data_1mzt_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 1mzt _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 ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.498 0 CA-C-O 121.066 0.46 . . . . 0.0 110.04 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . . . -64.79 -40.04 94.59 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.017 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.04 -39.44 93.34 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-N 114.879 -1.055 . . . . 0.0 109.924 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.28 -38.72 85.52 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.034 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . . . -62.53 -40.02 95.44 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-N 114.959 -1.019 . . . . 0.0 110.01 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . . . -56.47 -50.87 70.47 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-N 115.025 -0.988 . . . . 0.0 110.085 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . . . -60.42 -40.92 92.74 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-N 115.072 -0.967 . . . . 0.0 109.971 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . . . -56.33 -63.93 1.03 Allowed 'General case' 0 C--O 1.24 0.584 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.017 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . . . -45.82 -42.25 12.04 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.942 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.622 ' O ' ' N ' ' A' ' 20' ' ' GLU . . . -60.71 -44.27 96.81 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.032 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 1.08 ' O ' ' CA ' ' A' ' 24' ' ' TYR . . . -59.56 -46.81 87.82 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-N 114.93 -1.032 . . . . 0.0 109.874 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.78 -37.71 87.77 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.024 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.43 ' O ' ' C ' ' A' ' 20' ' ' GLU . . . -93.08 -81.76 0.35 Allowed 'General case' 0 C--O 1.24 0.577 0 CA-C-N 115.063 -0.971 . . . . 0.0 109.989 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.622 ' N ' ' O ' ' A' ' 16' ' ' ALA . . . -37.2 132.45 0.74 Allowed 'General case' 0 C--O 1.241 0.637 0 CA-C-N 114.997 -1.002 . . . . 0.0 109.955 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . . . -59.64 -51.06 71.42 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.958 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.438 ' O ' ' N ' ' A' ' 26' ' ' TRP . . . -67.69 -38.02 79.63 Favored 'Isoleucine or valine' 0 C--O 1.24 0.575 0 CA-C-N 115.053 -0.976 . . . . 0.0 109.954 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.59 ' C ' ' CA ' ' A' ' 17' ' ' SER . . . -60.18 -55.0 32.63 Favored Glycine 0 CA--C 1.531 1.048 0 N-CA-C 110.054 -1.218 . . . . 0.0 110.054 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 1.08 ' CA ' ' O ' ' A' ' 17' ' ' SER . . . -61.99 -65.33 0.71 Allowed 'General case' 0 C--O 1.24 0.565 0 CA-C-N 114.967 -0.616 . . . . 0.0 110.102 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 29' ' ' VAL . . . -50.14 -48.99 53.45 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-N 114.947 -1.024 . . . . 0.0 110.063 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.467 ' O ' ' N ' ' A' ' 30' ' ' VAL . . . -57.19 -44.16 83.36 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.957 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.9 -32.88 71.16 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.988 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . . . -86.04 -63.79 1.26 Allowed 'General case' 0 C--O 1.239 0.544 0 CA-C-N 114.911 -1.04 . . . . 0.0 109.913 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.499 ' N ' ' O ' ' A' ' 25' ' ' ALA . . . -54.39 -48.51 68.56 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.988 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.467 ' N ' ' O ' ' A' ' 26' ' ' TRP . . . -68.63 -54.32 21.85 Favored 'Isoleucine or valine' 0 C--O 1.241 0.634 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.917 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -51.32 -36.54 17.27 Favored 'Isoleucine or valine' 0 C--O 1.241 0.613 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.983 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.508 ' O ' ' N ' ' A' ' 36' ' ' THR . . . -72.45 -43.4 63.72 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.929 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.728 ' O ' ' N ' ' A' ' 37' ' ' ILE . . . -66.57 -54.78 22.4 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.062 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.723 ' O ' ' N ' ' A' ' 38' ' ' GLY . . . -54.49 -59.49 10.05 Favored Glycine 0 CA--C 1.531 1.074 0 N-CA-C 110.027 -1.229 . . . . 0.0 110.027 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.504 ' O ' ' N ' ' A' ' 39' ' ' ILE . . . -63.42 -57.42 10.33 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-N 114.982 -0.609 . . . . 0.0 110.088 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.825 ' O ' ' N ' ' A' ' 41' ' ' LEU . . . -57.86 -54.56 45.47 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-N 114.957 -1.02 . . . . 0.0 110.007 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.954 ' O ' ' CA ' ' A' ' 41' ' ' LEU . . . -68.44 -52.42 37.01 Favored 'Isoleucine or valine' 0 C--O 1.241 0.607 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.044 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.723 ' N ' ' O ' ' A' ' 34' ' ' GLY . . . -58.16 -67.67 2.08 Favored Glycine 0 CA--C 1.531 1.056 0 N-CA-C 110.0 -1.24 . . . . 0.0 110.0 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.504 ' N ' ' O ' ' A' ' 35' ' ' ALA . . . -73.55 -58.67 4.43 Favored 'Isoleucine or valine' 0 C--O 1.24 0.574 0 CA-C-N 114.948 -0.626 . . . . 0.0 109.975 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.762 ' CA ' ' O ' ' A' ' 36' ' ' THR . . . -65.6 -34.66 78.76 Favored 'General case' 0 C--O 1.241 0.636 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.0 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.954 ' CA ' ' O ' ' A' ' 37' ' ' ILE . . . -65.11 -47.42 77.24 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.109 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.402 ' O ' ' O ' ' A' ' 45' ' ' PHE . . . -63.21 -29.33 70.69 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-N 114.913 -1.039 . . . . 0.0 110.089 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . . . -61.67 -63.15 1.36 Allowed 'General case' 0 C--O 1.24 0.568 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.015 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . . . -69.53 -51.58 34.32 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.015 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.402 ' O ' ' O ' ' A' ' 42' ' ' PHE . . . . . . . . 0 C--O 1.24 0.6 0 CA-C-N 115.01 -0.995 . . . . 0.0 110.003 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.498 0 CA-C-O 121.066 0.46 . . . . 0.0 110.04 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . . . -64.79 -40.04 94.59 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.017 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.04 -39.44 93.34 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-N 114.879 -1.055 . . . . 0.0 109.924 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.28 -38.72 85.52 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.034 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . . . -62.53 -40.02 95.44 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-N 114.959 -1.019 . . . . 0.0 110.01 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . . . -56.47 -50.87 70.47 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-N 115.025 -0.988 . . . . 0.0 110.085 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . . . -60.42 -40.92 92.74 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-N 115.072 -0.967 . . . . 0.0 109.971 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . . . -56.33 -63.93 1.03 Allowed 'General case' 0 C--O 1.24 0.584 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.017 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . . . -45.82 -42.25 12.04 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.942 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.622 ' O ' ' N ' ' A' ' 20' ' ' GLU . . . -60.71 -44.27 96.81 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.032 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . 1.08 ' O ' ' CA ' ' A' ' 24' ' ' TYR . . . -59.56 -46.81 87.82 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-N 114.93 -1.032 . . . . 0.0 109.874 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.78 -37.71 87.77 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.024 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.43 ' O ' ' C ' ' A' ' 20' ' ' GLU . . . -93.08 -81.76 0.35 Allowed 'General case' 0 C--O 1.24 0.577 0 CA-C-N 115.063 -0.971 . . . . 0.0 109.989 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.622 ' N ' ' O ' ' A' ' 16' ' ' ALA . . . -37.2 132.45 0.74 Allowed 'General case' 0 C--O 1.241 0.637 0 CA-C-N 114.997 -1.002 . . . . 0.0 109.955 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . . . -59.64 -51.06 71.42 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.958 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.438 ' O ' ' N ' ' A' ' 26' ' ' TRP . . . -67.69 -38.02 79.63 Favored 'Isoleucine or valine' 0 C--O 1.24 0.575 0 CA-C-N 115.053 -0.976 . . . . 0.0 109.954 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.59 ' C ' ' CA ' ' A' ' 17' ' ' SER . . . -60.18 -55.0 32.63 Favored Glycine 0 CA--C 1.531 1.048 0 N-CA-C 110.054 -1.218 . . . . 0.0 110.054 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 1.08 ' CA ' ' O ' ' A' ' 17' ' ' SER . . . -61.99 -65.33 0.71 Allowed 'General case' 0 C--O 1.24 0.565 0 CA-C-N 114.967 -0.616 . . . . 0.0 110.102 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 29' ' ' VAL . . . -50.14 -48.99 53.45 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-N 114.947 -1.024 . . . . 0.0 110.063 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.467 ' O ' ' N ' ' A' ' 30' ' ' VAL . . . -57.19 -44.16 83.36 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.957 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.9 -32.88 71.16 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.988 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . . . -86.04 -63.79 1.26 Allowed 'General case' 0 C--O 1.239 0.544 0 CA-C-N 114.911 -1.04 . . . . 0.0 109.913 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.499 ' N ' ' O ' ' A' ' 25' ' ' ALA . . . -54.39 -48.51 68.56 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.988 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.467 ' N ' ' O ' ' A' ' 26' ' ' TRP . . . -68.63 -54.32 21.85 Favored 'Isoleucine or valine' 0 C--O 1.241 0.634 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.917 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -51.32 -36.54 17.27 Favored 'Isoleucine or valine' 0 C--O 1.241 0.613 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.983 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.508 ' O ' ' N ' ' A' ' 36' ' ' THR . . . -72.45 -43.4 63.72 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.929 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.728 ' O ' ' N ' ' A' ' 37' ' ' ILE . . . -66.57 -54.78 22.4 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.062 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.723 ' O ' ' N ' ' A' ' 38' ' ' GLY . . . -54.49 -59.49 10.05 Favored Glycine 0 CA--C 1.531 1.074 0 N-CA-C 110.027 -1.229 . . . . 0.0 110.027 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.504 ' O ' ' N ' ' A' ' 39' ' ' ILE . . . -63.42 -57.42 10.33 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-N 114.982 -0.609 . . . . 0.0 110.088 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.825 ' O ' ' N ' ' A' ' 41' ' ' LEU . . . -57.86 -54.56 45.47 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-N 114.957 -1.02 . . . . 0.0 110.007 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.954 ' O ' ' CA ' ' A' ' 41' ' ' LEU . . . -68.44 -52.42 37.01 Favored 'Isoleucine or valine' 0 C--O 1.241 0.607 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.044 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.723 ' N ' ' O ' ' A' ' 34' ' ' GLY . . . -58.16 -67.67 2.08 Favored Glycine 0 CA--C 1.531 1.056 0 N-CA-C 110.0 -1.24 . . . . 0.0 110.0 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.504 ' N ' ' O ' ' A' ' 35' ' ' ALA . . . -73.55 -58.67 4.43 Favored 'Isoleucine or valine' 0 C--O 1.24 0.574 0 CA-C-N 114.948 -0.626 . . . . 0.0 109.975 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.762 ' CA ' ' O ' ' A' ' 36' ' ' THR . . . -65.6 -34.66 78.76 Favored 'General case' 0 C--O 1.241 0.636 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.0 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.954 ' CA ' ' O ' ' A' ' 37' ' ' ILE . . . -65.11 -47.42 77.24 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.109 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.402 ' O ' ' O ' ' A' ' 45' ' ' PHE . . . -63.21 -29.33 70.69 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-N 114.913 -1.039 . . . . 0.0 110.089 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . . . -61.67 -63.15 1.36 Allowed 'General case' 0 C--O 1.24 0.568 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.015 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . . . -69.53 -51.58 34.32 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.015 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.402 ' O ' ' O ' ' A' ' 42' ' ' PHE . . . . . . . . 0 C--O 1.24 0.6 0 CA-C-N 115.01 -0.995 . . . . 0.0 110.003 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.498 0 CA-C-O 121.066 0.46 . . . . 0.0 110.04 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . . . -64.79 -40.04 94.59 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.017 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.04 -39.44 93.34 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-N 114.879 -1.055 . . . . 0.0 109.924 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.28 -38.72 85.52 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.034 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . . . -62.53 -40.02 95.44 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-N 114.959 -1.019 . . . . 0.0 110.01 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . . . -56.47 -50.87 70.47 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-N 115.025 -0.988 . . . . 0.0 110.085 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . . . -60.42 -40.92 92.74 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-N 115.072 -0.967 . . . . 0.0 109.971 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . . . -56.33 -63.93 1.03 Allowed 'General case' 0 C--O 1.24 0.584 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.017 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . . . -45.82 -42.25 12.04 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.942 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.622 ' O ' ' N ' ' A' ' 20' ' ' GLU . . . -60.71 -44.27 96.81 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.032 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 1.08 ' O ' ' CA ' ' A' ' 24' ' ' TYR . . . -59.56 -46.81 87.82 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-N 114.93 -1.032 . . . . 0.0 109.874 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.78 -37.71 87.77 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.024 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.43 ' O ' ' C ' ' A' ' 20' ' ' GLU . . . -93.08 -81.76 0.35 Allowed 'General case' 0 C--O 1.24 0.577 0 CA-C-N 115.063 -0.971 . . . . 0.0 109.989 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.622 ' N ' ' O ' ' A' ' 16' ' ' ALA . . . -37.2 132.45 0.74 Allowed 'General case' 0 C--O 1.241 0.637 0 CA-C-N 114.997 -1.002 . . . . 0.0 109.955 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . . . -59.64 -51.06 71.42 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.958 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.438 ' O ' ' N ' ' A' ' 26' ' ' TRP . . . -67.69 -38.02 79.63 Favored 'Isoleucine or valine' 0 C--O 1.24 0.575 0 CA-C-N 115.053 -0.976 . . . . 0.0 109.954 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.59 ' C ' ' CA ' ' A' ' 17' ' ' SER . . . -60.18 -55.0 32.63 Favored Glycine 0 CA--C 1.531 1.048 0 N-CA-C 110.054 -1.218 . . . . 0.0 110.054 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 1.08 ' CA ' ' O ' ' A' ' 17' ' ' SER . . . -61.99 -65.33 0.71 Allowed 'General case' 0 C--O 1.24 0.565 0 CA-C-N 114.967 -0.616 . . . . 0.0 110.102 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 29' ' ' VAL . . . -50.14 -48.99 53.45 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-N 114.947 -1.024 . . . . 0.0 110.063 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.467 ' O ' ' N ' ' A' ' 30' ' ' VAL . . . -57.19 -44.16 83.36 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.957 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.9 -32.88 71.16 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.988 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . . . -86.04 -63.79 1.26 Allowed 'General case' 0 C--O 1.239 0.544 0 CA-C-N 114.911 -1.04 . . . . 0.0 109.913 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.499 ' N ' ' O ' ' A' ' 25' ' ' ALA . . . -54.39 -48.51 68.56 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.988 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.467 ' N ' ' O ' ' A' ' 26' ' ' TRP . . . -68.63 -54.32 21.85 Favored 'Isoleucine or valine' 0 C--O 1.241 0.634 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.917 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -51.32 -36.54 17.27 Favored 'Isoleucine or valine' 0 C--O 1.241 0.613 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.983 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.508 ' O ' ' N ' ' A' ' 36' ' ' THR . . . -72.45 -43.4 63.72 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.929 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.728 ' O ' ' N ' ' A' ' 37' ' ' ILE . . . -66.57 -54.78 22.4 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.062 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.723 ' O ' ' N ' ' A' ' 38' ' ' GLY . . . -54.49 -59.49 10.05 Favored Glycine 0 CA--C 1.531 1.074 0 N-CA-C 110.027 -1.229 . . . . 0.0 110.027 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.504 ' O ' ' N ' ' A' ' 39' ' ' ILE . . . -63.42 -57.42 10.33 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-N 114.982 -0.609 . . . . 0.0 110.088 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.825 ' O ' ' N ' ' A' ' 41' ' ' LEU . . . -57.86 -54.56 45.47 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-N 114.957 -1.02 . . . . 0.0 110.007 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.954 ' O ' ' CA ' ' A' ' 41' ' ' LEU . . . -68.44 -52.42 37.01 Favored 'Isoleucine or valine' 0 C--O 1.241 0.607 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.044 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.723 ' N ' ' O ' ' A' ' 34' ' ' GLY . . . -58.16 -67.67 2.08 Favored Glycine 0 CA--C 1.531 1.056 0 N-CA-C 110.0 -1.24 . . . . 0.0 110.0 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.504 ' N ' ' O ' ' A' ' 35' ' ' ALA . . . -73.55 -58.67 4.43 Favored 'Isoleucine or valine' 0 C--O 1.24 0.574 0 CA-C-N 114.948 -0.626 . . . . 0.0 109.975 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.762 ' CA ' ' O ' ' A' ' 36' ' ' THR . . . -65.6 -34.66 78.76 Favored 'General case' 0 C--O 1.241 0.636 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.0 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.954 ' CA ' ' O ' ' A' ' 37' ' ' ILE . . . -65.11 -47.42 77.24 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.109 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.402 ' O ' ' O ' ' A' ' 45' ' ' PHE . . . -63.21 -29.33 70.69 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-N 114.913 -1.039 . . . . 0.0 110.089 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . . . -61.67 -63.15 1.36 Allowed 'General case' 0 C--O 1.24 0.568 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.015 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . . . -69.53 -51.58 34.32 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.015 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.402 ' O ' ' O ' ' A' ' 42' ' ' PHE . . . . . . . . 0 C--O 1.24 0.6 0 CA-C-N 115.01 -0.995 . . . . 0.0 110.003 -179.981 . . . . . . . . 1 1 . 1 stop_ save_