data_1gat_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 1gat _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.615 H2'' " O5'" ' B' ' 107' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.44 1.552 0 O4'-C1'-N19 110.747 3.684 . . . . 0.91 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . 0.615 " O5'" H2'' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.689 1 O4'-C1'-N19 111.881 5.102 . . . . 0.71 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . 0.564 H2'' " O5'" ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.095 0 O4'-C1'-N19 110.906 3.883 . . . . 0.72 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . 0.564 " O5'" H2'' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.757 1 O4'-C1'-N19 111.061 4.076 . . . . 1.15 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . 0.475 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.443 1.747 0 O4'-C1'-N19 110.735 3.669 . . . . 0.54 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.443 1.795 0 O4'-C1'-N19 110.666 3.582 . . . . 0.62 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . 0.405 H2'' " O5'" ' B' ' 113' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.065 1 O4'-C1'-N19 111.015 4.019 . . . . 0.91 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . 0.405 " O5'" H2'' ' B' ' 112' ' ' ' DA' . . . . . . . . 0 P--O5' 1.613 2.024 0 O4'-C1'-N19 110.328 3.159 . . . . 1.31 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.648 H2'' " O5'" ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.098 1 O4'-C1'-N19 111.106 4.132 . . . . 1.21 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . 0.648 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.8 1 O4'-C1'-N19 111.781 4.976 . . . . 1.36 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 122' ' ' ' DT' . . . . . 0.454 H2'' " O5'" ' C' ' 123' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.553 1 O4'-C1'-N19 111.293 4.366 . . . . 1.2 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 123' ' ' ' DT' . . . . . 0.484 H2'' ' C8 ' ' C' ' 124' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.872 0 O4'-C1'-N19 110.799 3.749 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 124' ' ' ' DA' . . . . . 0.495 " H3'" ' CG2' ' A' ' 16' ' ' THR . . . . . . . . 0 C5'--C4' 1.531 2.514 0 O4'-C1'-N19 110.447 3.309 . . . . 0.46 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . 0.679 ' C7 ' ' HB ' ' A' ' 16' ' ' THR . . . . . . . . 0 C5'--C4' 1.529 2.211 1 O4'-C1'-N19 112.635 6.044 . . . . 1.11 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 126' ' ' ' DC' . . . . . 0.51 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.828 0 O4'-C1'-N19 110.544 3.43 . . . . 0.6 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 127' ' ' ' DT' . . . . . 0.416 ' C5 ' " H2'" ' C' ' 126' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.258 0 O4'-C1'-N19 110.919 3.899 . . . . 1.12 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.5 mmtp . . . . . 0 N--CA 1.496 1.858 0 CA-C-O 120.916 0.389 . . . . 7.17 110.035 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.453 ' HG2' ' CD1' ' A' ' 18' ' ' TRP . 2.5 mpt_? -102.59 17.6 23.31 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.095 -1.003 . . . . 4.88 109.663 179.345 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.47 108.36 3.25 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 108.397 -0.964 . . . . 1.98 108.397 178.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.12 -27.84 6.27 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 108.187 -1.965 . . . . 0.94 108.187 -178.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.47 HG22 ' HB2' ' A' ' 26' ' ' PRO . 26.9 m -67.81 85.79 0.22 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.496 -1.003 . . . . 1.2 108.493 178.587 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 35.6 m -85.45 123.52 39.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 N-CA-C 108.46 -0.941 . . . . 1.26 108.46 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.526 ' SG ' ' HA ' ' A' ' 27' ' ' VAL . 44.0 t -51.64 113.16 0.9 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.29 -0.881 . . . . 0.49 110.228 -178.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.3 m -60.55 -13.8 16.2 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.228 -0.92 . . . . 1.14 110.773 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.418 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 1.0 OUTLIER -98.12 -29.12 13.42 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.027 -1.046 . . . . 2.15 111.093 -179.556 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.837 ' SG ' ' HD3' ' A' ' 47' ' ' ARG . 15.7 p -141.73 17.21 2.16 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.423 -1.423 . . . . 0.56 112.178 -179.484 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 52.6 15.93 0.58 Allowed 'General case' 0 N--CA 1.51 2.545 0 O-C-N 121.107 -0.995 . . . . 2.58 113.359 178.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.471 ' HB ' ' CD ' ' A' ' 47' ' ' ARG . 13.1 t -85.02 131.94 34.4 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 120.192 -1.568 . . . . 1.06 110.299 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.5 p -91.02 -21.07 21.45 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.642 -0.661 . . . . 1.35 109.462 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.485 ' HB ' HG13 ' A' ' 51' ' ' ILE . 38.4 p -97.36 120.43 37.71 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 108.612 -0.884 . . . . 1.24 108.612 179.316 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.484 HG23 ' CZ2' ' A' ' 18' ' ' TRP . 8.2 p -140.35 147.06 39.25 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.036 -1.04 . . . . 1.09 110.419 -179.401 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.679 ' HB ' ' C7 ' ' C' ' 125' ' ' ' DT' . 64.5 p -70.63 -35.12 72.76 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 108.788 -0.819 . . . . 1.14 108.788 179.175 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.63 ' HB2' ' HB2' ' A' ' 29' ' ' ASN . 50.2 mt -145.6 110.15 5.05 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 109.0 -0.741 . . . . 1.5 109.0 179.201 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.484 ' CZ2' HG23 ' A' ' 15' ' ' THR . 12.0 m95 -69.2 102.68 1.74 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.089 -1.007 . . . . 0.52 109.735 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.77 91.77 8.06 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.49 -0.756 . . . . 3.21 109.653 -179.629 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.03 101.54 1.43 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.48 -0.762 . . . . 2.6 109.441 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.9 t -65.35 139.46 97.41 Favored Pre-proline 0 N--CA 1.498 1.941 0 O-C-N 121.224 -0.923 . . . . 1.84 109.489 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -54.23 -33.45 75.32 Favored 'Trans proline' 0 C--N 1.319 -0.977 0 C-N-CA 122.631 2.221 . . . . 1.4 111.086 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.0 mtt -63.62 -20.74 65.92 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.248 -0.908 . . . . 3.95 109.815 178.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 108.88 33.28 2.86 Favored Glycine 0 N--CA 1.495 2.577 0 N-CA-C 109.233 -1.547 . . . . 1.18 109.233 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -124.9 102.06 32.01 Favored Pre-proline 0 N--CA 1.494 1.745 0 O-C-N 121.445 -1.032 . . . . 1.44 110.2 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.491 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 2.8 Cg_endo -64.48 101.63 0.37 Allowed 'Trans proline' 0 C--N 1.312 -1.366 0 C-N-CA 122.183 1.922 . . . . 0.69 109.554 178.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.526 ' HA ' ' SG ' ' A' ' 7' ' ' CYS . 2.0 m -115.31 124.2 71.63 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 O-C-N 121.145 -0.972 . . . . 1.17 110.668 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.454 ' HB2' ' HB ' ' A' ' 15' ' ' THR . 7.0 p -48.83 133.52 17.52 Favored 'General case' 0 N--CA 1.484 1.228 0 CA-C-O 121.344 0.592 . . . . 0.38 109.564 179.249 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.63 ' HB2' ' HB2' ' A' ' 17' ' ' LEU . 20.0 t-20 -37.33 -46.38 0.76 Allowed 'General case' 0 N--CA 1.504 2.232 0 O-C-N 121.768 -0.582 . . . . 1.0 111.762 -178.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -47.97 -44.72 30.62 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.272 -0.892 . . . . 1.13 110.945 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.441 ' O ' ' HB2' ' A' ' 35' ' ' TYR . 16.2 m -65.18 -43.1 92.79 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.251 -0.906 . . . . 0.49 108.757 179.416 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.42 -36.74 93.78 Favored Glycine 0 N--CA 1.493 2.481 0 N-CA-C 110.487 -1.045 . . . . 0.62 110.487 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.423 HD21 ' HA ' ' A' ' 33' ' ' LEU . 43.8 mt -71.81 -66.0 0.69 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.234 -1.156 . . . . 1.26 110.075 -179.475 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.914 ' CD1' ' HD3' ' A' ' 42' ' ' ARG . 3.9 t80 -52.07 -41.64 62.54 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.983 -1.073 . . . . 1.42 109.195 179.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.521 ' O ' ' HA ' ' A' ' 39' ' ' GLN . 36.8 t80 -51.62 -43.69 62.64 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.981 -1.074 . . . . 1.31 108.596 179.109 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.84 -29.68 70.85 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.66 -1.275 . . . . 2.43 109.92 178.534 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.457 ' HB2' ' O ' ' A' ' 34' ' ' TYR . 10.6 mp -64.31 -66.26 0.57 Allowed 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.097 -1.002 . . . . 1.65 110.609 -179.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.467 ' CD2' ' CZ ' ' A' ' 34' ' ' TYR . 57.7 m-70 -97.45 -15.28 20.7 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.148 -0.97 . . . . 1.52 110.928 -179.135 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.615 ' CG ' ' O ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER 65.85 38.35 5.14 Favored 'General case' 0 N--CA 1.5 2.075 0 CA-C-O 122.547 1.165 . . . . 3.35 109.934 179.673 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.3 m -132.73 176.95 7.9 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 120.558 -1.339 . . . . 1.55 111.202 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 -81.69 125.35 30.49 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 121.161 -0.962 . . . . 2.37 113.074 -178.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.914 ' HD3' ' CD1' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -82.92 126.09 73.58 Favored Pre-proline 0 N--CA 1.502 2.162 0 N-CA-C 113.88 1.067 . . . . 7.66 113.88 -178.742 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_endo -76.17 131.28 12.82 Favored 'Trans proline' 0 C--N 1.315 -1.195 0 N-CA-C 106.518 -2.147 . . . . 2.05 106.518 174.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.62 30.85 0.09 Allowed 'General case' 0 N--CA 1.503 2.183 0 O-C-N 120.302 -1.499 . . . . 1.96 111.9 -178.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 34.3 p -69.38 -26.8 64.84 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 120.59 -1.319 . . . . 1.99 108.879 178.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -88.39 7.47 32.46 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.579 -0.7 . . . . 1.49 110.062 179.442 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.837 ' HD3' ' SG ' ' A' ' 10' ' ' CYS . 0.5 OUTLIER -69.1 170.68 9.53 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.832 -1.168 . . . . 5.38 109.726 179.886 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.48 ' HG3' ' OE1' ' A' ' 52' ' ' GLN . 0.2 OUTLIER -152.14 163.59 39.04 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.277 -0.889 . . . . 3.54 109.409 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -56.29 -62.5 1.67 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.678 -0.639 . . . . 2.6 110.081 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -109.61 165.16 12.37 Favored Glycine 0 N--CA 1.497 2.748 0 N-CA-C 110.124 -1.19 . . . . 0.93 110.124 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.485 HG13 ' HB ' ' A' ' 14' ' ' THR . 6.0 mt -54.92 126.99 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.429 -1.041 . . . . 1.19 110.094 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.48 ' OE1' ' HG3' ' A' ' 48' ' ' LYS . 1.8 mt-30 -61.88 150.75 36.54 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.434 -0.791 . . . . 2.23 109.123 178.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -155.36 160.24 40.55 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.92 -1.113 . . . . 1.23 109.203 179.258 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.461 ' HG2' ' NH1' ' A' ' 54' ' ' ARG . 8.1 mtt-85 -151.45 -166.44 2.52 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.755 -0.591 . . . . 3.38 109.991 -179.062 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -60.9 96.86 0.05 Allowed 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 107.988 -1.116 . . . . 2.69 107.988 178.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.417 ' HD3' ' OP1' ' C' ' 126' ' ' ' DC' . 0.0 OUTLIER -41.76 137.86 1.59 Allowed 'General case' 0 N--CA 1.498 1.964 0 CA-C-O 121.565 0.698 . . . . 2.6 110.853 -178.091 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.5 ttpt -53.98 131.06 39.72 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.622 -0.673 . . . . 1.77 109.769 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.9 p -62.17 145.36 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.824 0 O-C-N 121.373 -0.829 . . . . 2.44 109.228 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 29.4 p -61.2 114.51 3.19 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.098 -1.001 . . . . 2.68 109.863 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.2 t . . . . . 0 N--CA 1.496 1.859 0 O-C-N 121.363 -0.836 . . . . 3.06 109.769 -179.73 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.611 H2'' " O5'" ' B' ' 107' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.44 1.552 0 O4'-C1'-N19 110.747 3.684 . . . . 0.91 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . 0.934 ' O6 ' HD11 ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.525 1.689 1 O4'-C1'-N19 111.881 5.102 . . . . 0.71 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . 0.557 H2'' " O5'" ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.095 0 O4'-C1'-N19 110.906 3.883 . . . . 0.72 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.557 " O5'" H2'' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.757 1 O4'-C1'-N19 111.061 4.076 . . . . 0.72 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . 0.479 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.443 1.747 0 O4'-C1'-N19 110.735 3.669 . . . . 0.54 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.443 1.795 0 O4'-C1'-N19 110.666 3.582 . . . . 0.58 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . 0.402 H2'' " O5'" ' B' ' 113' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.065 1 O4'-C1'-N19 111.015 4.019 . . . . 0.91 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . 0.402 " O5'" H2'' ' B' ' 112' ' ' ' DA' . . . . . . . . 0 P--O5' 1.613 2.024 0 O4'-C1'-N19 110.328 3.159 . . . . 1.31 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.639 H2'' " O5'" ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.098 1 O4'-C1'-N19 111.106 4.132 . . . . 1.21 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . 0.639 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.8 1 O4'-C1'-N19 111.781 4.976 . . . . 0.87 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 122' ' ' ' DT' . . . . . 0.639 ' H71' " H2'" ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.553 1 O4'-C1'-N19 111.293 4.366 . . . . 0.97 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 123' ' ' ' DT' . . . . . 0.492 H2'' ' C8 ' ' C' ' 124' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.872 0 O4'-C1'-N19 110.799 3.749 . . . . 0.72 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 124' ' ' ' DA' . . . . . 0.492 ' C8 ' H2'' ' C' ' 123' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.514 0 O4'-C1'-N19 110.447 3.309 . . . . 0.44 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . 0.694 ' C7 ' ' HB ' ' A' ' 16' ' ' THR . . . . . . . . 0 C5'--C4' 1.529 2.211 1 O4'-C1'-N19 112.635 6.044 . . . . 0.57 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 126' ' ' ' DC' . . . . . 0.506 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.828 0 O4'-C1'-N19 110.544 3.43 . . . . 0.56 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 127' ' ' ' DT' . . . . . 0.441 ' C6 ' " H2'" ' C' ' 126' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.258 0 O4'-C1'-N19 110.919 3.899 . . . . 1.11 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.5 mmtp . . . . . 0 N--CA 1.496 1.858 0 CA-C-O 120.916 0.389 . . . . 6.84 110.035 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.474 ' HG2' ' CD1' ' A' ' 18' ' ' TRP . 2.5 mpt_? -102.59 17.6 23.31 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.095 -1.003 . . . . 4.24 109.663 179.345 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.47 108.36 3.25 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 108.397 -0.964 . . . . 1.34 108.397 178.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.12 -27.84 6.27 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 108.187 -1.965 . . . . 0.83 108.187 -178.095 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.517 HG23 ' CB ' ' A' ' 26' ' ' PRO . 26.9 m -67.81 85.79 0.22 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.496 -1.003 . . . . 0.63 108.493 178.587 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 6' ' ' VAL . 35.6 m -85.45 123.52 39.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 N-CA-C 108.46 -0.941 . . . . 0.67 108.46 -179.597 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.52 ' SG ' ' HA ' ' A' ' 27' ' ' VAL . 44.0 t -51.64 113.16 0.9 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.29 -0.881 . . . . 0.49 110.228 -178.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.3 m -60.55 -13.8 16.2 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.228 -0.92 . . . . 0.8 110.773 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.444 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 2.5 m120 -98.12 -29.12 13.42 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.027 -1.046 . . . . 1.43 111.093 -179.556 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.855 ' SG ' ' HD3' ' A' ' 47' ' ' ARG . 15.7 p -141.73 17.21 2.16 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.423 -1.423 . . . . 0.53 112.178 -179.484 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 52.6 15.93 0.58 Allowed 'General case' 0 N--CA 1.51 2.545 0 O-C-N 121.107 -0.995 . . . . 2.36 113.359 178.074 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.604 HG22 ' SG ' ' A' ' 10' ' ' CYS . 13.1 t -85.02 131.94 34.4 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 120.192 -1.568 . . . . 0.43 110.299 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.5 p -91.02 -21.07 21.45 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.642 -0.661 . . . . 1.06 109.462 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.521 ' HB ' HG13 ' A' ' 51' ' ' ILE . 38.4 p -97.36 120.43 37.71 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 108.612 -0.884 . . . . 0.63 108.612 179.316 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.481 ' HB ' ' HB2' ' A' ' 28' ' ' CYS . 8.2 p -140.35 147.06 39.25 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.036 -1.04 . . . . 0.37 110.419 -179.401 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.694 ' HB ' ' C7 ' ' C' ' 125' ' ' ' DT' . 64.5 p -70.63 -35.12 72.76 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 108.788 -0.819 . . . . 0.52 108.788 179.175 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.934 HD11 ' O6 ' ' B' ' 107' ' ' ' DG' . 50.2 mt -145.6 110.15 5.05 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 109.0 -0.741 . . . . 1.06 109.0 179.201 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.474 ' CD1' ' HG2' ' A' ' 2' ' ' ARG . 12.0 m95 -69.2 102.68 1.74 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.089 -1.007 . . . . 0.5 109.735 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.77 91.77 8.06 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.49 -0.756 . . . . 2.68 109.653 -179.629 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.03 101.54 1.43 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.48 -0.762 . . . . 2.18 109.441 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.9 t -65.35 139.46 97.41 Favored Pre-proline 0 N--CA 1.498 1.941 0 O-C-N 121.224 -0.923 . . . . 1.48 109.489 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -54.23 -33.45 75.32 Favored 'Trans proline' 0 C--N 1.319 -0.977 0 C-N-CA 122.631 2.221 . . . . 1.35 111.086 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.0 mtt -63.62 -20.74 65.92 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.248 -0.908 . . . . 3.49 109.815 178.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 108.88 33.28 2.86 Favored Glycine 0 N--CA 1.495 2.577 0 N-CA-C 109.233 -1.547 . . . . 1.09 109.233 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -124.9 102.06 32.01 Favored Pre-proline 0 N--CA 1.494 1.745 0 O-C-N 121.445 -1.032 . . . . 1.44 110.2 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.517 ' CB ' HG23 ' A' ' 5' ' ' THR . 2.8 Cg_endo -64.48 101.63 0.37 Allowed 'Trans proline' 0 C--N 1.312 -1.366 0 C-N-CA 122.183 1.922 . . . . 0.64 109.554 178.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.52 ' HA ' ' SG ' ' A' ' 7' ' ' CYS . 2.0 m -115.31 124.2 71.63 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 O-C-N 121.145 -0.972 . . . . 0.5 110.668 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.481 ' HB2' ' HB ' ' A' ' 15' ' ' THR . 7.0 p -48.83 133.52 17.52 Favored 'General case' 0 N--CA 1.484 1.228 0 CA-C-O 121.344 0.592 . . . . 0.38 109.564 179.249 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.676 ' HB2' ' HB2' ' A' ' 17' ' ' LEU . 20.0 t-20 -37.33 -46.38 0.76 Allowed 'General case' 0 N--CA 1.504 2.232 0 O-C-N 121.768 -0.582 . . . . 0.9 111.762 -178.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -47.97 -44.72 30.62 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.272 -0.892 . . . . 0.45 110.945 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.462 ' O ' ' HB2' ' A' ' 35' ' ' TYR . 16.2 m -65.18 -43.1 92.79 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.251 -0.906 . . . . 0.49 108.757 179.416 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.42 -36.74 93.78 Favored Glycine 0 N--CA 1.493 2.481 0 N-CA-C 110.487 -1.045 . . . . 0.62 110.487 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 33' ' ' LEU . 43.8 mt -71.81 -66.0 0.69 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.234 -1.156 . . . . 0.62 110.075 -179.475 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.947 ' CD1' ' HD3' ' A' ' 42' ' ' ARG . 3.9 t80 -52.07 -41.64 62.54 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.983 -1.073 . . . . 1.1 109.195 179.785 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.479 ' O ' ' N ' ' A' ' 39' ' ' GLN . 36.8 t80 -51.62 -43.69 62.64 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.981 -1.074 . . . . 1.0 108.596 179.109 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.84 -29.68 70.85 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.66 -1.275 . . . . 1.94 109.92 178.534 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.463 ' HB2' ' O ' ' A' ' 34' ' ' TYR . 10.6 mp -64.31 -66.26 0.57 Allowed 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.097 -1.002 . . . . 1.15 110.609 -179.607 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.467 ' CD2' ' CZ ' ' A' ' 34' ' ' TYR . 57.7 m-70 -97.45 -15.28 20.7 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.148 -0.97 . . . . 1.36 110.928 -179.135 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.615 ' CG ' ' O ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER 65.85 38.35 5.14 Favored 'General case' 0 N--CA 1.5 2.075 0 CA-C-O 122.547 1.165 . . . . 2.85 109.934 179.673 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.442 HG22 ' HB2' ' A' ' 38' ' ' HIS . 2.3 m -132.73 176.95 7.9 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 120.558 -1.339 . . . . 1.16 111.202 179.415 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 -81.69 125.35 30.49 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 121.161 -0.962 . . . . 1.92 113.074 -178.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.947 ' HD3' ' CD1' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -82.92 126.09 73.58 Favored Pre-proline 0 N--CA 1.502 2.162 0 N-CA-C 113.88 1.067 . . . . 6.82 113.88 -178.742 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.57 ' HB2' HG23 ' A' ' 45' ' ' THR . 7.4 Cg_endo -76.17 131.28 12.82 Favored 'Trans proline' 0 C--N 1.315 -1.195 0 N-CA-C 106.518 -2.147 . . . . 1.85 106.518 174.719 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.62 30.85 0.09 Allowed 'General case' 0 N--CA 1.503 2.183 0 O-C-N 120.302 -1.499 . . . . 1.45 111.9 -178.418 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.57 HG23 ' HB2' ' A' ' 43' ' ' PRO . 34.3 p -69.38 -26.8 64.84 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 120.59 -1.319 . . . . 1.66 108.879 178.288 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -88.39 7.47 32.46 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.579 -0.7 . . . . 1.31 110.062 179.442 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.855 ' HD3' ' SG ' ' A' ' 10' ' ' CYS . 0.5 OUTLIER -69.1 170.68 9.53 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.832 -1.168 . . . . 4.61 109.726 179.886 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.481 ' HG3' ' OE1' ' A' ' 52' ' ' GLN . 0.2 OUTLIER -152.14 163.59 39.04 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.277 -0.889 . . . . 3.09 109.409 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -56.29 -62.5 1.67 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.678 -0.639 . . . . 2.6 110.081 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -109.61 165.16 12.37 Favored Glycine 0 N--CA 1.497 2.748 0 N-CA-C 110.124 -1.19 . . . . 0.78 110.124 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.521 HG13 ' HB ' ' A' ' 14' ' ' THR . 6.0 mt -54.92 126.99 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.429 -1.041 . . . . 0.62 110.094 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.481 ' OE1' ' HG3' ' A' ' 48' ' ' LYS . 1.8 mt-30 -61.88 150.75 36.54 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.434 -0.791 . . . . 2.23 109.123 178.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -155.36 160.24 40.55 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.92 -1.113 . . . . 0.74 109.203 179.258 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.463 ' HG2' ' NH1' ' A' ' 54' ' ' ARG . 8.1 mtt-85 -151.45 -166.44 2.52 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.755 -0.591 . . . . 2.89 109.991 -179.062 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -60.9 96.86 0.05 Allowed 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 107.988 -1.116 . . . . 2.21 107.988 178.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.426 ' HD3' ' OP1' ' C' ' 126' ' ' ' DC' . 0.0 OUTLIER -41.76 137.86 1.59 Allowed 'General case' 0 N--CA 1.498 1.964 0 CA-C-O 121.565 0.698 . . . . 2.19 110.853 -178.091 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.5 ttpt -53.98 131.06 39.72 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.622 -0.673 . . . . 1.09 109.769 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.9 p -62.17 145.36 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.824 0 O-C-N 121.373 -0.829 . . . . 1.93 109.228 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 29.4 p -61.2 114.51 3.19 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.098 -1.001 . . . . 2.28 109.863 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.2 t . . . . . 0 N--CA 1.496 1.859 0 O-C-N 121.363 -0.836 . . . . 2.75 109.769 -179.73 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.611 H2'' " O5'" ' B' ' 107' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.44 1.552 0 O4'-C1'-N19 110.747 3.684 . . . . 0.91000000000000003 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . 0.934 ' O6 ' HD11 ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.525 1.689 1 O4'-C1'-N19 111.881 5.102 . . . . 0.70999999999999996 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . 0.557 H2'' " O5'" ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.095 0 O4'-C1'-N19 110.906 3.883 . . . . 0.71999999999999997 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.557 " O5'" H2'' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.757 1 O4'-C1'-N19 111.061 4.076 . . . . 0.71999999999999997 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . 0.479 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.443 1.747 0 O4'-C1'-N19 110.735 3.669 . . . . 0.54000000000000004 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.443 1.795 0 O4'-C1'-N19 110.666 3.582 . . . . 0.57999999999999996 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . 0.402 H2'' " O5'" ' B' ' 113' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.528 2.065 1 O4'-C1'-N19 111.015 4.019 . . . . 0.91000000000000003 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . 0.402 " O5'" H2'' ' B' ' 112' ' ' ' DA' . . . . . . . . 0 P--O5' 1.613 2.024 0 O4'-C1'-N19 110.328 3.159 . . . . 1.3100000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.639 H2'' " O5'" ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.098 1 O4'-C1'-N19 111.106 4.132 . . . . 1.21 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . 0.639 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.8 1 O4'-C1'-N19 111.781 4.976 . . . . 0.87 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 122' ' ' ' DT' . . . . . 0.639 ' H71' " H2'" ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.553 1 O4'-C1'-N19 111.293 4.366 . . . . 0.96999999999999997 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 123' ' ' ' DT' . . . . . 0.492 H2'' ' C8 ' ' C' ' 124' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.526 1.872 0 O4'-C1'-N19 110.799 3.749 . . . . 0.71999999999999997 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 124' ' ' ' DA' . . . . . 0.492 ' C8 ' H2'' ' C' ' 123' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.514 0 O4'-C1'-N19 110.447 3.309 . . . . 0.44 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . 0.694 ' C7 ' ' HB ' ' A' ' 16' ' ' THR . . . . . . . . 0 C5'--C4' 1.529 2.211 1 O4'-C1'-N19 112.635 6.044 . . . . 0.56999999999999995 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 126' ' ' ' DC' . . . . . 0.506 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.828 0 O4'-C1'-N19 110.544 3.43 . . . . 0.56000000000000005 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 127' ' ' ' DT' . . . . . 0.441 ' C6 ' " H2'" ' C' ' 126' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.258 0 O4'-C1'-N19 110.919 3.899 . . . . 1.1100000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.5 mmtp . . . . . 0 N--CA 1.496 1.858 0 CA-C-O 120.916 0.389 . . . . 6.8399999999999999 110.035 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.474 ' HG2' ' CD1' ' A' ' 18' ' ' TRP . 2.5 mpt_? -102.59 17.6 23.31 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.095 -1.003 . . . . 4.2400000000000002 109.663 179.345 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.47 108.36 3.25 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 108.397 -0.964 . . . . 1.3400000000000001 108.397 178.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.12 -27.84 6.27 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 108.187 -1.965 . . . . 0.82999999999999996 108.187 -178.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.517 HG23 ' CB ' ' A' ' 26' ' ' PRO . 26.9 m -67.81 85.79 0.22 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.496 -1.003 . . . . 0.63 108.493 178.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 6' ' ' VAL . 35.6 m -85.45 123.52 39.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 N-CA-C 108.46 -0.941 . . . . 0.67000000000000004 108.46 -179.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.52 ' SG ' ' HA ' ' A' ' 27' ' ' VAL . 44.0 t -51.64 113.16 0.9 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.29 -0.881 . . . . 0.48999999999999999 110.228 -178.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.3 m -60.55 -13.8 16.2 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.228 -0.92 . . . . 0.80000000000000004 110.773 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.444 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 1.0 OUTLIER -98.12 -29.12 13.42 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.027 -1.046 . . . . 1.4299999999999999 111.093 -179.556 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.855 ' SG ' ' HD3' ' A' ' 47' ' ' ARG . 15.7 p -141.73 17.21 2.16 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.423 -1.423 . . . . 0.53000000000000003 112.178 -179.484 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 52.6 15.93 0.58 Allowed 'General case' 0 N--CA 1.51 2.545 0 O-C-N 121.107 -0.995 . . . . 2.3599999999999999 113.359 178.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.604 HG22 ' SG ' ' A' ' 10' ' ' CYS . 13.1 t -85.02 131.94 34.4 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 120.192 -1.568 . . . . 0.42999999999999999 110.299 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.5 p -91.02 -21.07 21.45 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.642 -0.661 . . . . 1.0600000000000001 109.462 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.521 ' HB ' HG13 ' A' ' 51' ' ' ILE . 38.4 p -97.36 120.43 37.71 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 108.612 -0.884 . . . . 0.63 108.612 179.316 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.481 ' HB ' ' HB2' ' A' ' 28' ' ' CYS . 8.2 p -140.35 147.06 39.25 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.036 -1.04 . . . . 0.37 110.419 -179.401 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.694 ' HB ' ' C7 ' ' C' ' 125' ' ' ' DT' . 64.5 p -70.63 -35.12 72.76 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 108.788 -0.819 . . . . 0.52000000000000002 108.788 179.175 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.934 HD11 ' O6 ' ' B' ' 107' ' ' ' DG' . 50.2 mt -145.6 110.15 5.05 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 109.0 -0.741 . . . . 1.0600000000000001 109.0 179.201 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.474 ' CD1' ' HG2' ' A' ' 2' ' ' ARG . 12.0 m95 -69.2 102.68 1.74 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.089 -1.007 . . . . 0.5 109.735 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.77 91.77 8.06 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.49 -0.756 . . . . 2.6800000000000002 109.653 -179.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.03 101.54 1.43 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.48 -0.762 . . . . 2.1800000000000002 109.441 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.9 t -65.35 139.46 97.41 Favored Pre-proline 0 N--CA 1.498 1.941 0 O-C-N 121.224 -0.923 . . . . 1.48 109.489 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -54.23 -33.45 75.32 Favored 'Trans proline' 0 C--N 1.319 -0.977 0 C-N-CA 122.631 2.221 . . . . 1.3500000000000001 111.086 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.0 mtt -63.62 -20.74 65.92 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.248 -0.908 . . . . 3.4900000000000002 109.815 178.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 108.88 33.28 2.86 Favored Glycine 0 N--CA 1.495 2.577 0 N-CA-C 109.233 -1.547 . . . . 1.0900000000000001 109.233 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -124.9 102.06 32.01 Favored Pre-proline 0 N--CA 1.494 1.745 0 O-C-N 121.445 -1.032 . . . . 1.4399999999999999 110.2 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.517 ' CB ' HG23 ' A' ' 5' ' ' THR . 2.8 Cg_endo -64.48 101.63 0.37 Allowed 'Trans proline' 0 C--N 1.312 -1.366 0 C-N-CA 122.183 1.922 . . . . 0.64000000000000001 109.554 178.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.52 ' HA ' ' SG ' ' A' ' 7' ' ' CYS . 2.0 m -115.31 124.2 71.63 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 O-C-N 121.145 -0.972 . . . . 0.5 110.668 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.481 ' HB2' ' HB ' ' A' ' 15' ' ' THR . 7.0 p -48.83 133.52 17.52 Favored 'General case' 0 N--CA 1.484 1.228 0 CA-C-O 121.344 0.592 . . . . 0.38 109.564 179.249 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.676 ' HB2' ' HB2' ' A' ' 17' ' ' LEU . 20.0 t-20 -37.33 -46.38 0.76 Allowed 'General case' 0 N--CA 1.504 2.232 0 O-C-N 121.768 -0.582 . . . . 0.90000000000000002 111.762 -178.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -47.97 -44.72 30.62 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.272 -0.892 . . . . 0.45000000000000001 110.945 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.462 ' O ' ' HB2' ' A' ' 35' ' ' TYR . 16.2 m -65.18 -43.1 92.79 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.251 -0.906 . . . . 0.48999999999999999 108.757 179.416 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.42 -36.74 93.78 Favored Glycine 0 N--CA 1.493 2.481 0 N-CA-C 110.487 -1.045 . . . . 0.62 110.487 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 33' ' ' LEU . 43.8 mt -71.81 -66.0 0.69 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.234 -1.156 . . . . 0.62 110.075 -179.475 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.947 ' CD1' ' HD3' ' A' ' 42' ' ' ARG . 3.9 t80 -52.07 -41.64 62.54 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.983 -1.073 . . . . 1.1000000000000001 109.195 179.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.479 ' O ' ' N ' ' A' ' 39' ' ' GLN . 36.8 t80 -51.62 -43.69 62.64 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.981 -1.074 . . . . 1.0 108.596 179.109 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.84 -29.68 70.85 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.66 -1.275 . . . . 1.9399999999999999 109.92 178.534 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.463 ' HB2' ' O ' ' A' ' 34' ' ' TYR . 10.6 mp -64.31 -66.26 0.57 Allowed 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.097 -1.002 . . . . 1.1499999999999999 110.609 -179.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.467 ' CD2' ' CZ ' ' A' ' 34' ' ' TYR . 57.7 m-70 -97.45 -15.28 20.7 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.148 -0.97 . . . . 1.3600000000000001 110.928 -179.135 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.615 ' CG ' ' O ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER 65.85 38.35 5.14 Favored 'General case' 0 N--CA 1.5 2.075 0 CA-C-O 122.547 1.165 . . . . 2.8500000000000001 109.934 179.673 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.442 HG22 ' HB2' ' A' ' 38' ' ' HIS . 2.3 m -132.73 176.95 7.9 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 120.558 -1.339 . . . . 1.1599999999999999 111.202 179.415 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 -81.69 125.35 30.49 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 121.161 -0.962 . . . . 1.9199999999999999 113.074 -178.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.947 ' HD3' ' CD1' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -82.92 126.09 73.58 Favored Pre-proline 0 N--CA 1.502 2.162 0 N-CA-C 113.88 1.067 . . . . 6.8200000000000003 113.88 -178.742 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.57 ' HB2' HG23 ' A' ' 45' ' ' THR . 7.4 Cg_endo -76.17 131.28 12.82 Favored 'Trans proline' 0 C--N 1.315 -1.195 0 N-CA-C 106.518 -2.147 . . . . 1.8500000000000001 106.518 174.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.62 30.85 0.09 Allowed 'General case' 0 N--CA 1.503 2.183 0 O-C-N 120.302 -1.499 . . . . 1.45 111.9 -178.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.57 HG23 ' HB2' ' A' ' 43' ' ' PRO . 34.3 p -69.38 -26.8 64.84 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 120.59 -1.319 . . . . 1.6599999999999999 108.879 178.288 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -88.39 7.47 32.46 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.579 -0.7 . . . . 1.3100000000000001 110.062 179.442 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.855 ' HD3' ' SG ' ' A' ' 10' ' ' CYS . 0.5 OUTLIER -69.1 170.68 9.53 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.832 -1.168 . . . . 4.6100000000000003 109.726 179.886 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.481 ' HG3' ' OE1' ' A' ' 52' ' ' GLN . 0.2 OUTLIER -152.14 163.59 39.04 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.277 -0.889 . . . . 3.0899999999999999 109.409 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -56.29 -62.5 1.67 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.678 -0.639 . . . . 2.6000000000000001 110.081 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -109.61 165.16 12.37 Favored Glycine 0 N--CA 1.497 2.748 0 N-CA-C 110.124 -1.19 . . . . 0.78000000000000003 110.124 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.521 HG13 ' HB ' ' A' ' 14' ' ' THR . 6.0 mt -54.92 126.99 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.429 -1.041 . . . . 0.62 110.094 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.481 ' OE1' ' HG3' ' A' ' 48' ' ' LYS . 1.8 mt-30 -61.88 150.75 36.54 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.434 -0.791 . . . . 2.23 109.123 178.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -155.36 160.24 40.55 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.92 -1.113 . . . . 0.73999999999999999 109.203 179.258 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.463 ' NH1' ' HG2' ' A' ' 54' ' ' ARG . 8.1 mtt-85 -151.45 -166.44 2.52 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.755 -0.591 . . . . 2.8900000000000001 109.991 -179.062 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -60.9 96.86 0.05 Allowed 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 107.988 -1.116 . . . . 2.21 107.988 178.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.426 ' HD3' ' OP1' ' C' ' 126' ' ' ' DC' . 0.0 OUTLIER -41.76 137.86 1.59 Allowed 'General case' 0 N--CA 1.498 1.964 0 CA-C-O 121.565 0.698 . . . . 2.1899999999999999 110.853 -178.091 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.5 ttpt -53.98 131.06 39.72 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.622 -0.673 . . . . 1.0900000000000001 109.769 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.9 p -62.17 145.36 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.824 0 O-C-N 121.373 -0.829 . . . . 1.9299999999999999 109.228 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 29.4 p -61.2 114.51 3.19 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.098 -1.001 . . . . 2.2799999999999998 109.863 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.2 t . . . . . 0 N--CA 1.496 1.859 0 O-C-N 121.363 -0.836 . . . . 2.75 109.769 -179.73 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_