data_1dfe_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 1dfe _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' ' ' MET . . . . . . . . . . . . . 36.4 ttp . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 120.994 0.426 . . . . 8.94 110.156 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.4 ttpt -147.03 135.52 21.89 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.545 -0.722 . . . . 10.9 109.954 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.2 t -141.28 159.22 22.56 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 121.707 -0.621 . . . . 5.07 109.934 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 21.9 ttp180 -76.13 56.07 0.99 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.348 -0.845 . . . . 7.72 109.813 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -131.29 133.31 45.27 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.514 -0.741 . . . . 3.04 110.249 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.5 m -121.09 66.78 0.86 Allowed 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 108.808 -0.812 . . . . 3.24 108.808 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.529 ' HB ' ' CG2' ' A' ' 25' ' ' VAL . 33.2 m -47.27 113.72 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 CA-C-O 121.894 0.854 . . . . 2.38 111.134 -178.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.1 pttt -117.13 151.95 35.76 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 109.078 -0.712 . . . . 2.85 109.078 179.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.44 148.43 28.12 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.136 -0.977 . . . . 3.16 109.434 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 62.7 mt -109.32 -60.6 2.81 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.531 0 O-C-N 121.55 -0.719 . . . . 1.34 110.149 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.595 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 3.1 p -109.03 -167.6 1.23 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.394 -0.816 . . . . 0.8 110.274 179.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -83.27 22.57 0.99 Allowed 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.552 -0.718 . . . . 2.22 111.664 -178.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.595 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 4.1 mptt -127.74 -14.22 5.16 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.019 -1.051 . . . . 3.12 111.749 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.523 ' HA ' ' HB2' ' A' ' 27' ' ' CYS . 0.0 OUTLIER -80.89 147.98 30.11 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.662 -1.274 . . . . 1.3 110.641 -179.886 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -133.74 128.28 34.57 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 109.431 -0.581 . . . . 3.11 109.431 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.427 ' HA ' ' O ' ' A' ' 24' ' ' TYR . 4.0 t -83.73 115.75 26.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.537 -0.727 . . . . 1.17 109.63 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.407 ' N ' HD12 ' A' ' 17' ' ' ILE . 2.3 mm -90.77 161.57 2.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 O-C-N 121.487 -0.758 . . . . 1.75 110.224 -179.319 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.0 mmm180 -128.61 120.69 27.1 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.595 -0.691 . . . . 3.52 109.634 179.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.54 ' O ' ' N ' ' A' ' 21' ' ' GLY . 2.2 tpt180 -130.5 -157.07 0.8 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.447 -0.783 . . . . 3.43 110.252 -179.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.456 ' C ' ' H ' ' A' ' 22' ' ' ARG . 89.5 m-70 -47.66 83.15 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.905 -0.497 . . . . 3.34 111.119 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.54 ' N ' ' O ' ' A' ' 19' ' ' ARG . . . 54.48 10.84 2.26 Favored Glycine 0 N--CA 1.493 2.44 0 N-CA-C 109.268 -1.533 . . . . 1.33 109.268 -179.511 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.456 ' H ' ' C ' ' A' ' 20' ' ' HIS . 27.1 mtt180 -115.16 161.67 18.1 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.56 -0.964 . . . . 3.28 110.424 -179.49 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.425 ' CG1' HG12 ' A' ' 16' ' ' VAL . 12.1 t -135.99 148.05 27.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.561 -0.712 . . . . 1.14 109.467 179.498 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.429 ' HA ' ' HA ' ' A' ' 35' ' ' ARG . 7.5 m-85 -128.08 160.02 33.28 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.691 -0.63 . . . . 2.34 110.309 179.167 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.529 ' CG2' ' HB ' ' A' ' 7' ' ' VAL . 42.7 t -128.23 93.45 2.16 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.683 0 N-CA-C 107.957 -1.127 . . . . 1.11 107.957 178.182 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.7 pt -100.46 139.68 21.29 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.677 0 C-N-CA 119.563 -0.855 . . . . 1.4 109.592 -178.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.523 ' HB2' ' HA ' ' A' ' 14' ' ' CYS . 41.4 t -151.75 158.59 43.55 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.322 -0.862 . . . . 1.0 111.11 -178.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -58.79 -39.91 82.45 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 107.179 -1.415 . . . . 1.97 107.179 177.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -74.19 124.98 90.4 Favored Pre-proline 0 N--CA 1.485 1.276 0 N-CA-C 108.932 -0.766 . . . . 1.0 108.932 178.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.411 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 40.9 Cg_endo -67.14 -25.15 43.76 Favored 'Trans proline' 0 C--N 1.308 -1.577 0 O-C-N 123.57 1.3 . . . . 0.82 110.72 -179.356 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -67.91 -14.24 62.8 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.947 -1.095 . . . . 2.68 110.759 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.494 ' CD2' ' N ' ' A' ' 32' ' ' HIS . 22.2 m170 -104.32 13.82 31.39 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.056 -1.028 . . . . 0.48 111.123 -179.188 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.473 ' CD ' ' O ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -80.98 85.7 6.21 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.784 -1.198 . . . . 2.48 109.998 179.443 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -117.82 179.26 4.13 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.922 -1.111 . . . . 1.64 110.041 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.429 ' HA ' ' HA ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -161.39 122.35 2.78 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.496 -0.752 . . . . 3.88 109.808 179.287 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -60.65 143.82 53.26 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.305 -0.872 . . . . 2.25 110.467 -179.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.441 0 N-CA-C 109.851 -1.3 . . . . 2.62 109.851 179.877 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.4 ttp . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 120.994 0.426 . . . . 8.52 110.156 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.4 ttpt -147.03 135.52 21.89 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.545 -0.722 . . . . 10.57 109.954 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.2 t -141.28 159.22 22.56 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 121.707 -0.621 . . . . 5.01 109.934 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 21.9 ttp180 -76.13 56.07 0.99 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.348 -0.845 . . . . 7.15 109.813 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -131.29 133.31 45.27 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.514 -0.741 . . . . 2.59 110.249 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.5 m -121.09 66.78 0.86 Allowed 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 108.808 -0.812 . . . . 2.87 108.808 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.787 ' HB ' HG21 ' A' ' 25' ' ' VAL . 33.2 m -47.27 113.72 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 CA-C-O 121.894 0.854 . . . . 1.77 111.134 -178.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.1 pttt -117.13 151.95 35.76 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 109.078 -0.712 . . . . 2.45 109.078 179.211 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.44 148.43 28.12 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.136 -0.977 . . . . 2.71 109.434 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 62.7 mt -109.32 -60.6 2.81 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.531 0 O-C-N 121.55 -0.719 . . . . 0.75 110.149 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.6 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 3.1 p -109.03 -167.6 1.23 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.394 -0.816 . . . . 0.8 110.274 179.653 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -83.27 22.57 0.99 Allowed 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.552 -0.718 . . . . 2.22 111.664 -178.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.6 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 4.1 mptt -127.74 -14.22 5.16 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.019 -1.051 . . . . 2.71 111.749 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.509 ' HA ' ' HB2' ' A' ' 27' ' ' CYS . 0.0 OUTLIER -80.89 147.98 30.11 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.662 -1.274 . . . . 0.65 110.641 -179.886 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -133.74 128.28 34.57 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 109.431 -0.581 . . . . 2.71 109.431 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.478 ' HA ' ' O ' ' A' ' 24' ' ' TYR . 4.0 t -83.73 115.75 26.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.537 -0.727 . . . . 0.51 109.63 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.566 ' O ' HG13 ' A' ' 23' ' ' VAL . 2.3 mm -90.77 161.57 2.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 O-C-N 121.487 -0.758 . . . . 1.15 110.224 -179.319 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.0 mmm180 -128.61 120.69 27.1 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.595 -0.691 . . . . 3.02 109.634 179.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.54 ' O ' ' N ' ' A' ' 21' ' ' GLY . 2.2 tpt180 -130.5 -157.07 0.8 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.447 -0.783 . . . . 2.94 110.252 -179.752 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.421 ' C ' ' N ' ' A' ' 22' ' ' ARG . 89.5 m-70 -47.66 83.15 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.905 -0.497 . . . . 2.88 111.119 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.54 ' N ' ' O ' ' A' ' 19' ' ' ARG . . . 54.48 10.84 2.26 Favored Glycine 0 N--CA 1.493 2.44 0 N-CA-C 109.268 -1.533 . . . . 0.79 109.268 -179.511 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.421 ' N ' ' C ' ' A' ' 20' ' ' HIS . 27.1 mtt180 -115.16 161.67 18.1 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.56 -0.964 . . . . 2.81 110.424 -179.49 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.566 HG13 ' O ' ' A' ' 17' ' ' ILE . 12.1 t -135.99 148.05 27.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.561 -0.712 . . . . 0.46 109.467 179.498 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.478 ' O ' ' HA ' ' A' ' 16' ' ' VAL . 7.5 m-85 -128.08 160.02 33.28 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.691 -0.63 . . . . 1.47 110.309 179.167 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.787 HG21 ' HB ' ' A' ' 7' ' ' VAL . 42.7 t -128.23 93.45 2.16 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.683 0 N-CA-C 107.957 -1.127 . . . . 0.39 107.957 178.182 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.7 pt -100.46 139.68 21.29 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.677 0 C-N-CA 119.563 -0.855 . . . . 0.76 109.592 -178.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.535 ' HB3' ' HB2' ' A' ' 32' ' ' HIS . 41.4 t -151.75 158.59 43.55 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.322 -0.862 . . . . 0.55 111.11 -178.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -58.79 -39.91 82.45 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 107.179 -1.415 . . . . 1.97 107.179 177.116 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -74.19 124.98 90.4 Favored Pre-proline 0 N--CA 1.485 1.276 0 N-CA-C 108.932 -0.766 . . . . 0.75 108.932 178.195 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.427 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 40.9 Cg_endo -67.14 -25.15 43.76 Favored 'Trans proline' 0 C--N 1.308 -1.577 0 O-C-N 123.57 1.3 . . . . 0.67 110.72 -179.356 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -67.91 -14.24 62.8 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.947 -1.095 . . . . 2.2 110.759 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.608 ' O ' HG12 ' A' ' 25' ' ' VAL . 22.2 m170 -104.32 13.82 31.39 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.056 -1.028 . . . . 0.4 111.123 -179.188 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.473 ' O ' ' CD ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -80.98 85.7 6.21 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.784 -1.198 . . . . 2.01 109.998 179.443 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -117.82 179.26 4.13 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.922 -1.111 . . . . 1.3 110.041 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.474 ' HA ' ' HA ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -161.39 122.35 2.78 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.496 -0.752 . . . . 3.18 109.808 179.287 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -60.65 143.82 53.26 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.305 -0.872 . . . . 2.18 110.467 -179.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.441 0 N-CA-C 109.851 -1.3 . . . . 2.62 109.851 179.877 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.4 ttp . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 120.994 0.426 . . . . 8.52 110.156 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.4 ttpt -147.03 135.52 21.89 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.545 -0.722 . . . . 10.57 109.954 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.2 t -141.28 159.22 22.56 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 121.707 -0.621 . . . . 5.01 109.934 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 21.9 ttp180 -76.13 56.07 0.99 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.348 -0.845 . . . . 7.15 109.813 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -131.29 133.31 45.27 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.514 -0.741 . . . . 2.59 110.249 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.5 m -121.09 66.78 0.86 Allowed 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 108.808 -0.812 . . . . 2.87 108.808 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.787 ' HB ' HG21 ' A' ' 25' ' ' VAL . 33.2 m -47.27 113.72 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 CA-C-O 121.894 0.854 . . . . 1.77 111.134 -178.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.1 pttt -117.13 151.95 35.76 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 109.078 -0.712 . . . . 2.45 109.078 179.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.44 148.43 28.12 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.136 -0.977 . . . . 2.71 109.434 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 62.7 mt -109.32 -60.6 2.81 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.531 0 O-C-N 121.55 -0.719 . . . . 0.75 110.149 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.6 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 3.1 p -109.03 -167.6 1.23 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.394 -0.816 . . . . 0.8 110.274 179.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -83.27 22.57 0.99 Allowed 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.552 -0.718 . . . . 2.22 111.664 -178.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.6 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 4.1 mptt -127.74 -14.22 5.16 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.019 -1.051 . . . . 2.71 111.749 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.509 ' HA ' ' HB2' ' A' ' 27' ' ' CYS . 0.0 OUTLIER -80.89 147.98 30.11 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.662 -1.274 . . . . 0.65 110.641 -179.886 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -133.74 128.28 34.57 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 109.431 -0.581 . . . . 2.71 109.431 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.478 ' HA ' ' O ' ' A' ' 24' ' ' TYR . 4.0 t -83.73 115.75 26.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.537 -0.727 . . . . 0.51 109.63 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.566 ' O ' HG13 ' A' ' 23' ' ' VAL . 2.3 mm -90.77 161.57 2.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 O-C-N 121.487 -0.758 . . . . 1.15 110.224 -179.319 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.0 mmm180 -128.61 120.69 27.1 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.595 -0.691 . . . . 3.02 109.634 179.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.54 ' O ' ' N ' ' A' ' 21' ' ' GLY . 2.2 tpt180 -130.5 -157.07 0.8 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.447 -0.783 . . . . 2.94 110.252 -179.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.421 ' C ' ' N ' ' A' ' 22' ' ' ARG . 89.5 m-70 -47.66 83.15 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.905 -0.497 . . . . 2.88 111.119 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.54 ' N ' ' O ' ' A' ' 19' ' ' ARG . . . 54.48 10.84 2.26 Favored Glycine 0 N--CA 1.493 2.44 0 N-CA-C 109.268 -1.533 . . . . 0.79 109.268 -179.511 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.421 ' N ' ' C ' ' A' ' 20' ' ' HIS . 27.1 mtt180 -115.16 161.67 18.1 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.56 -0.964 . . . . 2.81 110.424 -179.49 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.566 HG13 ' O ' ' A' ' 17' ' ' ILE . 12.1 t -135.99 148.05 27.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.561 -0.712 . . . . 0.46 109.467 179.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.478 ' O ' ' HA ' ' A' ' 16' ' ' VAL . 7.5 m-85 -128.08 160.02 33.28 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.691 -0.63 . . . . 1.47 110.309 179.167 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.787 HG21 ' HB ' ' A' ' 7' ' ' VAL . 42.7 t -128.23 93.45 2.16 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.683 0 N-CA-C 107.957 -1.127 . . . . 0.39 107.957 178.182 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.7 pt -100.46 139.68 21.29 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.677 0 C-N-CA 119.563 -0.855 . . . . 0.76 109.592 -178.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.535 ' HB3' ' HB2' ' A' ' 32' ' ' HIS . 41.4 t -151.75 158.59 43.55 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.322 -0.862 . . . . 0.55 111.11 -178.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -58.79 -39.91 82.45 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 107.179 -1.415 . . . . 1.97 107.179 177.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -74.19 124.98 90.4 Favored Pre-proline 0 N--CA 1.485 1.276 0 N-CA-C 108.932 -0.766 . . . . 0.75 108.932 178.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.427 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 40.9 Cg_endo -67.14 -25.15 43.76 Favored 'Trans proline' 0 C--N 1.308 -1.577 0 O-C-N 123.57 1.3 . . . . 0.67 110.72 -179.356 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -67.91 -14.24 62.8 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.947 -1.095 . . . . 2.2 110.759 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.608 ' O ' HG12 ' A' ' 25' ' ' VAL . 22.2 m170 -104.32 13.82 31.39 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.056 -1.028 . . . . 0.4 111.123 -179.188 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.473 ' O ' ' CD ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -80.98 85.7 6.21 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.784 -1.198 . . . . 2.01 109.998 179.443 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -117.82 179.26 4.13 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.922 -1.111 . . . . 1.3 110.041 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.474 ' HA ' ' HA ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -161.39 122.35 2.78 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.496 -0.752 . . . . 3.18 109.808 179.287 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -60.65 143.82 53.26 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.305 -0.872 . . . . 2.18 110.467 -179.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.441 0 N-CA-C 109.851 -1.3 . . . . 2.62 109.851 179.877 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_