data_1fh1_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 1fh1 _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 ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.603 0 CA-C-O 122.015 0.912 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . . . -57.06 -47.07 81.86 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.856 0.836 . . . . 0.0 110.919 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.561 ' C ' ' H ' ' A' ' 10' ' ' ILE . . . -56.76 -47.12 80.83 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 122.066 0.936 . . . . 0.0 111.074 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 1.063 ' O ' ' N ' ' A' ' 11' ' ' SER . . . -57.11 -46.77 82.34 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 122.056 0.931 . . . . 0.0 111.052 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 1.271 ' H ' ' N ' ' A' ' 9' ' ' ILE 0.328 . . -42.89 -31.1 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.69 1 N-CA-C 85.139 -9.578 . . . . 0.0 85.139 179.979 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.998 ' N ' ' C ' ' A' ' 8' ' ' GLU . . . -57.06 -46.91 84.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.961 0.886 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 1.063 ' N ' ' O ' ' A' ' 8' ' ' GLU . . . -57.13 -46.92 82.28 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.904 0.859 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.674 ' C ' ' H ' ' A' ' 13' ' ' ILE . . . -56.95 -46.84 81.83 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 122.086 0.946 . . . . 0.0 111.163 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 1.162 ' N ' ' H ' ' A' ' 13' ' ' ILE 0.643 . . -33.82 -69.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.622 1 N-CA-C 154.895 16.257 . . . . 0.0 154.895 179.977 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . . . -57.03 -46.98 81.96 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.987 0.899 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -56.99 -47.0 81.86 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 122.042 0.925 . . . . 0.0 111.008 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . . . -56.97 -47.06 81.64 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 122.077 0.941 . . . . 0.0 111.037 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.669 0 CA-C-O 121.978 0.894 . . . . 0.0 110.983 179.926 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.626 0 CA-C-O 122.003 0.906 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 1.306 ' HA3' ' CA ' ' A' ' 47' ' ' GLY . . . -56.99 -47.01 90.64 Favored Glycine 0 C--N 1.32 -0.356 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . . . -56.99 -47.0 81.85 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.936 0.874 . . . . 0.0 110.988 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.08 -46.92 82.15 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.983 0.897 . . . . 0.0 110.967 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.986 ' N ' ' H ' ' A' ' 50' ' ' ASP 0.992 . . -99.36 -89.3 0.32 Allowed 'General case' 0 C--N 1.32 -0.716 1 N-CA-C 140.382 10.882 . . . . 0.0 140.382 180.0 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.765 ' O ' ' CB ' ' A' ' 55' ' ' LEU . . . -56.97 -46.97 84.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 122.025 0.917 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.7 ' O ' ' CB ' ' A' ' 56' ' ' GLU . . . -57.14 -46.95 82.26 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.989 0.9 . . . . 0.0 110.953 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.931 ' N ' ' H ' ' A' ' 53' ' ' TRP 0.788 . . -44.84 -80.7 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.053 0.93 . . . . 0.0 109.738 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . . . -57.03 -46.91 82.03 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.999 0.904 . . . . 0.0 111.042 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.765 ' CB ' ' O ' ' A' ' 51' ' ' VAL . . . -57.03 -47.05 81.84 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.948 0.88 . . . . 0.0 110.955 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.7 ' CB ' ' O ' ' A' ' 52' ' ' LEU . . . -56.94 -47.07 81.51 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.997 0.903 . . . . 0.0 110.95 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . . . -57.05 -46.89 82.08 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.938 0.875 . . . . 0.0 111.017 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.688 0 CA-C-O 122.067 0.937 . . . . 0.0 110.966 179.957 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.591 0 CA-C-O 122.031 0.92 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . . . -56.93 -47.14 83.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 121.908 0.861 . . . . 0.0 110.903 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 1.313 ' CA ' ' HA3' ' A' ' 78' ' ' GLY . . . -56.93 -46.99 90.3 Favored Glycine 0 C--N 1.319 -0.41 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -57.08 -46.9 82.15 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.964 0.888 . . . . 0.0 111.017 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 1.318 ' N ' ' H ' ' A' ' 80' ' ' VAL 1.516 . . 145.5 7.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.692 1 N-CA-C 154.466 16.099 . . . . 0.0 154.466 179.991 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 1.208 ' O ' ' N ' ' A' ' 83' ' ' ALA . . . -57.03 -46.91 84.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 122.046 0.927 . . . . 0.0 111.101 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.753 ' C ' ' O ' ' A' ' 81' ' ' VAL 0.585 . . -22.06 -24.02 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 104.495 -2.409 . . . . 0.0 104.495 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 1.208 ' N ' ' O ' ' A' ' 81' ' ' VAL . . . -57.11 -46.89 82.25 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.027 0.918 . . . . 0.0 111.018 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.69 ' N ' ' O ' ' A' ' 81' ' ' VAL . . . -56.92 -47.09 83.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 122.095 0.95 . . . . 0.0 111.008 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . . . -57.0 -46.97 81.92 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 122.011 0.91 . . . . 0.0 110.966 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 1.315 ' HA3' ' CA ' ' A' ' 86' ' ' GLY . . . . . . . . 0 C--N 1.32 -0.345 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.603 0 CA-C-O 122.015 0.912 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . . . -57.06 -47.07 81.86 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.856 0.836 . . . . 0.0 110.919 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.616 ' C ' ' H ' ' A' ' 10' ' ' ILE . . . -56.76 -47.12 80.83 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 122.066 0.936 . . . . 0.0 111.074 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 1.063 ' O ' ' N ' ' A' ' 11' ' ' SER . . . -57.11 -46.77 82.34 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 122.056 0.931 . . . . 0.0 111.052 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.851 ' C ' ' O ' ' A' ' 8' ' ' GLU 0.328 . . -42.89 -31.1 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.69 1 N-CA-C 85.139 -9.578 . . . . 0.0 85.139 179.979 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.998 ' N ' ' C ' ' A' ' 8' ' ' GLU . . . -57.06 -46.91 84.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.961 0.886 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . 1.063 ' N ' ' O ' ' A' ' 8' ' ' GLU . . . -57.13 -46.92 82.28 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.904 0.859 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.95 -46.84 81.83 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 122.086 0.946 . . . . 0.0 111.163 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . 0.643 . . -33.82 -69.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.622 1 N-CA-C 154.895 16.257 . . . . 0.0 154.895 179.977 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . . . -57.03 -46.98 81.96 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.987 0.899 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -56.99 -47.0 81.86 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 122.042 0.925 . . . . 0.0 111.008 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . . . -56.97 -47.06 81.64 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 122.077 0.941 . . . . 0.0 111.037 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.669 0 CA-C-O 121.978 0.894 . . . . 0.0 110.983 179.926 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.626 0 CA-C-O 122.003 0.906 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.99 -47.01 90.64 Favored Glycine 0 C--N 1.32 -0.356 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . . . -56.99 -47.0 81.85 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.936 0.874 . . . . 0.0 110.988 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.08 -46.92 82.15 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.983 0.897 . . . . 0.0 110.967 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . 0.992 . . -99.36 -89.3 0.32 Allowed 'General case' 0 C--N 1.32 -0.716 1 N-CA-C 140.382 10.882 . . . . 0.0 140.382 180.0 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.765 ' O ' ' CB ' ' A' ' 55' ' ' LEU . . . -56.97 -46.97 84.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 122.025 0.917 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.7 ' O ' ' CB ' ' A' ' 56' ' ' GLU . . . -57.14 -46.95 82.26 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.989 0.9 . . . . 0.0 110.953 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . 0.788 . . -44.84 -80.7 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.053 0.93 . . . . 0.0 109.738 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . . . -57.03 -46.91 82.03 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.999 0.904 . . . . 0.0 111.042 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.765 ' CB ' ' O ' ' A' ' 51' ' ' VAL . . . -57.03 -47.05 81.84 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.948 0.88 . . . . 0.0 110.955 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.7 ' CB ' ' O ' ' A' ' 52' ' ' LEU . . . -56.94 -47.07 81.51 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.997 0.903 . . . . 0.0 110.95 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . . . -57.05 -46.89 82.08 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.938 0.875 . . . . 0.0 111.017 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.688 0 CA-C-O 122.067 0.937 . . . . 0.0 110.966 179.957 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.591 0 CA-C-O 122.031 0.92 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . . . -56.93 -47.14 83.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 121.908 0.861 . . . . 0.0 110.903 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.93 -46.99 90.3 Favored Glycine 0 C--N 1.319 -0.41 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -57.08 -46.9 82.15 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.964 0.888 . . . . 0.0 111.017 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 1.516 . . 145.5 7.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.692 1 N-CA-C 154.466 16.099 . . . . 0.0 154.466 179.991 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 1.208 ' O ' ' N ' ' A' ' 83' ' ' ALA . . . -57.03 -46.91 84.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 122.046 0.927 . . . . 0.0 111.101 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.753 ' C ' ' O ' ' A' ' 81' ' ' VAL 0.585 . . -22.06 -24.02 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 104.495 -2.409 . . . . 0.0 104.495 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 1.208 ' N ' ' O ' ' A' ' 81' ' ' VAL . . . -57.11 -46.89 82.25 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.027 0.918 . . . . 0.0 111.018 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.69 ' N ' ' O ' ' A' ' 81' ' ' VAL . . . -56.92 -47.09 83.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 122.095 0.95 . . . . 0.0 111.008 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . . . -57.0 -46.97 81.92 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 122.011 0.91 . . . . 0.0 110.966 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.345 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.876 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.603 0 CA-C-O 122.015 0.912 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . . . -57.06 -47.07 81.86 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.856 0.836 . . . . 0.0 110.919 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.616 ' C ' ' H ' ' A' ' 10' ' ' ILE . . . -56.76 -47.12 80.83 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 122.066 0.936 . . . . 0.0 111.074 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 1.063 ' O ' ' N ' ' A' ' 11' ' ' SER . . . -57.11 -46.77 82.34 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 122.056 0.931 . . . . 0.0 111.052 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.851 ' C ' ' O ' ' A' ' 8' ' ' GLU 0.328 . . -42.89 -31.1 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.69 1 N-CA-C 85.139 -9.578 . . . . 0.0 85.139 179.979 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.998 ' N ' ' C ' ' A' ' 8' ' ' GLU . . . -57.06 -46.91 84.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.961 0.886 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 1.063 ' N ' ' O ' ' A' ' 8' ' ' GLU . . . -57.13 -46.92 82.28 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.904 0.859 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.95 -46.84 81.83 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 122.086 0.946 . . . . 0.0 111.163 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . 0.643 . . -33.82 -69.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.622 1 N-CA-C 154.895 16.257 . . . . 0.0 154.895 179.977 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . . . -57.03 -46.98 81.96 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.987 0.899 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -56.99 -47.0 81.86 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 122.042 0.925 . . . . 0.0 111.008 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . . . -56.97 -47.06 81.64 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 122.077 0.941 . . . . 0.0 111.037 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.669 0 CA-C-O 121.978 0.894 . . . . 0.0 110.983 179.926 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.626 0 CA-C-O 122.003 0.906 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.99 -47.01 90.64 Favored Glycine 0 C--N 1.32 -0.356 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . . . -56.99 -47.0 81.85 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.936 0.874 . . . . 0.0 110.988 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.08 -46.92 82.15 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.983 0.897 . . . . 0.0 110.967 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . 0.992 . . -99.36 -89.3 0.32 Allowed 'General case' 0 C--N 1.32 -0.716 1 N-CA-C 140.382 10.882 . . . . 0.0 140.382 180.0 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.765 ' O ' ' CB ' ' A' ' 55' ' ' LEU . . . -56.97 -46.97 84.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 122.025 0.917 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.7 ' O ' ' CB ' ' A' ' 56' ' ' GLU . . . -57.14 -46.95 82.26 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.989 0.9 . . . . 0.0 110.953 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . 0.788 . . -44.84 -80.7 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.053 0.93 . . . . 0.0 109.738 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . . . -57.03 -46.91 82.03 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.999 0.904 . . . . 0.0 111.042 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.765 ' CB ' ' O ' ' A' ' 51' ' ' VAL . . . -57.03 -47.05 81.84 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.948 0.88 . . . . 0.0 110.955 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.7 ' CB ' ' O ' ' A' ' 52' ' ' LEU . . . -56.94 -47.07 81.51 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.997 0.903 . . . . 0.0 110.95 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . . . -57.05 -46.89 82.08 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.938 0.875 . . . . 0.0 111.017 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.688 0 CA-C-O 122.067 0.937 . . . . 0.0 110.966 179.957 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.591 0 CA-C-O 122.031 0.92 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . . . -56.93 -47.14 83.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 121.908 0.861 . . . . 0.0 110.903 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.93 -46.99 90.3 Favored Glycine 0 C--N 1.319 -0.41 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . . . -57.08 -46.9 82.15 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.964 0.888 . . . . 0.0 111.017 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 1.516 . . 145.5 7.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.692 1 N-CA-C 154.466 16.099 . . . . 0.0 154.466 179.991 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 1.208 ' O ' ' N ' ' A' ' 83' ' ' ALA . . . -57.03 -46.91 84.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 122.046 0.927 . . . . 0.0 111.101 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.753 ' C ' ' O ' ' A' ' 81' ' ' VAL 0.585 . . -22.06 -24.02 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 104.495 -2.409 . . . . 0.0 104.495 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 1.208 ' N ' ' O ' ' A' ' 81' ' ' VAL . . . -57.11 -46.89 82.25 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.027 0.918 . . . . 0.0 111.018 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.69 ' N ' ' O ' ' A' ' 81' ' ' VAL . . . -56.92 -47.09 83.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 122.095 0.95 . . . . 0.0 111.008 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . . . -57.0 -46.97 81.92 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 122.011 0.91 . . . . 0.0 110.966 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.345 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.876 . . . . . . . . 0 0 . 1 stop_ save_