data_1ei0_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 1ei0 _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' ' ' ASP . . . . . . . . . . . . . 1.1 p30 . . . . . 0 CA--C 1.546 0.823 0 CA-C-O 117.246 -1.359 . . . . 0.0 108.483 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_exo -50.47 -80.85 0.02 OUTLIER 'Trans proline' 0 C--N 1.353 0.799 0 C-N-CA 124.09 3.193 . . . . 0.0 113.404 175.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.9 m -147.08 25.88 1.11 Allowed 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 -165.275 -42.595 -73.326 -102.989 101.898 2.028 100.466 -99.218 -176.985 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -60.3 -33.97 73.12 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.428 -0.795 . . . . 0.0 111.327 -178.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.57 -51.45 69.45 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 118.519 0.6 . . . . 0.0 110.439 171.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 21.8 mp0 -58.78 -45.31 90.12 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-O 118.308 -0.853 . . . . 0.0 109.94 177.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.44 -46.55 86.29 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 119.022 0.828 . . . . 0.0 110.858 178.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.9 -46.42 89.44 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 123.724 0.81 . . . . 0.0 111.127 176.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -68.36 -30.09 68.96 Favored 'General case' 0 C--O 1.223 -0.338 0 C-N-CA 123.815 0.846 . . . . 0.0 112.088 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.7 mt -64.75 -48.97 82.35 Favored 'Isoleucine or valine' 0 C--O 1.232 0.151 0 C-N-CA 124.499 1.12 . . . . 0.0 108.507 171.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -55.02 -51.7 65.46 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 118.225 0.466 . . . . 0.0 110.066 173.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.2 tttp -56.27 -49.31 74.6 Favored 'General case' 0 C--N 1.341 0.226 0 C-N-CA 125.224 1.41 . . . . 0.0 110.495 -178.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.7 t -58.81 -51.85 68.22 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 124.27 1.028 . . . . 0.0 109.257 177.87 -177.511 -78.48 -90.066 103.176 2.032 103.085 -68.753 -59.287 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 mp -60.05 -46.94 87.86 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 118.618 0.645 . . . . 0.0 110.388 -178.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.02 -47.52 64.96 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 124.668 1.187 . . . . 0.0 110.762 176.357 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.45 -13.11 61.99 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 178.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -123.91 22.96 8.75 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 126.914 2.086 . . . . 0.0 110.346 -175.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.3 m 55.98 35.69 25.99 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.495 1.518 . . . . 0.0 113.102 174.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 65.94 16.98 10.69 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.615 1.966 . . . . 0.0 113.088 -177.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 77.3 mt -76.19 88.28 3.06 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 122.961 1.362 . . . . 0.0 108.54 171.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -46.44 -37.71 8.11 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 112.709 -2.041 . . . . 0.0 112.069 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.5 m -54.52 -28.77 47.6 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 125.625 1.57 . . . . 0.0 113.359 178.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.9 mttt -82.8 -11.02 58.59 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 119.137 0.881 . . . . 0.0 111.608 179.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 83.0 m -124.49 1.0 8.29 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 126.842 2.057 . . . . 0.0 111.09 -170.722 -59.287 -68.753 -90.066 103.085 2.032 103.176 -78.48 -177.511 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -57.56 -35.16 69.98 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 124.492 1.117 . . . . 0.0 111.843 174.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.83 -29.49 68.3 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 119.535 1.061 . . . . 0.0 112.505 172.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.3 t -82.72 -35.96 12.92 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 C-N-CA 124.286 1.034 . . . . 0.0 108.222 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 66.4 mt -66.08 -36.6 77.85 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 C-N-CA 125.215 1.406 . . . . 0.0 110.517 172.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -57.06 -44.98 83.57 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 119.739 1.154 . . . . 0.0 109.656 169.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.78 -48.32 82.16 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.57 0.748 . . . . 0.0 110.217 177.38 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 18.8 tp -58.48 -45.16 89.24 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 123.641 0.776 . . . . 0.0 111.701 174.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -59.65 -47.16 86.71 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 119.318 0.963 . . . . 0.0 110.784 176.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.9 ttpp -63.93 -40.05 95.57 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 120.77 0.319 . . . . 0.0 110.427 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 45.1 t -57.12 -50.27 73.33 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 125.322 1.449 . . . . 0.0 110.975 173.578 -176.985 -99.218 -102.989 100.466 2.028 101.898 -73.326 -42.595 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.61 -44.09 96.7 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 123.759 0.824 . . . . 0.0 110.455 179.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.19 -31.95 71.71 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.578 0.751 . . . . 0.0 112.153 176.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -72.12 -64.38 0.95 Allowed 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 118.733 0.697 . . . . 0.0 110.482 170.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 . . . . . 0 N--CA 1.451 -0.407 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 -175.556 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.1 p30 . . . . . 0 CA--C 1.546 0.823 0 CA-C-O 117.246 -1.359 . . . . 0.0 108.483 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_exo -50.47 -80.85 0.02 OUTLIER 'Trans proline' 0 C--N 1.353 0.799 0 C-N-CA 124.09 3.193 . . . . 0.0 113.404 175.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.9 m -147.08 25.88 1.11 Allowed 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 -165.275 -42.595 -73.326 -102.989 101.898 2.028 100.466 -99.218 -176.985 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -60.3 -33.97 73.12 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.428 -0.795 . . . . 0.0 111.327 -178.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.57 -51.45 69.45 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 118.519 0.6 . . . . 0.0 110.439 171.727 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 21.8 mp0 -58.78 -45.31 90.12 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-O 118.308 -0.853 . . . . 0.0 109.94 177.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.44 -46.55 86.29 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 119.022 0.828 . . . . 0.0 110.858 178.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.9 -46.42 89.44 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 123.724 0.81 . . . . 0.0 111.127 176.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -68.36 -30.09 68.96 Favored 'General case' 0 C--O 1.223 -0.338 0 C-N-CA 123.815 0.846 . . . . 0.0 112.088 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.7 mt -64.75 -48.97 82.35 Favored 'Isoleucine or valine' 0 C--O 1.232 0.151 0 C-N-CA 124.499 1.12 . . . . 0.0 108.507 171.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -55.02 -51.7 65.46 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 118.225 0.466 . . . . 0.0 110.066 173.088 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.2 tttp -56.27 -49.31 74.6 Favored 'General case' 0 C--N 1.341 0.226 0 C-N-CA 125.224 1.41 . . . . 0.0 110.495 -178.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.7 t -58.81 -51.85 68.22 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 124.27 1.028 . . . . 0.0 109.257 177.87 -177.511 -78.48 -90.066 103.176 2.032 103.085 -68.753 -59.287 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 mp -60.05 -46.94 87.86 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 118.618 0.645 . . . . 0.0 110.388 -178.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.02 -47.52 64.96 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 124.668 1.187 . . . . 0.0 110.762 176.357 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.45 -13.11 61.99 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 178.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -123.91 22.96 8.75 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 126.914 2.086 . . . . 0.0 110.346 -175.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.3 m 55.98 35.69 25.99 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.495 1.518 . . . . 0.0 113.102 174.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 65.94 16.98 10.69 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.615 1.966 . . . . 0.0 113.088 -177.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 77.3 mt -76.19 88.28 3.06 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 122.961 1.362 . . . . 0.0 108.54 171.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -46.44 -37.71 8.11 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 112.709 -2.041 . . . . 0.0 112.069 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.5 m -54.52 -28.77 47.6 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 125.625 1.57 . . . . 0.0 113.359 178.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.9 mttt -82.8 -11.02 58.59 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 119.137 0.881 . . . . 0.0 111.608 179.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 83.0 m -124.49 1.0 8.29 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 126.842 2.057 . . . . 0.0 111.09 -170.722 -59.287 -68.753 -90.066 103.085 2.032 103.176 -78.48 -177.511 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -57.56 -35.16 69.98 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 124.492 1.117 . . . . 0.0 111.843 174.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.83 -29.49 68.3 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 119.535 1.061 . . . . 0.0 112.505 172.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.3 t -82.72 -35.96 12.92 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 C-N-CA 124.286 1.034 . . . . 0.0 108.222 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 66.4 mt -66.08 -36.6 77.85 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 C-N-CA 125.215 1.406 . . . . 0.0 110.517 172.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -57.06 -44.98 83.57 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 119.739 1.154 . . . . 0.0 109.656 169.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.78 -48.32 82.16 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.57 0.748 . . . . 0.0 110.217 177.38 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 18.8 tp -58.48 -45.16 89.24 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 123.641 0.776 . . . . 0.0 111.701 174.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -59.65 -47.16 86.71 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 119.318 0.963 . . . . 0.0 110.784 176.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.9 ttpp -63.93 -40.05 95.57 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 120.77 0.319 . . . . 0.0 110.427 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 45.1 t -57.12 -50.27 73.33 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 125.322 1.449 . . . . 0.0 110.975 173.578 -176.985 -99.218 -102.989 100.466 2.028 101.898 -73.326 -42.595 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.61 -44.09 96.7 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 123.759 0.824 . . . . 0.0 110.455 179.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.19 -31.95 71.71 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.578 0.751 . . . . 0.0 112.153 176.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -72.12 -64.38 0.95 Allowed 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 118.733 0.697 . . . . 0.0 110.482 170.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 . . . . . 0 N--CA 1.451 -0.407 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 -175.556 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.1 p30 . . . . . 0 CA--C 1.546 0.823 0 CA-C-O 117.246 -1.359 . . . . 0.0 108.483 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_exo -50.47 -80.85 0.02 OUTLIER 'Trans proline' 0 C--N 1.353 0.799 0 C-N-CA 124.09 3.193 . . . . 0.0 113.404 175.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.9 m -147.08 25.88 1.11 Allowed 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 -165.275 -42.595 -73.326 -102.989 101.898 2.028 100.466 -99.218 -176.985 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -60.3 -33.97 73.12 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.428 -0.795 . . . . 0.0 111.327 -178.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.57 -51.45 69.45 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 118.519 0.6 . . . . 0.0 110.439 171.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 21.8 mp0 -58.78 -45.31 90.12 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-O 118.308 -0.853 . . . . 0.0 109.94 177.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.44 -46.55 86.29 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 119.022 0.828 . . . . 0.0 110.858 178.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.9 -46.42 89.44 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 123.724 0.81 . . . . 0.0 111.127 176.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -68.36 -30.09 68.96 Favored 'General case' 0 C--O 1.223 -0.338 0 C-N-CA 123.815 0.846 . . . . 0.0 112.088 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.7 mt -64.75 -48.97 82.35 Favored 'Isoleucine or valine' 0 C--O 1.232 0.151 0 C-N-CA 124.499 1.12 . . . . 0.0 108.507 171.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -55.02 -51.7 65.46 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 118.225 0.466 . . . . 0.0 110.066 173.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.2 tttp -56.27 -49.31 74.6 Favored 'General case' 0 C--N 1.341 0.226 0 C-N-CA 125.224 1.41 . . . . 0.0 110.495 -178.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.7 t -58.81 -51.85 68.22 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 124.27 1.028 . . . . 0.0 109.257 177.87 -177.511 -78.48 -90.066 103.176 2.032 103.085 -68.753 -59.287 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 mp -60.05 -46.94 87.86 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 118.618 0.645 . . . . 0.0 110.388 -178.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.02 -47.52 64.96 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 124.668 1.187 . . . . 0.0 110.762 176.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.45 -13.11 61.99 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 178.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -123.91 22.96 8.75 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 126.914 2.086 . . . . 0.0 110.346 -175.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.3 m 55.98 35.69 25.99 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.495 1.518 . . . . 0.0 113.102 174.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 65.94 16.98 10.69 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.615 1.966 . . . . 0.0 113.088 -177.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 77.3 mt -76.19 88.28 3.06 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 122.961 1.362 . . . . 0.0 108.54 171.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -46.44 -37.71 8.11 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 112.709 -2.041 . . . . 0.0 112.069 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.5 m -54.52 -28.77 47.6 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 125.625 1.57 . . . . 0.0 113.359 178.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.9 mttt -82.8 -11.02 58.59 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 119.137 0.881 . . . . 0.0 111.608 179.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 83.0 m -124.49 1.0 8.29 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 126.842 2.057 . . . . 0.0 111.09 -170.722 -59.287 -68.753 -90.066 103.085 2.032 103.176 -78.48 -177.511 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -57.56 -35.16 69.98 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 124.492 1.117 . . . . 0.0 111.843 174.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.83 -29.49 68.3 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 119.535 1.061 . . . . 0.0 112.505 172.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.3 t -82.72 -35.96 12.92 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 C-N-CA 124.286 1.034 . . . . 0.0 108.222 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 66.4 mt -66.08 -36.6 77.85 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 C-N-CA 125.215 1.406 . . . . 0.0 110.517 172.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -57.06 -44.98 83.57 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 119.739 1.154 . . . . 0.0 109.656 169.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.78 -48.32 82.16 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.57 0.748 . . . . 0.0 110.217 177.38 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 18.8 tp -58.48 -45.16 89.24 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 123.641 0.776 . . . . 0.0 111.701 174.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -59.65 -47.16 86.71 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 119.318 0.963 . . . . 0.0 110.784 176.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.9 ttpp -63.93 -40.05 95.57 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 120.77 0.319 . . . . 0.0 110.427 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 45.1 t -57.12 -50.27 73.33 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 125.322 1.449 . . . . 0.0 110.975 173.578 -176.985 -99.218 -102.989 100.466 2.028 101.898 -73.326 -42.595 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.61 -44.09 96.7 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 123.759 0.824 . . . . 0.0 110.455 179.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.19 -31.95 71.71 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.578 0.751 . . . . 0.0 112.153 176.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -72.12 -64.38 0.95 Allowed 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 118.733 0.697 . . . . 0.0 110.482 170.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 . . . . . 0 N--CA 1.451 -0.407 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 -175.556 . . . . . . . . 0 0 . 1 stop_ save_