data_1hod_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 1hod _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 ' 1' ' ' THR . . . . . 1.409 HG22 ' CB ' ' A' ' 1' ' ' THR 0.328 23.2 m . . . . . 3 N--CA 1.207 -12.609 0 CA-C-O 123.235 1.493 . . . . 4.3600000000000003 112.517 . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 1.389 ' HG ' ' CB ' ' A' ' 2' ' ' SER . 0.1 OUTLIER -75.01 -6.97 52.25 Favored 'General case' 4 C--O 1.032 -10.356 0 CA-C-N 113.17 -1.832 . . . . 3.8500000000000001 109.577 179.927 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 1.43 ' HG ' ' CB ' ' A' ' 3' ' ' SER . 0.1 OUTLIER -85.29 -14.32 46.98 Favored 'General case' 3 C--O 1.059 -8.923 0 CA-C-O 122.827 1.299 . . . . 2.73 109.976 -179.941 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 1.399 ' CD1' ' CB ' ' A' ' 4' ' ' ILE . 0.8 OUTLIER -83.96 -52.12 13.22 Favored 'Isoleucine or valine' 2 C--N 1.149 -8.109 0 O-C-N 118.575 -2.578 . . . . 3.48 110.445 -179.963 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 1.34 HG21 ' CB ' ' A' ' 5' ' ' VAL . 55.7 t -49.08 -46.68 17.47 Favored 'Isoleucine or valine' 2 C--O 1.116 -5.96 0 CA-C-N 114.578 -1.192 . . . . 2.6600000000000001 108.864 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -49.79 -57.97 6.28 Favored 'General case' 3 N--CA 1.335 -6.181 0 O-C-N 124.629 1.206 . . . . 3.1400000000000001 110.197 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 1.55 HD22 ' CG ' ' A' ' 7' ' ' LEU . 2.2 mt -60.5 -32.88 71.87 Favored 'General case' 2 C--O 0.9 -17.313 0 CA-C-O 127.204 3.383 . . . . 2.73 108.729 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 1.271 ' HG ' ' CB ' ' A' ' 8' ' ' CYS . 2.0 t -64.8 -59.91 3.69 Favored 'General case' 1 C--N 1.016 -13.925 2 O-C-N 105.867 -10.521 . . . . 2.1800000000000002 109.759 -179.998 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 1.057 ' HB3' ' CA ' ' A' ' 9' ' ' ALA . . . -47.02 -56.73 5.95 Favored 'General case' 0 C--N 1.281 -2.396 0 CA-C-N 114.803 -1.09 . . . . 1.5900000000000001 108.607 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 1.345 HD11 ' CG1' ' A' ' 10' ' ' ILE . 50.6 mt -46.35 -53.05 2.91 Favored 'Isoleucine or valine' 0 N--CA 1.393 -3.321 0 O-C-N 124.684 1.24 . . . . 2.0099999999999998 110.326 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 1.452 ' HG ' ' CB ' ' A' ' 11' ' ' SER . 0.3 OUTLIER -78.48 13.76 1.48 Allowed 'General case' 1 C--O 0.924 -16.041 0 CA-C-O 124.52 2.105 . . . . 2.1600000000000001 111.825 -179.95 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 1.617 HD13 ' CG ' ' A' ' 12' ' ' LEU . 1.4 tp -99.5 -55.08 2.77 Favored 'General case' 2 C--N 1.073 -11.429 2 O-C-N 108.889 -8.632 . . . . 2.7000000000000002 110.951 179.99 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 1.23 HD12 ' CG1' ' A' ' 13' ' ' ILE . 3.4 mt -55.5 -61.24 1.15 Allowed 'Isoleucine or valine' 1 C--N 1.206 -5.664 0 O-C-N 120.437 -1.414 . . . . 2.0 109.666 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 1.631 ' CZ ' ' CD ' ' A' ' 14' ' ' ARG . 5.0 ttt180 -49.03 -29.47 4.99 Favored 'General case' 0 N--CA 1.395 -3.194 0 CA-C-N 114.008 -1.451 . . . . 4.4699999999999998 110.465 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 1.559 ' CZ ' ' CD1' ' A' ' 15' ' ' TYR . 9.7 m-30 -103.09 29.84 5.23 Favored 'General case' 1 C--O 1.126 -5.396 0 CA-C-N 114.746 -1.115 . . . . 3.4900000000000002 113.462 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 1.123 ' C ' ' CA ' ' A' ' 17' ' ' SER . 0.0 OUTLIER -90.62 -89.23 0.17 Allowed 'General case' 2 C--O 0.672 -29.32 1 CA-C-O 136.604 7.859 . . . . 2.4500000000000002 106.791 179.979 . . . . . . . . 5 4 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 1.123 ' CA ' ' C ' ' A' ' 16' ' ' TRP . 1.9 t -28.65 53.75 0.0 OUTLIER 'General case' 1 C--N 0.855 -20.918 3 O-C-N 81.208 -25.933 . . . . 1.8999999999999999 110.462 -179.968 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 1.506 ' CD1' ' CB ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -152.26 -45.09 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.251 -3.697 0 CA-C-O 121.275 0.559 . . . . 2.4399999999999999 109.607 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 1.631 HG21 ' CB ' ' A' ' 19' ' ' THR . 0.8 OUTLIER -51.91 -44.06 63.67 Favored 'General case' 0 N--CA 1.409 -2.506 0 CA-C-N 113.775 -1.557 . . . . 2.2200000000000002 111.627 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 1.58 HE21 ' CG ' ' A' ' 20' ' ' GLN . 2.0 mt-30 -46.38 -33.66 4.04 Favored 'General case' 1 C--N 1.235 -4.377 0 CA-C-N 113.202 -1.817 . . . . 4.0 111.891 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 1.205 ' HB3' ' CA ' ' A' ' 21' ' ' ALA . . . -108.49 46.61 0.95 Allowed 'General case' 3 C--O 0.8 -22.59 0 CA-C-O 124.864 2.268 . . . . 2.0099999999999998 110.126 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 1.294 HG22 ' CB ' ' A' ' 22' ' ' ILE . 1.3 mt -111.85 -57.85 3.82 Favored 'Isoleucine or valine' 4 C--N 0.984 -15.293 3 O-C-N 104.045 -11.659 . . . . 2.2000000000000002 107.091 179.968 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 1.537 ' CG ' ' CA ' ' A' ' 23' ' ' GLU . 2.8 tt0 -82.2 -52.7 6.71 Favored 'General case' 4 C--O 1.055 -9.143 0 N-CA-C 115.275 1.583 . . . . 4.0199999999999996 115.275 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 1.624 ' CZ ' ' CD1' ' A' ' 24' ' ' TYR 0.266 0.3 OUTLIER -47.23 -44.14 22.43 Favored 'General case' 4 CA--C 1.292 -8.945 0 O-C-N 119.936 -1.727 . . . . 3.5699999999999998 108.3 -179.973 . . . . . . . . 5 4 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.648 ' C ' ' N ' ' A' ' 27' ' ' LYS . 1.8 t-20 -62.98 -45.75 90.97 Favored 'General case' 4 C--O 0.921 -16.204 0 O-C-N 128.998 3.937 . . . . 3.48 110.798 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 1.641 ' HG ' ' CB ' ' A' ' 26' ' ' LEU 0.409 0.4 OUTLIER -59.32 -18.39 37.59 Favored 'General case' 4 C--O 0.627 -31.694 0 CA-C-O 125.429 2.538 . . . . 4.5999999999999996 106.967 -179.998 . . . . . . . . 5 4 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 1.568 ' HZ2' ' CD ' ' A' ' 27' ' ' LYS 0.611 25.3 tttt -145.09 104.87 4.01 Favored 'General case' 4 C--O 0.529 -36.862 5 O-C-N 99.999 -14.188 . . . . 7.6299999999999999 124.637 -179.952 . . . . . . . . 5 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 1.626 ' HD3' ' CB ' ' A' ' 28' ' ' ARG 0.673 8.0 ttt-85 -119.43 138.3 53.2 Favored 'General case' 4 C--N 0.645 -30.057 4 O-C-N 73.11 -30.994 . . . . 7.1600000000000001 118.994 179.944 . . . . . . . . 5 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 1.571 ' HA ' ' CD ' ' A' ' 30' ' ' PRO 0.818 2.0 t -166.79 116.44 0.73 Allowed Pre-proline 4 C--O 0.436 -41.762 2 CA-C-O 146.776 12.703 . . . . 7.4699999999999998 128.055 179.896 . . . . . . . . 5 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 1.571 ' CD ' ' HA ' ' A' ' 29' ' ' THR 1.15 9.5 Cg_endo -67.54 132.46 27.23 Favored 'Trans proline' 4 C--N 0.479 -45.234 4 O-C-N 68.843 -27.503 . . . . 8.0299999999999994 140.27 179.975 . . . . . . . . 5 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 1.628 ' HD3' ' CA ' ' A' ' 31' ' ' ARG 1.228 36.5 ttt-85 -111.53 126.36 54.9 Favored 'General case' 4 C--O 0.363 -45.58 5 O-C-N 98.512 -15.118 . . . . 12.130000000000001 140.104 179.907 . . . . . . . . 5 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 1.587 ' H ' ' CG ' ' A' ' 31' ' ' ARG 1.521 0.0 OUTLIER . . . . . 4 C--O 0.086 -60.145 4 CA-C-O 165.656 21.693 . . . . 12.77 148.107 -179.778 . . . . . . . . 5 3 . 1 . 001 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.4 ' C ' ' N ' ' A' ' 3' ' ' SER 0.328 23.2 m . . . . . 3 N--CA 1.207 -12.609 0 CA-C-O 123.235 1.493 . . . . 4.16 112.517 . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . 1.116 ' OG ' ' CA ' ' A' ' 2' ' ' SER . 0.1 OUTLIER -75.01 -6.97 52.25 Favored 'General case' 4 C--O 1.032 -10.356 0 CA-C-N 113.17 -1.832 . . . . 3.51 109.577 179.927 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.4 ' N ' ' C ' ' A' ' 1' ' ' THR . 0.1 OUTLIER -85.29 -14.32 46.98 Favored 'General case' 3 C--O 1.059 -8.923 0 CA-C-O 122.827 1.299 . . . . 2.38 109.976 -179.941 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 1.399 ' CD1' ' CB ' ' A' ' 4' ' ' ILE . 0.8 OUTLIER -83.96 -52.12 13.22 Favored 'Isoleucine or valine' 2 C--N 1.149 -8.109 0 O-C-N 118.575 -2.578 . . . . 2.99 110.445 -179.963 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.407 ' C ' ' O ' ' A' ' 4' ' ' ILE . 55.7 t -49.08 -46.68 17.47 Favored 'Isoleucine or valine' 2 C--O 1.116 -5.96 0 CA-C-N 114.578 -1.192 . . . . 2.19 108.864 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -49.79 -57.97 6.28 Favored 'General case' 3 N--CA 1.335 -6.181 0 O-C-N 124.629 1.206 . . . . 2.67 110.197 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.447 ' H ' ' HG ' ' A' ' 7' ' ' LEU . 2.2 mt -60.5 -32.88 71.87 Favored 'General case' 2 C--O 0.9 -17.313 0 CA-C-O 127.204 3.383 . . . . 2.21 108.729 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.0 t -64.8 -59.91 3.69 Favored 'General case' 1 C--N 1.016 -13.925 2 O-C-N 105.867 -10.521 . . . . 1.52 109.759 -179.998 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -47.02 -56.73 5.95 Favored 'General case' 0 C--N 1.281 -2.396 0 CA-C-N 114.803 -1.09 . . . . 1.05 108.607 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 50.6 mt -46.35 -53.05 2.91 Favored 'Isoleucine or valine' 0 N--CA 1.393 -3.321 0 O-C-N 124.684 1.24 . . . . 1.58 110.326 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.48 13.76 1.48 Allowed 'General case' 1 C--O 0.924 -16.041 0 CA-C-O 124.52 2.105 . . . . 1.73 111.825 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 1.39 ' CD2' ' CB ' ' A' ' 12' ' ' LEU . 1.4 tp -99.5 -55.08 2.77 Favored 'General case' 2 C--N 1.073 -11.429 2 O-C-N 108.889 -8.632 . . . . 2.21 110.951 179.99 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.603 ' O ' ' HB3' ' A' ' 16' ' ' TRP . 3.4 mt -55.5 -61.24 1.15 Allowed 'Isoleucine or valine' 1 C--N 1.206 -5.664 0 O-C-N 120.437 -1.414 . . . . 1.63 109.666 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 1.631 ' CZ ' ' CD ' ' A' ' 14' ' ' ARG . 5.0 ttt180 -49.03 -29.47 4.99 Favored 'General case' 0 N--CA 1.395 -3.194 0 CA-C-N 114.008 -1.451 . . . . 4.01 110.465 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 1.559 ' CZ ' ' CD1' ' A' ' 15' ' ' TYR . 9.7 m-30 -103.09 29.84 5.23 Favored 'General case' 1 C--O 1.126 -5.396 0 CA-C-N 114.746 -1.115 . . . . 3.29 113.462 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 1.123 ' C ' ' CA ' ' A' ' 17' ' ' SER . 0.0 OUTLIER -90.62 -89.23 0.17 Allowed 'General case' 2 C--O 0.672 -29.32 1 CA-C-O 136.604 7.859 . . . . 2.08 106.791 179.979 . . . . . . . . 5 4 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . 1.123 ' CA ' ' C ' ' A' ' 16' ' ' TRP . 1.9 t -28.65 53.75 0.0 OUTLIER 'General case' 1 C--N 0.855 -20.918 3 O-C-N 81.208 -25.933 . . . . 1.61 110.462 -179.968 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 1.506 ' CD1' ' CB ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -152.26 -45.09 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.251 -3.697 0 CA-C-O 121.275 0.559 . . . . 2.01 109.607 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.719 ' HA ' HD12 ' A' ' 22' ' ' ILE . 0.8 OUTLIER -51.91 -44.06 63.67 Favored 'General case' 0 N--CA 1.409 -2.506 0 CA-C-N 113.775 -1.557 . . . . 1.88 111.627 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 1.462 ' CD ' ' CB ' ' A' ' 20' ' ' GLN . 2.0 mt-30 -46.38 -33.66 4.04 Favored 'General case' 1 C--N 1.235 -4.377 0 CA-C-N 113.202 -1.817 . . . . 3.3 111.891 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -108.49 46.61 0.95 Allowed 'General case' 3 C--O 0.8 -22.59 0 CA-C-O 124.864 2.268 . . . . 1.8 110.126 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.719 HD12 ' HA ' ' A' ' 19' ' ' THR . 1.3 mt -111.85 -57.85 3.82 Favored 'Isoleucine or valine' 4 C--N 0.984 -15.293 3 O-C-N 104.045 -11.659 . . . . 1.83 107.091 179.968 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 1.537 ' CG ' ' CA ' ' A' ' 23' ' ' GLU . 2.8 tt0 -82.2 -52.7 6.71 Favored 'General case' 4 C--O 1.055 -9.143 0 N-CA-C 115.275 1.583 . . . . 4.02 115.275 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 1.624 ' CZ ' ' CD1' ' A' ' 24' ' ' TYR 0.266 0.3 OUTLIER -47.23 -44.14 22.43 Favored 'General case' 4 CA--C 1.292 -8.945 0 O-C-N 119.936 -1.727 . . . . 3.39 108.3 -179.973 . . . . . . . . 5 4 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.648 ' C ' ' N ' ' A' ' 27' ' ' LYS . 1.8 t-20 -62.98 -45.75 90.97 Favored 'General case' 4 C--O 0.921 -16.204 0 O-C-N 128.998 3.937 . . . . 3.48 110.798 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 1.443 ' O ' ' CA ' ' A' ' 26' ' ' LEU 0.409 0.4 OUTLIER -59.32 -18.39 37.59 Favored 'General case' 4 C--O 0.627 -31.694 0 CA-C-O 125.429 2.538 . . . . 4.52 106.967 -179.998 . . . . . . . . 5 4 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 1.436 ' CA ' ' C ' ' A' ' 26' ' ' LEU 0.611 25.3 tttt -145.09 104.87 4.01 Favored 'General case' 4 C--O 0.529 -36.862 5 O-C-N 99.999 -14.188 . . . . 7.25 124.637 -179.952 . . . . . . . . 5 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.91 ' CB ' ' HG3' ' A' ' 28' ' ' ARG 0.673 8.0 ttt-85 -119.43 138.3 53.2 Favored 'General case' 4 C--N 0.645 -30.057 4 O-C-N 73.11 -30.994 . . . . 6.71 118.994 179.944 . . . . . . . . 5 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.455 ' HA ' ' HG2' ' A' ' 28' ' ' ARG 0.818 2.0 t -166.79 116.44 0.73 Allowed Pre-proline 4 C--O 0.436 -41.762 2 CA-C-O 146.776 12.703 . . . . 7.03 128.055 179.896 . . . . . . . . 5 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.764 ' HD3' ' HG2' ' A' ' 28' ' ' ARG 1.15 9.5 Cg_endo -67.54 132.46 27.23 Favored 'Trans proline' 4 C--N 0.479 -45.234 4 O-C-N 68.843 -27.503 . . . . 7.95 140.27 179.975 . . . . . . . . 5 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . 1.228 36.5 ttt-85 -111.53 126.36 54.9 Favored 'General case' 4 C--O 0.363 -45.58 5 O-C-N 98.512 -15.118 . . . . 11.59 140.104 179.907 . . . . . . . . 4 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.494 ' HB2' ' HD3' ' A' ' 32' ' ' ARG 1.521 0.0 OUTLIER . . . . . 4 C--O 0.086 -60.145 4 CA-C-O 165.656 21.693 . . . . 12.37 148.107 -179.778 . . . . . . . . 5 3 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.4 ' C ' ' N ' ' A' ' 3' ' ' SER 0.328 23.2 m . . . . . 3 N--CA 1.207 -12.609 0 CA-C-O 123.235 1.493 . . . . 4.1600000000000001 112.517 . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 1.116 ' OG ' ' CA ' ' A' ' 2' ' ' SER . 0.1 OUTLIER -75.01 -6.97 52.25 Favored 'General case' 4 C--O 1.032 -10.356 0 CA-C-N 113.17 -1.832 . . . . 3.5099999999999998 109.577 179.927 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.4 ' N ' ' C ' ' A' ' 1' ' ' THR . 0.1 OUTLIER -85.29 -14.32 46.98 Favored 'General case' 3 C--O 1.059 -8.923 0 CA-C-O 122.827 1.299 . . . . 2.3799999999999999 109.976 -179.941 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 1.399 ' CD1' ' CB ' ' A' ' 4' ' ' ILE . 0.8 OUTLIER -83.96 -52.12 13.22 Favored 'Isoleucine or valine' 2 C--N 1.149 -8.109 0 O-C-N 118.575 -2.578 . . . . 2.9900000000000002 110.445 -179.963 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.407 ' C ' ' O ' ' A' ' 4' ' ' ILE . 55.7 t -49.08 -46.68 17.47 Favored 'Isoleucine or valine' 2 C--O 1.116 -5.96 0 CA-C-N 114.578 -1.192 . . . . 2.1899999999999999 108.864 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -49.79 -57.97 6.28 Favored 'General case' 3 N--CA 1.335 -6.181 0 O-C-N 124.629 1.206 . . . . 2.6699999999999999 110.197 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.447 ' H ' ' HG ' ' A' ' 7' ' ' LEU . 2.2 mt -60.5 -32.88 71.87 Favored 'General case' 2 C--O 0.9 -17.313 0 CA-C-O 127.204 3.383 . . . . 2.21 108.729 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.0 t -64.8 -59.91 3.69 Favored 'General case' 1 C--N 1.016 -13.925 2 O-C-N 105.867 -10.521 . . . . 1.52 109.759 -179.998 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -47.02 -56.73 5.95 Favored 'General case' 0 C--N 1.281 -2.396 0 CA-C-N 114.803 -1.09 . . . . 1.05 108.607 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 50.6 mt -46.35 -53.05 2.91 Favored 'Isoleucine or valine' 0 N--CA 1.393 -3.321 0 O-C-N 124.684 1.24 . . . . 1.5800000000000001 110.326 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.48 13.76 1.48 Allowed 'General case' 1 C--O 0.924 -16.041 0 CA-C-O 124.52 2.105 . . . . 1.73 111.825 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 1.39 ' CD2' ' CB ' ' A' ' 12' ' ' LEU . 1.4 tp -99.5 -55.08 2.77 Favored 'General case' 2 C--N 1.073 -11.429 2 O-C-N 108.889 -8.632 . . . . 2.21 110.951 179.99 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.603 ' O ' ' HB3' ' A' ' 16' ' ' TRP . 3.4 mt -55.5 -61.24 1.15 Allowed 'Isoleucine or valine' 1 C--N 1.206 -5.664 0 O-C-N 120.437 -1.414 . . . . 1.6299999999999999 109.666 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 1.631 ' CZ ' ' CD ' ' A' ' 14' ' ' ARG . 5.0 ttt180 -49.03 -29.47 4.99 Favored 'General case' 0 N--CA 1.395 -3.194 0 CA-C-N 114.008 -1.451 . . . . 4.0099999999999998 110.465 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 1.559 ' CZ ' ' CD1' ' A' ' 15' ' ' TYR . 9.7 m-30 -103.09 29.84 5.23 Favored 'General case' 1 C--O 1.126 -5.396 0 CA-C-N 114.746 -1.115 . . . . 3.29 113.462 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 1.123 ' C ' ' CA ' ' A' ' 17' ' ' SER . 0.0 OUTLIER -90.62 -89.23 0.17 Allowed 'General case' 2 C--O 0.672 -29.32 1 CA-C-O 136.604 7.859 . . . . 2.0800000000000001 106.791 179.979 . . . . . . . . 5 4 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 1.123 ' CA ' ' C ' ' A' ' 16' ' ' TRP . 1.9 t -28.65 53.75 0.0 OUTLIER 'General case' 1 C--N 0.855 -20.918 3 O-C-N 81.208 -25.933 . . . . 1.6100000000000001 110.462 -179.968 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 1.506 ' CD1' ' CB ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -152.26 -45.09 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.251 -3.697 0 CA-C-O 121.275 0.559 . . . . 2.0099999999999998 109.607 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.719 ' HA ' HD12 ' A' ' 22' ' ' ILE . 0.8 OUTLIER -51.91 -44.06 63.67 Favored 'General case' 0 N--CA 1.409 -2.506 0 CA-C-N 113.775 -1.557 . . . . 1.8799999999999999 111.627 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 1.462 ' CD ' ' CB ' ' A' ' 20' ' ' GLN . 2.0 mt-30 -46.38 -33.66 4.04 Favored 'General case' 1 C--N 1.235 -4.377 0 CA-C-N 113.202 -1.817 . . . . 3.2999999999999998 111.891 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -108.49 46.61 0.95 Allowed 'General case' 3 C--O 0.8 -22.59 0 CA-C-O 124.864 2.268 . . . . 1.8 110.126 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.719 HD12 ' HA ' ' A' ' 19' ' ' THR . 1.3 mt -111.85 -57.85 3.82 Favored 'Isoleucine or valine' 4 C--N 0.984 -15.293 3 O-C-N 104.045 -11.659 . . . . 1.8300000000000001 107.091 179.968 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 1.537 ' CG ' ' CA ' ' A' ' 23' ' ' GLU . 2.8 tt0 -82.2 -52.7 6.71 Favored 'General case' 4 C--O 1.055 -9.143 0 N-CA-C 115.275 1.583 . . . . 4.0199999999999996 115.275 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 1.624 ' CZ ' ' CD1' ' A' ' 24' ' ' TYR 0.266 0.3 OUTLIER -47.23 -44.14 22.43 Favored 'General case' 4 CA--C 1.292 -8.945 0 O-C-N 119.936 -1.727 . . . . 3.3900000000000001 108.3 -179.973 . . . . . . . . 5 4 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.648 ' C ' ' N ' ' A' ' 27' ' ' LYS . 1.8 t-20 -62.98 -45.75 90.97 Favored 'General case' 4 C--O 0.921 -16.204 0 O-C-N 128.998 3.937 . . . . 3.48 110.798 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 1.443 ' O ' ' CA ' ' A' ' 26' ' ' LEU 0.409 0.4 OUTLIER -59.32 -18.39 37.59 Favored 'General case' 4 C--O 0.627 -31.694 0 CA-C-O 125.429 2.538 . . . . 4.5199999999999996 106.967 -179.998 . . . . . . . . 5 4 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 1.436 ' CA ' ' C ' ' A' ' 26' ' ' LEU 0.611 25.3 tttt -145.09 104.87 4.01 Favored 'General case' 4 C--O 0.529 -36.862 5 O-C-N 99.999 -14.188 . . . . 7.25 124.637 -179.952 . . . . . . . . 5 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.91 ' CB ' ' HG3' ' A' ' 28' ' ' ARG 0.673 8.0 ttt-85 -119.43 138.3 53.2 Favored 'General case' 4 C--N 0.645 -30.057 4 O-C-N 73.11 -30.994 . . . . 6.71 118.994 179.944 . . . . . . . . 5 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.455 ' HA ' ' HG2' ' A' ' 28' ' ' ARG 0.818 2.0 t -166.79 116.44 0.73 Allowed Pre-proline 4 C--O 0.436 -41.762 2 CA-C-O 146.776 12.703 . . . . 7.0300000000000002 128.055 179.896 . . . . . . . . 5 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.764 ' HD3' ' HG2' ' A' ' 28' ' ' ARG 1.15 9.5 Cg_endo -67.54 132.46 27.23 Favored 'Trans proline' 4 C--N 0.479 -45.234 4 O-C-N 68.843 -27.503 . . . . 7.9500000000000002 140.27 179.975 . . . . . . . . 5 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . 1.228 36.5 ttt-85 -111.53 126.36 54.9 Favored 'General case' 4 C--O 0.363 -45.58 5 O-C-N 98.512 -15.118 . . . . 11.59 140.104 179.907 . . . . . . . . 4 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.494 ' HB2' ' HD3' ' A' ' 32' ' ' ARG 1.521 0.0 OUTLIER . . . . . 4 C--O 0.086 -60.145 4 CA-C-O 165.656 21.693 . . . . 12.369999999999999 148.107 -179.778 . . . . . . . . 5 3 . 1 stop_ save_