40 -87.85 80.55 7.8 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.225 -0.922 . . . . 0.0 109.404 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.509 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 15.7 tm0? -59.07 -22.68 61.15 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.212 -0.93 . . . . 0.0 109.642 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -79.57 -38.03 35.02 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.306 -0.871 . . . . 0.0 109.44 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.469 ' CG2' ' HB3' ' A' ' 49' ' ' GLU . 95.7 t -64.34 -57.78 10.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.206 -0.934 . . . . 0.0 109.511 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.477 HG22 HG12 ' A' ' 80' ' ' VAL . 92.7 t -65.51 -29.47 47.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.227 -0.921 . . . . 0.0 109.485 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.509 ' CB ' ' O ' ' A' ' 50' ' ' GLN . 50.1 t0 -74.14 -22.92 59.25 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.184 -0.948 . . . . 0.0 108.941 179.745 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.25 -52.83 7.26 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.392 -0.818 . . . . 0.0 109.677 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.591 HG23 ' N ' ' A' ' 57' ' ' MET . 31.5 m -65.04 -48.17 85.0 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 O-C-N 121.1 -1.0 . . . . 0.0 109.313 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.591 ' N ' HG23 ' A' ' 56' ' ' VAL . 55.0 tpp -62.39 -22.73 66.37 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.224 -0.923 . . . . 0.0 108.848 179.279 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.452 ' HG3' ' O ' ' A' ' 54' ' ' ASP . 3.5 mt-10 -72.33 -55.5 7.02 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.462 -0.774 . . . . 0.0 109.585 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.51 -29.41 69.98 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.045 -1.035 . . . . 0.0 108.326 179.421 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.56 HD22 ' HB2' ' A' ' 33' ' ' LYS . 9.8 mt -63.58 -53.52 50.49 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 179.433 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.97 -5.72 56.21 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.547 -0.721 . . . . 0.0 109.39 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -72.24 -28.59 63.25 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.327 -0.858 . . . . 0.0 109.324 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -145.01 -58.69 0.35 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.312 -0.868 . . . . 0.0 109.825 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.454 ' C ' ' HB2' ' A' ' 29' ' ' LYS . . . 79.95 -6.96 57.69 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.731 -1.348 . . . . 0.0 109.731 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -130.39 23.58 5.15 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.252 -1.146 . . . . 0.0 109.389 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.425 ' H ' ' CG ' ' A' ' 29' ' ' LYS . . . -89.98 178.95 43.88 Favored Glycine 0 N--CA 1.49 2.235 0 N-CA-C 109.594 -1.402 . . . . 0.0 109.594 -179.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -106.73 140.52 39.44 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.261 -1.141 . . . . 0.0 109.466 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.3 m -115.91 157.67 24.16 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.283 -0.885 . . . . 0.0 109.509 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -101.3 -163.07 0.98 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.203 -0.936 . . . . 0.0 109.298 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.61 ' CD2' ' HG3' ' A' ' 71' ' ' GLN . 1.3 p90 -88.04 -47.53 8.45 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.218 -0.926 . . . . 0.0 109.239 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.61 ' HG3' ' CD2' ' A' ' 70' ' ' PHE . 7.5 mt-30 -70.99 -16.36 62.63 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.183 -0.948 . . . . 0.0 109.093 179.626 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.65 -59.41 2.69 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.343 -0.848 . . . . 0.0 109.054 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.58 ' O ' ' CD1' ' A' ' 73' ' ' PHE . 1.7 t80 -63.27 -19.55 64.67 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.258 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.566 ' HE2' ' HB3' ' B' ' 78' ' ' SER . 7.7 mmm -79.98 -52.44 7.84 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.285 -0.884 . . . . 0.0 109.021 179.711 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.499 ' O ' ' HG3' ' A' ' 79' ' ' MET . . . -68.65 -16.04 63.71 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.209 -0.932 . . . . 0.0 108.856 179.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.658 ' O ' HG22 ' A' ' 80' ' ' VAL . 1.7 m-85 -78.2 -37.69 45.02 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.475 -0.766 . . . . 0.0 109.304 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.957 HG12 ' SD ' ' B' ' 7' ' ' MET . 78.2 t -75.33 -30.34 22.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.431 -0.793 . . . . 0.0 109.755 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.57 ' HB3' ' HE2' ' B' ' 74' ' ' MET . 37.9 m -77.13 -38.22 52.48 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.15 -0.969 . . . . 0.0 110.253 -179.455 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.499 ' HG3' ' O ' ' A' ' 75' ' ' ALA . 1.2 mmm -60.67 -50.44 73.49 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.055 -1.028 . . . . 0.0 110.395 -179.468 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.781 HG21 HG23 ' A' ' 36' ' ' ILE . 1.7 m -68.25 -36.2 74.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.122 -0.986 . . . . 0.0 110.487 -179.005 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.706 ' CG2' HD11 ' B' ' 11' ' ' ILE . 10.4 m -67.75 -7.79 30.25 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.989 -1.069 . . . . 0.0 110.134 -179.318 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.499 ' HB ' ' HG2' ' B' ' 71' ' ' GLN . 27.0 p -120.78 -10.54 9.14 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.914 -1.116 . . . . 0.0 109.614 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -90.93 47.45 1.41 Allowed 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.158 -0.964 . . . . 0.0 109.396 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.443 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 5.1 m -132.29 138.55 47.88 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.368 -0.833 . . . . 0.0 109.624 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.583 ' CD2' ' HG3' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -64.56 -64.08 0.97 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.297 -0.877 . . . . 0.0 109.413 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -84.34 103.68 13.72 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.27 -0.894 . . . . 0.0 109.621 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.667 ' CE2' ' CD1' ' A' ' 88' ' ' PHE . 0.1 OUTLIER -158.66 -167.04 2.03 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.399 -0.813 . . . . 0.0 109.038 179.744 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.667 ' CD1' ' CE2' ' A' ' 87' ' ' PHE . 2.1 m-30 64.53 47.67 2.88 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.171 -0.956 . . . . 0.0 108.436 -179.315 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.482 ' C ' ' O ' ' A' ' 88' ' ' PHE . 2.9 tt0 -30.05 89.58 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.72 0 CA-C-O 121.438 0.637 . . . . 0.0 110.939 -179.464 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.537 ' N ' ' O ' ' A' ' 88' ' ' PHE . 19.9 p80 -116.56 13.66 15.36 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.301 -0.874 . . . . 0.0 109.51 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 . . . . . 0 N--CA 1.488 1.458 0 CA-C-O 117.912 -1.042 . . . . 0.0 109.519 179.877 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 4.0 ptm . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 91.2 p -104.04 -174.11 2.47 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.323 -0.86 . . . . 0.0 109.399 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.916 ' HB3' HG22 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -72.7 -47.38 47.74 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.276 -0.89 . . . . 0.0 109.591 -179.835 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.857 HD23 ' HB3' ' A' ' 39' ' ' GLU . 16.7 tp -71.78 -48.08 49.05 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.243 -0.911 . . . . 0.0 109.693 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.563 ' O ' ' CG2' ' B' ' 8' ' ' VAL . 56.1 tt0 -54.21 -49.07 70.26 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 121.285 -0.885 . . . . 0.0 110.277 -179.115 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.681 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 21.0 mtpp -64.79 -38.85 92.38 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 120.733 -1.229 . . . . 0.0 110.721 -179.023 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.691 ' HB2' ' CB ' ' A' ' 9' ' ' ALA . . . -80.19 -71.08 0.47 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.847 -1.158 . . . . 0.0 110.205 -179.373 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . 0.957 ' SD ' HG12 ' A' ' 77' ' ' VAL . 8.2 tpt -44.68 -47.31 10.58 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.408 -0.808 . . . . 0.0 110.251 -179.365 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.563 ' CG2' ' O ' ' B' ' 4' ' ' GLU . 11.3 t -70.14 -32.96 52.84 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.531 0 O-C-N 121.196 -0.94 . . . . 0.0 109.681 -179.466 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.681 ' CB ' ' HB2' ' A' ' 6' ' ' ALA . . . -62.75 -31.38 72.31 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.162 -0.961 . . . . 0.0 109.095 179.46 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.506 HD13 ' HE1' ' B' ' 74' ' ' MET . 0.4 OUTLIER -65.28 -48.47 73.08 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.237 -0.914 . . . . 0.0 108.835 179.712 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.706 HD11 ' CG2' ' A' ' 81' ' ' THR . 1.5 mp -53.83 -31.6 20.72 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 O-C-N 121.23 -0.919 . . . . 0.0 108.641 179.363 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -59.7 -51.66 68.83 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.406 -0.809 . . . . 0.0 109.028 179.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.915 HG22 ' HB3' ' A' ' 2' ' ' GLU . 48.4 t -49.04 -33.93 6.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.366 -0.834 . . . . 0.0 109.29 179.655 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.556 ' CZ ' HD23 ' B' ' 27' ' ' LEU . 10.1 t80 -58.92 -47.24 85.74 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.303 -0.873 . . . . 0.0 109.847 -179.743 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 23.9 t-80 -79.99 -2.44 44.05 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.192 -0.943 . . . . 0.0 109.726 -179.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.412 ' HB2' ' HA ' ' B' ' 13' ' ' VAL . 1.8 mm-40 -87.4 -21.05 25.86 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.153 -0.967 . . . . 0.0 109.678 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -117.67 -32.3 4.9 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.169 -0.957 . . . . 0.0 109.767 -179.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.27 -40.86 74.09 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.276 -0.89 . . . . 0.0 109.553 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . 0.424 ' O ' ' N ' ' B' ' 21' ' ' GLU . . . -50.64 -40.32 40.1 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.88 -1.288 . . . . 0.0 109.88 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.521 ' O ' ' CG ' ' B' ' 21' ' ' GLU . 43.7 mtp85 -54.96 92.76 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.101 -1.234 . . . . 0.0 109.678 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.521 ' CG ' ' O ' ' B' ' 20' ' ' ARG . 10.8 pt-20 41.47 -157.08 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.366 -0.834 . . . . 0.0 109.801 179.736 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . 0.447 ' N ' ' HG3' ' B' ' 21' ' ' GLU . . . 93.13 -156.49 22.86 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.346 -1.502 . . . . 0.0 109.346 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.51 ' HB3' ' HG2' ' B' ' 26' ' ' LYS . 5.7 t70 -96.65 -88.6 0.28 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.171 -1.194 . . . . 0.0 109.404 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.476 ' N ' ' OD1' ' B' ' 23' ' ' ASP . 3.5 tttt 178.85 135.89 0.09 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.082 -1.011 . . . . 0.0 110.049 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 47.27 42.58 13.83 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.375 -0.828 . . . . 0.0 109.909 179.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.51 ' HG2' ' HB3' ' B' ' 23' ' ' ASP . 0.0 OUTLIER -150.44 131.63 14.48 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.151 -0.968 . . . . 0.0 109.617 179.777 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.556 HD23 ' CZ ' ' B' ' 14' ' ' PHE . 0.5 OUTLIER -98.92 -160.71 0.82 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.252 -0.905 . . . . 0.0 109.282 179.782 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.405 ' O ' ' CB ' ' B' ' 32' ' ' LEU . 2.2 mtmt -149.21 -175.63 5.05 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.247 -0.908 . . . . 0.0 109.497 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.449 ' HB2' ' C ' ' B' ' 64' ' ' GLY . 30.6 mmtt -91.97 -22.33 20.07 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.22 -0.925 . . . . 0.0 109.478 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 30.8 t -80.13 -44.19 20.34 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.198 -0.939 . . . . 0.0 109.124 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.486 ' O ' ' HG3' ' B' ' 34' ' ' GLU . 1.1 tp10 -77.86 -23.98 48.68 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 179.229 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.511 HD13 ' CD1' ' B' ' 73' ' ' PHE . 10.9 tp -75.77 -40.69 54.85 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 178.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.55 ' HB2' HD22 ' B' ' 60' ' ' LEU . 8.8 tmtt? -58.91 -45.64 89.81 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 179.093 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.542 ' HG3' ' N ' ' B' ' 35' ' ' LEU . 0.0 OUTLIER -69.94 -32.61 70.97 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 179.393 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.768 ' CD1' HD22 ' A' ' 3' ' ' LEU . 0.2 OUTLIER -57.07 -42.29 80.34 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 179.826 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.824 HG23 HD23 ' B' ' 40' ' ' LEU . 0.6 OUTLIER -74.25 -55.15 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.338 -0.852 . . . . 0.0 109.304 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.492 ' HA ' ' HB2' ' B' ' 41' ' ' SER . 53.6 t-20 -69.98 -1.48 9.84 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.293 -0.88 . . . . 0.0 110.246 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.538 ' CB ' ' O ' ' B' ' 34' ' ' GLU . 9.9 t30 -87.84 -37.86 16.18 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.103 -0.998 . . . . 0.0 109.392 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.881 ' HB3' HD23 ' A' ' 3' ' ' LEU . 6.9 tp10 -130.59 -37.77 1.36 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.396 -0.815 . . . . 0.0 109.317 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.878 HD21 HG13 ' B' ' 77' ' ' VAL . 0.0 OUTLIER -71.4 -2.93 18.2 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.36 -0.838 . . . . 0.0 109.869 -179.408 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.492 ' HB2' ' HA ' ' B' ' 37' ' ' ASN . 32.3 t -80.29 -13.53 59.12 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.155 -0.965 . . . . 0.0 109.337 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -62.04 -25.39 67.64 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.278 -0.889 . . . . 0.0 109.601 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . 0.438 ' HB2' ' SG ' ' B' ' 84' ' ' CYS . 1.3 m-85 -113.35 58.05 0.67 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.299 -0.875 . . . . 0.0 109.528 -179.746 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.07 63.54 1.23 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.172 -0.955 . . . . 0.0 109.529 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -124.88 -35.48 2.68 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.362 -0.836 . . . . 0.0 109.261 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.43 ' O ' ' O ' ' B' ' 47' ' ' ILE . 3.5 mm-40 -122.53 -40.87 2.42 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.413 -0.805 . . . . 0.0 109.338 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.43 ' O ' ' O ' ' B' ' 46' ' ' GLU . 23.7 mt 61.63 121.71 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.297 -0.877 . . . . 0.0 109.627 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.577 ' HG3' ' CD2' ' B' ' 85' ' ' HIS . 2.9 tttt -96.93 -56.23 2.63 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.208 -0.933 . . . . 0.0 109.507 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.471 ' HB3' ' CG2' ' B' ' 52' ' ' VAL . 1.1 mm-40 -87.84 80.54 7.81 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.184 -0.947 . . . . 0.0 109.434 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . 0.508 ' O ' ' CB ' ' B' ' 54' ' ' ASP . 15.7 tm0? -59.05 -22.7 61.14 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.236 -0.915 . . . . 0.0 109.643 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -79.6 -38.0 34.93 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.187 -0.945 . . . . 0.0 109.436 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.471 ' CG2' ' HB3' ' B' ' 49' ' ' GLU . 95.1 t -64.37 -57.82 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.36 -0.838 . . . . 0.0 109.501 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.479 HG22 HG12 ' B' ' 80' ' ' VAL . 92.5 t -65.36 -29.58 47.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.277 -0.89 . . . . 0.0 109.473 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . 0.508 ' CB ' ' O ' ' B' ' 50' ' ' GLN . 50.2 t0 -74.1 -22.97 59.27 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.198 -0.939 . . . . 0.0 108.994 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.25 -52.74 7.37 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.295 -0.878 . . . . 0.0 109.633 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.596 HG23 ' N ' ' B' ' 57' ' ' MET . 30.9 m -65.08 -48.35 84.23 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.333 0 O-C-N 121.132 -0.98 . . . . 0.0 109.211 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.596 ' N ' HG23 ' B' ' 56' ' ' VAL . 55.1 tpp -62.25 -22.72 66.2 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.288 -0.882 . . . . 0.0 108.82 179.353 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' B' ' 54' ' ' ASP . 3.5 mt-10 -72.39 -55.49 6.99 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.409 -0.807 . . . . 0.0 109.651 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.57 -29.41 70.0 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.95 -1.094 . . . . 0.0 108.165 179.475 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.552 HD11 ' CD1' ' B' ' 36' ' ' ILE . 9.8 mt -63.51 -53.65 48.61 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 121.564 0.697 . . . . 0.0 109.202 179.479 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.82 -5.79 56.09 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.589 -0.694 . . . . 0.0 109.408 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -72.11 -28.69 63.45 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.211 -0.931 . . . . 0.0 109.405 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -145.0 -58.76 0.35 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.303 -0.873 . . . . 0.0 109.702 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . 0.449 ' C ' ' HB2' ' B' ' 29' ' ' LYS . . . 79.91 -6.85 57.9 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.588 -1.405 . . . . 0.0 109.588 -179.742 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -130.42 23.51 5.14 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.25 -1.147 . . . . 0.0 109.458 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.423 ' H ' ' CG ' ' B' ' 29' ' ' LYS . . . -89.96 178.9 43.88 Favored Glycine 0 N--CA 1.489 2.194 0 N-CA-C 109.641 -1.383 . . . . 0.0 109.641 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -106.68 140.47 39.49 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.235 -1.156 . . . . 0.0 109.501 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 1.3 m -115.84 157.7 24.03 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.238 -0.914 . . . . 0.0 109.557 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -101.37 -163.09 0.99 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.272 -0.893 . . . . 0.0 109.262 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.611 ' CD2' ' HG3' ' B' ' 71' ' ' GLN . 1.3 p90 -88.03 -47.52 8.46 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.189 -0.944 . . . . 0.0 109.362 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.611 ' HG3' ' CD2' ' B' ' 70' ' ' PHE . 7.4 mt-30 -70.95 -16.39 62.65 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.155 -0.966 . . . . 0.0 109.058 179.553 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.56 -59.47 2.68 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.298 -0.877 . . . . 0.0 109.029 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.577 ' O ' ' CD1' ' B' ' 73' ' ' PHE . 1.7 t80 -63.24 -19.58 64.68 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.23 -0.919 . . . . 0.0 108.539 179.278 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.57 ' HE2' ' HB3' ' A' ' 78' ' ' SER . 7.7 mmm -79.93 -52.44 7.85 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.241 -0.912 . . . . 0.0 109.062 179.701 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.501 ' O ' ' HG3' ' B' ' 79' ' ' MET . . . -68.46 -16.18 63.81 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.384 -0.823 . . . . 0.0 108.85 179.569 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.65 ' O ' HG22 ' B' ' 80' ' ' VAL . 1.7 m-85 -78.17 -37.73 45.12 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.425 -0.797 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.953 HG12 ' SD ' ' A' ' 7' ' ' MET . 78.5 t -75.35 -30.28 22.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.373 -0.829 . . . . 0.0 109.784 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . 0.566 ' HB3' ' HE2' ' A' ' 74' ' ' MET . 38.7 m -77.12 -38.37 52.29 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.112 -0.992 . . . . 0.0 110.162 -179.433 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . 0.501 ' HG3' ' O ' ' B' ' 75' ' ' ALA . 1.2 mmm -60.64 -50.45 73.45 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.116 -0.99 . . . . 0.0 110.339 -179.377 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.768 HG21 HG23 ' B' ' 36' ' ' ILE . 1.7 m -68.15 -36.19 74.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.016 -1.053 . . . . 0.0 110.566 -178.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.678 HG21 ' HG3' ' A' ' 7' ' ' MET . 10.5 m -67.87 -7.7 30.29 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.955 -1.091 . . . . 0.0 110.227 -179.331 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.492 ' HB ' ' HG2' ' A' ' 71' ' ' GLN . 26.6 p -120.74 -10.6 9.14 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.083 -1.011 . . . . 0.0 109.566 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -90.86 47.5 1.42 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.155 -0.966 . . . . 0.0 109.292 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . 0.438 ' SG ' ' HB2' ' B' ' 43' ' ' PHE . 5.1 m -132.35 138.6 47.82 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.316 -0.865 . . . . 0.0 109.63 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . 0.577 ' CD2' ' HG3' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -64.68 -63.98 0.99 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.325 -0.86 . . . . 0.0 109.505 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -84.4 103.59 13.7 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.154 -0.966 . . . . 0.0 109.568 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . 0.676 ' CE2' ' CD1' ' B' ' 88' ' ' PHE . 0.1 OUTLIER -158.61 -167.11 2.06 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.419 -0.801 . . . . 0.0 109.029 179.767 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.676 ' CD1' ' CE2' ' B' ' 87' ' ' PHE . 2.2 m-30 64.63 47.57 2.82 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.142 -0.974 . . . . 0.0 108.389 -179.377 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.492 ' C ' ' O ' ' B' ' 88' ' ' PHE . 2.9 tt0 -29.99 89.72 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.749 0 CA-C-O 121.365 0.602 . . . . 0.0 110.9 -179.429 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . 0.536 ' N ' ' O ' ' B' ' 88' ' ' PHE . 20.0 p80 -116.7 13.63 15.2 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.253 -0.905 . . . . 0.0 109.441 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 117.906 -1.045 . . . . 0.0 109.494 179.907 . . . . . . . . 0 0 . 1 stop_ save_