data_1atb_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 1atb _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' ' ' GLU . . . . . 0.468 ' CD ' ' N ' ' A' ' 1' ' ' GLU . 8.5 mp0 . . . . . 0 N--CA 1.492 1.626 0 N-CA-C 109.42 -0.585 . . . . 6.2800000000000002 109.42 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -81.5 121.49 26.35 Favored 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 119.427 -0.909 . . . . 3.2599999999999998 110.378 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -44.95 140.9 2.42 Favored 'General case' 0 N--CA 1.495 1.805 0 C-N-CA 119.362 -0.935 . . . . 5.4100000000000001 109.793 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.99 162.88 12.97 Favored 'General case' 0 N--CA 1.5 2.03 0 C-N-CA 119.309 -0.956 . . . . 5.25 110.179 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.6 m -94.24 -171.09 2.44 Favored 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 119.483 -0.887 . . . . 0.98999999999999999 110.376 -179.588 -34.48 -81.958 -120.189 104.815 2.02 103.875 -87.546 -91.072 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.476 ' H ' ' HG1' ' A' ' 6' ' ' THR . 2.9 p -95.38 -43.48 7.99 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 119.428 -0.909 . . . . 1.98 111.083 -179.294 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 52.1 mttt -84.68 148.82 52.63 Favored Pre-proline 0 N--CA 1.495 1.822 0 C-N-CA 119.214 -0.994 . . . . 2.98 110.245 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.549 ' O ' ' N ' ' A' ' 10' ' ' GLU . 1.2 Cg_endo -60.32 -179.56 0.26 Allowed 'Trans proline' 0 C--O 1.213 -0.769 0 C-N-CA 121.102 1.201 . . . . 1.0600000000000001 110.5 179.401 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 57.31 -78.62 0.02 OUTLIER 'General case' 0 N--CA 1.499 2.003 0 C-N-CA 119.779 -0.768 . . . . 0.83999999999999997 109.959 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.549 ' N ' ' O ' ' A' ' 8' ' ' PRO . 48.5 mt-10 -46.77 102.26 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 119.34 -0.944 . . . . 1.54 109.976 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -129.13 167.97 16.8 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 120.0 -0.68 . . . . 1.8300000000000001 109.281 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 61.3 t-105 -59.83 137.15 58.14 Favored 'General case' 0 C--N 1.294 -1.812 0 C-N-CA 119.075 -1.05 . . . . 0.48999999999999999 111.653 -179.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -141.81 136.91 31.11 Favored 'General case' 0 C--N 1.3 -1.56 0 C-N-CA 119.569 -0.853 . . . . 1.1100000000000001 108.843 177.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.3 mtpp -82.61 -15.79 50.83 Favored 'General case' 0 C--N 1.298 -1.649 0 C-N-CA 118.739 -1.184 . . . . 3.1299999999999999 110.377 -179.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -139.54 99.15 3.65 Favored 'General case' 0 N--CA 1.495 1.796 0 C-N-CA 119.705 -0.798 . . . . 0.59999999999999998 109.7 178.985 149.298 111.841 -59.872 104.591 2.023 104.472 -92.412 -82.686 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -94.72 -153.35 30.18 Favored Glycine 0 N--CA 1.492 2.384 0 C-N-CA 119.403 -1.379 . . . . 0.54000000000000004 110.704 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 80.43 -66.86 3.6 Favored Glycine 0 N--CA 1.49 2.277 0 C-N-CA 119.551 -1.309 . . . . 0.69999999999999996 110.719 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 78.4 m -94.11 156.96 16.3 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 119.414 -0.914 . . . . 0.93000000000000005 110.42 -179.749 -58.997 -129.603 -93.859 103.898 2.015 103.928 -154.85 -90.271 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.447 ' CG ' ' H ' ' A' ' 20' ' ' GLY . 3.4 tp10 -165.12 -146.49 0.09 Allowed 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 119.144 -1.023 . . . . 2.0800000000000001 110.662 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.447 ' H ' ' CG ' ' A' ' 19' ' ' GLU . . . -125.05 175.38 17.27 Favored Glycine 0 N--CA 1.491 2.341 0 C-N-CA 120.009 -1.091 . . . . 0.59999999999999998 110.508 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.513 ' C ' ' H ' ' A' ' 23' ' ' ALA . 41.3 p -141.86 179.32 6.93 Favored 'General case' 0 C--N 1.302 -1.473 0 C-N-CA 119.561 -0.856 . . . . 1.25 109.491 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.4 t -74.04 10.06 1.34 Allowed 'General case' 0 C--N 1.3 -1.57 0 C-N-CA 118.843 -1.143 . . . . 0.5 109.459 179.811 -154.039 96.128 151.601 103.443 2.016 103.699 -139.051 -98.12 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.513 ' H ' ' C ' ' A' ' 21' ' ' THR . . . -136.69 -14.48 1.65 Allowed 'General case' 0 N--CA 1.491 1.583 0 CA-C-N 115.462 -0.79 . . . . 1.1799999999999999 110.697 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -147.64 88.93 1.72 Allowed 'General case' 0 N--CA 1.493 1.715 0 C-N-CA 119.383 -0.927 . . . . 1.95 110.166 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -44.07 -34.67 1.84 Allowed 'General case' 0 N--CA 1.495 1.8 0 C-N-CA 119.585 -0.846 . . . . 2.6200000000000001 110.476 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.7 mt -136.17 121.94 29.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 C-N-CA 119.176 -1.009 . . . . 1.3899999999999999 110.918 -179.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.5 p -93.02 133.97 28.02 Favored Pre-proline 0 C--N 1.302 -1.469 0 CA-C-N 115.293 -0.867 . . . . 1.23 108.761 179.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -59.38 128.48 27.53 Favored 'Trans proline' 0 C--O 1.215 -0.673 0 C-N-CA 120.508 0.805 . . . . 0.63 110.306 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.7 m -148.1 144.55 27.91 Favored 'General case' 0 C--N 1.299 -1.594 0 C-N-CA 119.031 -1.068 . . . . 1.04 110.524 -179.97 -90.271 -154.85 -93.859 103.928 2.015 103.898 -129.603 -58.997 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.512 ' C ' ' H ' ' A' ' 32' ' ' GLU . 1.4 p -88.52 -152.23 0.22 Allowed 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 115.418 -0.81 . . . . 1.23 110.044 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.451 ' N ' ' OG1' ' A' ' 30' ' ' THR . 48.5 mtt180 -73.68 36.9 0.09 Allowed 'General case' 0 C--N 1.295 -1.789 0 C-N-CA 119.308 -0.957 . . . . 3.9700000000000002 111.122 -179.626 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.512 ' H ' ' C ' ' A' ' 30' ' ' THR . 58.5 mt-10 -103.81 69.21 0.95 Allowed 'General case' 0 N--CA 1.5 2.058 0 C-N-CA 119.629 -0.828 . . . . 2.23 109.988 179.183 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 12.8 m -105.76 116.93 32.77 Favored 'General case' 0 N--CA 1.497 1.879 0 C-N-CA 119.858 -0.737 . . . . 0.65000000000000002 110.2 -179.877 -82.686 -92.412 -59.872 104.472 2.023 104.591 111.841 149.298 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.9 mttt -53.17 158.1 2.73 Favored Pre-proline 0 N--CA 1.494 1.735 0 C-N-CA 118.923 -1.111 . . . . 2.6099999999999999 109.013 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -58.18 161.18 14.16 Favored 'Trans proline' 0 CA--C 1.552 1.391 0 C-N-CA 120.922 1.082 . . . . 0.5 110.978 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -57.52 127.15 24.27 Favored 'Trans proline' 0 C--O 1.214 -0.697 0 C-N-CA 121.777 1.651 . . . . 0.54000000000000004 111.038 179.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.4 ttt180 -174.27 162.74 3.7 Favored 'General case' 0 N--CA 1.496 1.831 0 C-N-CA 119.397 -0.921 . . . . 3.5099999999999998 110.483 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.6 m -58.46 133.72 56.03 Favored 'General case' 0 N--CA 1.498 1.939 0 C-N-CA 119.628 -0.829 . . . . 0.40999999999999998 109.962 178.463 -91.072 -87.546 -120.189 103.875 2.02 104.815 -81.958 -34.48 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -175.23 -172.28 0.57 Allowed 'General case' 0 N--CA 1.495 1.804 0 C-N-CA 118.904 -1.118 . . . . 1.8700000000000001 110.966 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.8 t -70.62 163.77 26.3 Favored 'General case' 0 N--CA 1.495 1.784 0 C-N-CA 119.92 -0.712 . . . . 0.40000000000000002 110.919 -179.461 -149.975 57.33 81.08 103.677 2.017 104.217 91.602 176.963 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.1 mp -138.28 110.51 6.38 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 C-N-CA 119.798 -0.761 . . . . 1.0700000000000001 110.588 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.41 -38.83 55.01 Favored 'General case' 0 N--CA 1.498 1.933 0 C-N-CA 119.234 -0.987 . . . . 1.1200000000000001 110.121 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.6 t -56.62 -11.67 1.45 Allowed 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 119.651 -0.82 . . . . 2.0099999999999998 110.841 -179.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -99.96 -42.0 6.95 Favored 'General case' 0 N--CA 1.497 1.901 0 C-N-CA 119.237 -0.985 . . . . 1.0700000000000001 110.439 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 133.99 20.35 0.85 Allowed Glycine 0 N--CA 1.496 2.698 0 C-N-CA 119.704 -1.236 . . . . 0.37 110.759 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -94.88 138.48 32.59 Favored 'General case' 0 N--CA 1.493 1.723 0 C-N-CA 119.4 -0.92 . . . . 0.46999999999999997 109.932 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.3 m -119.93 164.89 15.88 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.12 0 C-N-CA 119.758 -0.777 . . . . 1.1200000000000001 110.039 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -105.07 120.88 42.59 Favored 'General case' 0 N--CA 1.493 1.725 0 C-N-CA 119.54 -0.864 . . . . 3.1200000000000001 110.576 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.505 ' O ' ' N ' ' A' ' 52' ' ' GLY . 4.9 t70 -71.61 151.41 43.79 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 119.767 -0.773 . . . . 0.68999999999999995 110.18 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.21 -24.7 0.29 Allowed 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 119.727 -0.789 . . . . 1.29 109.829 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.52 ' O ' ' ND2' ' A' ' 53' ' ' ASN . 51.4 mt-30 -83.45 22.33 1.06 Allowed 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 119.311 -0.956 . . . . 2.9100000000000001 109.679 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 49' ' ' ASP . . . 53.44 39.41 59.62 Favored Glycine 0 N--CA 1.485 1.943 0 C-N-CA 119.393 -1.384 . . . . 0.71999999999999997 109.831 -179.643 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.52 ' ND2' ' O ' ' A' ' 51' ' ' GLN . 31.1 m-80 -117.5 120.62 38.64 Favored 'General case' 0 N--CA 1.503 2.205 0 C-N-CA 119.652 -0.819 . . . . 0.82999999999999996 110.638 -179.547 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 42.8 t -73.66 123.33 23.84 Favored 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 119.308 -0.957 . . . . 0.47999999999999998 110.516 -179.846 176.963 91.602 81.08 104.217 2.017 103.677 57.33 -149.975 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 23.6 pt -148.87 152.93 11.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 C-N-CA 119.526 -0.87 . . . . 1.0800000000000001 110.28 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.4 mtpp -46.61 160.34 0.08 Allowed 'General case' 0 N--CA 1.496 1.828 0 C-N-CA 119.504 -0.879 . . . . 2.6600000000000001 110.066 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -67.93 -33.5 74.81 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 119.122 -1.031 . . . . 0.58999999999999997 108.886 178.566 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -67.69 -24.72 65.44 Favored 'General case' 0 N--CA 1.494 1.752 0 C-N-CA 119.65 -0.82 . . . . 2.5 110.403 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -82.8 16.62 2.16 Favored 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 119.47 -0.892 . . . . 1.26 110.261 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.2 m -74.4 159.31 83.88 Favored Pre-proline 0 N--CA 1.492 1.674 0 C-N-CA 119.371 -0.932 . . . . 0.78000000000000003 110.258 -179.888 -98.12 -139.051 151.601 103.699 2.016 103.443 96.128 -154.039 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -59.96 150.12 80.11 Favored 'Trans proline' 0 C--O 1.215 -0.633 0 C-N-CA 120.92 1.08 . . . . 1.3700000000000001 109.719 178.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.869 0 CA-C-O 116.374 -1.774 . . . . 4.5800000000000001 110.179 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.496 ' H1 ' ' CD ' ' A' ' 1' ' ' GLU . 8.5 mp0 . . . . . 0 N--CA 1.492 1.626 0 N-CA-C 109.42 -0.585 . . . . 6.2800000000000002 109.42 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -81.5 121.49 26.35 Favored 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 119.427 -0.909 . . . . 2.9900000000000002 110.378 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -44.95 140.9 2.42 Favored 'General case' 0 N--CA 1.495 1.805 0 C-N-CA 119.362 -0.935 . . . . 5.4100000000000001 109.793 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.99 162.88 12.97 Favored 'General case' 0 N--CA 1.5 2.03 0 C-N-CA 119.309 -0.956 . . . . 4.8899999999999997 110.179 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.6 m -94.24 -171.09 2.44 Favored 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 119.483 -0.887 . . . . 0.98999999999999999 110.376 -179.588 -34.48 -81.958 -120.189 104.815 2.02 103.875 -87.546 -91.072 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.9 p -95.38 -43.48 7.99 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 119.428 -0.909 . . . . 1.53 111.083 -179.294 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 52.1 mttt -84.68 148.82 52.63 Favored Pre-proline 0 N--CA 1.495 1.822 0 C-N-CA 119.214 -0.994 . . . . 2.5800000000000001 110.245 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.549 ' O ' ' N ' ' A' ' 10' ' ' GLU . 1.2 Cg_endo -60.32 -179.56 0.26 Allowed 'Trans proline' 0 C--O 1.213 -0.769 0 C-N-CA 121.102 1.201 . . . . 0.93999999999999995 110.5 179.401 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 57.31 -78.62 0.02 OUTLIER 'General case' 0 N--CA 1.499 2.003 0 C-N-CA 119.779 -0.768 . . . . 0.64000000000000001 109.959 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.549 ' N ' ' O ' ' A' ' 8' ' ' PRO . 48.5 mt-10 -46.77 102.26 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 119.34 -0.944 . . . . 1.54 109.976 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.478 ' CB ' HD11 ' A' ' 41' ' ' ILE . 2.4 tt0 -129.13 167.97 16.8 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 120.0 -0.68 . . . . 1.1399999999999999 109.281 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.408 ' HE1' ' HG3' ' A' ' 14' ' ' LYS . 61.3 t-105 -59.83 137.15 58.14 Favored 'General case' 0 C--N 1.294 -1.812 0 C-N-CA 119.075 -1.05 . . . . 0.45000000000000001 111.653 -179.095 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.423 HG22 ' O ' ' A' ' 37' ' ' ARG . 0.7 OUTLIER -141.81 136.91 31.11 Favored 'General case' 0 C--N 1.3 -1.56 0 C-N-CA 119.569 -0.853 . . . . 0.55000000000000004 108.843 177.731 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.408 ' HG3' ' HE1' ' A' ' 12' ' ' TRP . 6.3 mtpp -82.61 -15.79 50.83 Favored 'General case' 0 C--N 1.298 -1.649 0 C-N-CA 118.739 -1.184 . . . . 2.6899999999999999 110.377 -179.267 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -139.54 99.15 3.65 Favored 'General case' 0 N--CA 1.495 1.796 0 C-N-CA 119.705 -0.798 . . . . 0.54000000000000004 109.7 178.985 149.298 111.841 -59.872 104.591 2.023 104.472 -92.412 -82.686 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -94.72 -153.35 30.18 Favored Glycine 0 N--CA 1.492 2.384 0 C-N-CA 119.403 -1.379 . . . . 0.54000000000000004 110.704 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 80.43 -66.86 3.6 Favored Glycine 0 N--CA 1.49 2.277 0 C-N-CA 119.551 -1.309 . . . . 0.69999999999999996 110.719 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 78.4 m -94.11 156.96 16.3 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 119.414 -0.914 . . . . 0.85999999999999999 110.42 -179.749 -58.997 -129.603 -93.859 103.898 2.015 103.928 -154.85 -90.271 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.48 ' O ' HG12 ' A' ' 27' ' ' VAL . 3.4 tp10 -165.12 -146.49 0.09 Allowed 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 119.144 -1.023 . . . . 2.0800000000000001 110.662 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.416 ' H ' ' CG ' ' A' ' 19' ' ' GLU . . . -125.05 175.38 17.27 Favored Glycine 0 N--CA 1.491 2.341 0 C-N-CA 120.009 -1.091 . . . . 0.52000000000000002 110.508 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.465 ' C ' ' H ' ' A' ' 23' ' ' ALA . 41.3 p -141.86 179.32 6.93 Favored 'General case' 0 C--N 1.302 -1.473 0 C-N-CA 119.561 -0.856 . . . . 0.68999999999999995 109.491 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.4 t -74.04 10.06 1.34 Allowed 'General case' 0 C--N 1.3 -1.57 0 C-N-CA 118.843 -1.143 . . . . 0.44 109.459 179.811 -154.039 96.128 151.601 103.443 2.016 103.699 -139.051 -98.12 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.465 ' H ' ' C ' ' A' ' 21' ' ' THR . . . -136.69 -14.48 1.65 Allowed 'General case' 0 N--CA 1.491 1.583 0 CA-C-N 115.462 -0.79 . . . . 0.52000000000000002 110.697 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -147.64 88.93 1.72 Allowed 'General case' 0 N--CA 1.493 1.715 0 C-N-CA 119.383 -0.927 . . . . 1.95 110.166 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -44.07 -34.67 1.84 Allowed 'General case' 0 N--CA 1.495 1.8 0 C-N-CA 119.585 -0.846 . . . . 2.0499999999999998 110.476 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.7 mt -136.17 121.94 29.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 C-N-CA 119.176 -1.009 . . . . 0.81000000000000005 110.918 -179.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.48 HG12 ' O ' ' A' ' 19' ' ' GLU . 14.5 p -93.02 133.97 28.02 Favored Pre-proline 0 C--N 1.302 -1.469 0 CA-C-N 115.293 -0.867 . . . . 0.55000000000000004 108.761 179.311 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -59.38 128.48 27.53 Favored 'Trans proline' 0 C--O 1.215 -0.673 0 C-N-CA 120.508 0.805 . . . . 0.60999999999999999 110.306 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.7 m -148.1 144.55 27.91 Favored 'General case' 0 C--N 1.299 -1.594 0 C-N-CA 119.031 -1.068 . . . . 1.04 110.524 -179.97 -90.271 -154.85 -93.859 103.928 2.015 103.898 -129.603 -58.997 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.469 ' C ' ' H ' ' A' ' 32' ' ' GLU . 1.4 p -88.52 -152.23 0.22 Allowed 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 115.418 -0.81 . . . . 0.64000000000000001 110.044 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.451 ' N ' ' OG1' ' A' ' 30' ' ' THR . 48.5 mtt180 -73.68 36.9 0.09 Allowed 'General case' 0 C--N 1.295 -1.789 0 C-N-CA 119.308 -0.957 . . . . 3.3500000000000001 111.122 -179.626 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.469 ' H ' ' C ' ' A' ' 30' ' ' THR . 58.5 mt-10 -103.81 69.21 0.95 Allowed 'General case' 0 N--CA 1.5 2.058 0 C-N-CA 119.629 -0.828 . . . . 2.23 109.988 179.183 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 12.8 m -105.76 116.93 32.77 Favored 'General case' 0 N--CA 1.497 1.879 0 C-N-CA 119.858 -0.737 . . . . 0.57999999999999996 110.2 -179.877 -82.686 -92.412 -59.872 104.472 2.023 104.591 111.841 149.298 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.9 mttt -53.17 158.1 2.73 Favored Pre-proline 0 N--CA 1.494 1.735 0 C-N-CA 118.923 -1.111 . . . . 2.0600000000000001 109.013 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -58.18 161.18 14.16 Favored 'Trans proline' 0 CA--C 1.552 1.391 0 C-N-CA 120.922 1.082 . . . . 0.46000000000000002 110.978 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -57.52 127.15 24.27 Favored 'Trans proline' 0 C--O 1.214 -0.697 0 C-N-CA 121.777 1.651 . . . . 0.5 111.038 179.117 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.423 ' O ' HG22 ' A' ' 13' ' ' THR . 30.4 ttt180 -174.27 162.74 3.7 Favored 'General case' 0 N--CA 1.496 1.831 0 C-N-CA 119.397 -0.921 . . . . 2.8500000000000001 110.483 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.6 m -58.46 133.72 56.03 Favored 'General case' 0 N--CA 1.498 1.939 0 C-N-CA 119.628 -0.829 . . . . 0.38 109.962 178.463 -91.072 -87.546 -120.189 103.875 2.02 104.815 -81.958 -34.48 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -175.23 -172.28 0.57 Allowed 'General case' 0 N--CA 1.495 1.804 0 C-N-CA 118.904 -1.118 . . . . 1.8700000000000001 110.966 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.8 t -70.62 163.77 26.3 Favored 'General case' 0 N--CA 1.495 1.784 0 C-N-CA 119.92 -0.712 . . . . 0.34000000000000002 110.919 -179.461 -149.975 57.33 81.08 103.677 2.017 104.217 91.602 176.963 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.478 HD11 ' CB ' ' A' ' 11' ' ' GLN . 4.1 mp -138.28 110.51 6.38 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 C-N-CA 119.798 -0.761 . . . . 0.29999999999999999 110.588 -179.399 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.433 ' HB2' ' HG3' ' A' ' 19' ' ' GLU . . . -76.41 -38.83 55.01 Favored 'General case' 0 N--CA 1.498 1.933 0 C-N-CA 119.234 -0.987 . . . . 0.45000000000000001 110.121 179.681 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.6 t -56.62 -11.67 1.45 Allowed 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 119.651 -0.82 . . . . 1.49 110.841 -179.295 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -99.96 -42.0 6.95 Favored 'General case' 0 N--CA 1.497 1.901 0 C-N-CA 119.237 -0.985 . . . . 0.35999999999999999 110.439 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 133.99 20.35 0.85 Allowed Glycine 0 N--CA 1.496 2.698 0 C-N-CA 119.704 -1.236 . . . . 0.37 110.759 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -94.88 138.48 32.59 Favored 'General case' 0 N--CA 1.493 1.723 0 C-N-CA 119.4 -0.92 . . . . 0.40000000000000002 109.932 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.3 m -119.93 164.89 15.88 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.12 0 C-N-CA 119.758 -0.777 . . . . 0.39000000000000001 110.039 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -105.07 120.88 42.59 Favored 'General case' 0 N--CA 1.493 1.725 0 C-N-CA 119.54 -0.864 . . . . 2.6099999999999999 110.576 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.505 ' O ' ' N ' ' A' ' 52' ' ' GLY . 4.9 t70 -71.61 151.41 43.79 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 119.767 -0.773 . . . . 0.68999999999999995 110.18 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.21 -24.7 0.29 Allowed 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 119.727 -0.789 . . . . 0.70999999999999996 109.829 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 49' ' ' ASP . 51.4 mt-30 -83.45 22.33 1.06 Allowed 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 119.311 -0.956 . . . . 2.3300000000000001 109.679 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 49' ' ' ASP . . . 53.44 39.41 59.62 Favored Glycine 0 N--CA 1.485 1.943 0 C-N-CA 119.393 -1.384 . . . . 0.68999999999999995 109.831 -179.643 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -117.5 120.62 38.64 Favored 'General case' 0 N--CA 1.503 2.205 0 C-N-CA 119.652 -0.819 . . . . 0.82999999999999996 110.638 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 42.8 t -73.66 123.33 23.84 Favored 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 119.308 -0.957 . . . . 0.39000000000000001 110.516 -179.846 176.963 91.602 81.08 104.217 2.017 103.677 57.33 -149.975 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 23.6 pt -148.87 152.93 11.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 C-N-CA 119.526 -0.87 . . . . 0.37 110.28 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.4 mtpp -46.61 160.34 0.08 Allowed 'General case' 0 N--CA 1.496 1.828 0 C-N-CA 119.504 -0.879 . . . . 2.1699999999999999 110.066 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -67.93 -33.5 74.81 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 119.122 -1.031 . . . . 0.51000000000000001 108.886 178.566 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -67.69 -24.72 65.44 Favored 'General case' 0 N--CA 1.494 1.752 0 C-N-CA 119.65 -0.82 . . . . 2.5 110.403 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -82.8 16.62 2.16 Favored 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 119.47 -0.892 . . . . 1.26 110.261 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.2 m -74.4 159.31 83.88 Favored Pre-proline 0 N--CA 1.492 1.674 0 C-N-CA 119.371 -0.932 . . . . 0.78000000000000003 110.258 -179.888 -98.12 -139.051 151.601 103.699 2.016 103.443 96.128 -154.039 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -59.96 150.12 80.11 Favored 'Trans proline' 0 C--O 1.215 -0.633 0 C-N-CA 120.92 1.08 . . . . 1.1899999999999999 109.719 178.159 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.869 0 CA-C-O 116.374 -1.774 . . . . 4.2300000000000004 110.179 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.496 ' H1 ' ' CD ' ' A' ' 1' ' ' GLU . 8.5 mp0 . . . . . 0 N--CA 1.492 1.626 0 N-CA-C 109.42 -0.585 . . . . 6.2800000000000002 109.42 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -81.5 121.49 26.35 Favored 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 119.427 -0.909 . . . . 2.9900000000000002 110.378 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -44.95 140.9 2.42 Favored 'General case' 0 N--CA 1.495 1.805 0 C-N-CA 119.362 -0.935 . . . . 5.4100000000000001 109.793 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.99 162.88 12.97 Favored 'General case' 0 N--CA 1.5 2.03 0 C-N-CA 119.309 -0.956 . . . . 4.8899999999999997 110.179 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.6 m -94.24 -171.09 2.44 Favored 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 119.483 -0.887 . . . . 0.98999999999999999 110.376 -179.588 -34.48 -81.958 -120.189 104.815 2.02 103.875 -87.546 -91.072 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.9 p -95.38 -43.48 7.99 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 119.428 -0.909 . . . . 1.53 111.083 -179.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 52.1 mttt -84.68 148.82 52.63 Favored Pre-proline 0 N--CA 1.495 1.822 0 C-N-CA 119.214 -0.994 . . . . 2.5800000000000001 110.245 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.549 ' O ' ' N ' ' A' ' 10' ' ' GLU . 1.2 Cg_endo -60.32 -179.56 0.26 Allowed 'Trans proline' 0 C--O 1.213 -0.769 0 C-N-CA 121.102 1.201 . . . . 0.93999999999999995 110.5 179.401 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 57.31 -78.62 0.02 OUTLIER 'General case' 0 N--CA 1.499 2.003 0 C-N-CA 119.779 -0.768 . . . . 0.64000000000000001 109.959 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.549 ' N ' ' O ' ' A' ' 8' ' ' PRO . 48.5 mt-10 -46.77 102.26 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 119.34 -0.944 . . . . 1.54 109.976 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.478 ' CB ' HD11 ' A' ' 41' ' ' ILE . 2.4 tt0 -129.13 167.97 16.8 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 120.0 -0.68 . . . . 1.1399999999999999 109.281 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.408 ' HE1' ' HG3' ' A' ' 14' ' ' LYS . 61.3 t-105 -59.83 137.15 58.14 Favored 'General case' 0 C--N 1.294 -1.812 0 C-N-CA 119.075 -1.05 . . . . 0.45000000000000001 111.653 -179.095 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.423 HG22 ' O ' ' A' ' 37' ' ' ARG . 0.7 OUTLIER -141.81 136.91 31.11 Favored 'General case' 0 C--N 1.3 -1.56 0 C-N-CA 119.569 -0.853 . . . . 0.55000000000000004 108.843 177.731 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.408 ' HG3' ' HE1' ' A' ' 12' ' ' TRP . 6.3 mtpp -82.61 -15.79 50.83 Favored 'General case' 0 C--N 1.298 -1.649 0 C-N-CA 118.739 -1.184 . . . . 2.6899999999999999 110.377 -179.267 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -139.54 99.15 3.65 Favored 'General case' 0 N--CA 1.495 1.796 0 C-N-CA 119.705 -0.798 . . . . 0.54000000000000004 109.7 178.985 149.298 111.841 -59.872 104.591 2.023 104.472 -92.412 -82.686 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -94.72 -153.35 30.18 Favored Glycine 0 N--CA 1.492 2.384 0 C-N-CA 119.403 -1.379 . . . . 0.54000000000000004 110.704 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 80.43 -66.86 3.6 Favored Glycine 0 N--CA 1.49 2.277 0 C-N-CA 119.551 -1.309 . . . . 0.69999999999999996 110.719 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 78.4 m -94.11 156.96 16.3 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 119.414 -0.914 . . . . 0.85999999999999999 110.42 -179.749 -58.997 -129.603 -93.859 103.898 2.015 103.928 -154.85 -90.271 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.48 ' O ' HG12 ' A' ' 27' ' ' VAL . 3.4 tp10 -165.12 -146.49 0.09 Allowed 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 119.144 -1.023 . . . . 2.0800000000000001 110.662 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.416 ' H ' ' CG ' ' A' ' 19' ' ' GLU . . . -125.05 175.38 17.27 Favored Glycine 0 N--CA 1.491 2.341 0 C-N-CA 120.009 -1.091 . . . . 0.52000000000000002 110.508 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.465 ' C ' ' H ' ' A' ' 23' ' ' ALA . 41.3 p -141.86 179.32 6.93 Favored 'General case' 0 C--N 1.302 -1.473 0 C-N-CA 119.561 -0.856 . . . . 0.68999999999999995 109.491 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.4 t -74.04 10.06 1.34 Allowed 'General case' 0 C--N 1.3 -1.57 0 C-N-CA 118.843 -1.143 . . . . 0.44 109.459 179.811 -154.039 96.128 151.601 103.443 2.016 103.699 -139.051 -98.12 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.465 ' H ' ' C ' ' A' ' 21' ' ' THR . . . -136.69 -14.48 1.65 Allowed 'General case' 0 N--CA 1.491 1.583 0 CA-C-N 115.462 -0.79 . . . . 0.52000000000000002 110.697 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -147.64 88.93 1.72 Allowed 'General case' 0 N--CA 1.493 1.715 0 C-N-CA 119.383 -0.927 . . . . 1.95 110.166 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -44.07 -34.67 1.84 Allowed 'General case' 0 N--CA 1.495 1.8 0 C-N-CA 119.585 -0.846 . . . . 2.0499999999999998 110.476 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.7 mt -136.17 121.94 29.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 C-N-CA 119.176 -1.009 . . . . 0.81000000000000005 110.918 -179.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.48 HG12 ' O ' ' A' ' 19' ' ' GLU . 14.5 p -93.02 133.97 28.02 Favored Pre-proline 0 C--N 1.302 -1.469 0 CA-C-N 115.293 -0.867 . . . . 0.55000000000000004 108.761 179.311 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -59.38 128.48 27.53 Favored 'Trans proline' 0 C--O 1.215 -0.673 0 C-N-CA 120.508 0.805 . . . . 0.60999999999999999 110.306 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.7 m -148.1 144.55 27.91 Favored 'General case' 0 C--N 1.299 -1.594 0 C-N-CA 119.031 -1.068 . . . . 1.04 110.524 -179.97 -90.271 -154.85 -93.859 103.928 2.015 103.898 -129.603 -58.997 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.469 ' C ' ' H ' ' A' ' 32' ' ' GLU . 1.4 p -88.52 -152.23 0.22 Allowed 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 115.418 -0.81 . . . . 0.64000000000000001 110.044 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.451 ' N ' ' OG1' ' A' ' 30' ' ' THR . 48.5 mtt180 -73.68 36.9 0.09 Allowed 'General case' 0 C--N 1.295 -1.789 0 C-N-CA 119.308 -0.957 . . . . 3.3500000000000001 111.122 -179.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.469 ' H ' ' C ' ' A' ' 30' ' ' THR . 58.5 mt-10 -103.81 69.21 0.95 Allowed 'General case' 0 N--CA 1.5 2.058 0 C-N-CA 119.629 -0.828 . . . . 2.23 109.988 179.183 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 12.8 m -105.76 116.93 32.77 Favored 'General case' 0 N--CA 1.497 1.879 0 C-N-CA 119.858 -0.737 . . . . 0.57999999999999996 110.2 -179.877 -82.686 -92.412 -59.872 104.472 2.023 104.591 111.841 149.298 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.9 mttt -53.17 158.1 2.73 Favored Pre-proline 0 N--CA 1.494 1.735 0 C-N-CA 118.923 -1.111 . . . . 2.0600000000000001 109.013 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -58.18 161.18 14.16 Favored 'Trans proline' 0 CA--C 1.552 1.391 0 C-N-CA 120.922 1.082 . . . . 0.46000000000000002 110.978 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -57.52 127.15 24.27 Favored 'Trans proline' 0 C--O 1.214 -0.697 0 C-N-CA 121.777 1.651 . . . . 0.5 111.038 179.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.423 ' O ' HG22 ' A' ' 13' ' ' THR . 30.4 ttt180 -174.27 162.74 3.7 Favored 'General case' 0 N--CA 1.496 1.831 0 C-N-CA 119.397 -0.921 . . . . 2.8500000000000001 110.483 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.6 m -58.46 133.72 56.03 Favored 'General case' 0 N--CA 1.498 1.939 0 C-N-CA 119.628 -0.829 . . . . 0.38 109.962 178.463 -91.072 -87.546 -120.189 103.875 2.02 104.815 -81.958 -34.48 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -175.23 -172.28 0.57 Allowed 'General case' 0 N--CA 1.495 1.804 0 C-N-CA 118.904 -1.118 . . . . 1.8700000000000001 110.966 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.8 t -70.62 163.77 26.3 Favored 'General case' 0 N--CA 1.495 1.784 0 C-N-CA 119.92 -0.712 . . . . 0.34000000000000002 110.919 -179.461 -149.975 57.33 81.08 103.677 2.017 104.217 91.602 176.963 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.478 HD11 ' CB ' ' A' ' 11' ' ' GLN . 4.1 mp -138.28 110.51 6.38 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 C-N-CA 119.798 -0.761 . . . . 0.29999999999999999 110.588 -179.399 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.433 ' HB2' ' HG3' ' A' ' 19' ' ' GLU . . . -76.41 -38.83 55.01 Favored 'General case' 0 N--CA 1.498 1.933 0 C-N-CA 119.234 -0.987 . . . . 0.45000000000000001 110.121 179.681 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.6 t -56.62 -11.67 1.45 Allowed 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 119.651 -0.82 . . . . 1.49 110.841 -179.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -99.96 -42.0 6.95 Favored 'General case' 0 N--CA 1.497 1.901 0 C-N-CA 119.237 -0.985 . . . . 0.35999999999999999 110.439 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 133.99 20.35 0.85 Allowed Glycine 0 N--CA 1.496 2.698 0 C-N-CA 119.704 -1.236 . . . . 0.37 110.759 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -94.88 138.48 32.59 Favored 'General case' 0 N--CA 1.493 1.723 0 C-N-CA 119.4 -0.92 . . . . 0.40000000000000002 109.932 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.3 m -119.93 164.89 15.88 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.12 0 C-N-CA 119.758 -0.777 . . . . 0.39000000000000001 110.039 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -105.07 120.88 42.59 Favored 'General case' 0 N--CA 1.493 1.725 0 C-N-CA 119.54 -0.864 . . . . 2.6099999999999999 110.576 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.505 ' O ' ' N ' ' A' ' 52' ' ' GLY . 4.9 t70 -71.61 151.41 43.79 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 119.767 -0.773 . . . . 0.68999999999999995 110.18 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.21 -24.7 0.29 Allowed 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 119.727 -0.789 . . . . 0.70999999999999996 109.829 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.52 ' O ' ' ND2' ' A' ' 53' ' ' ASN . 51.4 mt-30 -83.45 22.33 1.06 Allowed 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 119.311 -0.956 . . . . 2.3300000000000001 109.679 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 49' ' ' ASP . . . 53.44 39.41 59.62 Favored Glycine 0 N--CA 1.485 1.943 0 C-N-CA 119.393 -1.384 . . . . 0.68999999999999995 109.831 -179.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.52 ' ND2' ' O ' ' A' ' 51' ' ' GLN . 31.1 m-80 -117.5 120.62 38.64 Favored 'General case' 0 N--CA 1.503 2.205 0 C-N-CA 119.652 -0.819 . . . . 0.82999999999999996 110.638 -179.547 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 42.8 t -73.66 123.33 23.84 Favored 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 119.308 -0.957 . . . . 0.39000000000000001 110.516 -179.846 176.963 91.602 81.08 104.217 2.017 103.677 57.33 -149.975 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 23.6 pt -148.87 152.93 11.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 C-N-CA 119.526 -0.87 . . . . 0.37 110.28 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.4 mtpp -46.61 160.34 0.08 Allowed 'General case' 0 N--CA 1.496 1.828 0 C-N-CA 119.504 -0.879 . . . . 2.1699999999999999 110.066 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -67.93 -33.5 74.81 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 119.122 -1.031 . . . . 0.51000000000000001 108.886 178.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -67.69 -24.72 65.44 Favored 'General case' 0 N--CA 1.494 1.752 0 C-N-CA 119.65 -0.82 . . . . 2.5 110.403 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -82.8 16.62 2.16 Favored 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 119.47 -0.892 . . . . 1.26 110.261 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.2 m -74.4 159.31 83.88 Favored Pre-proline 0 N--CA 1.492 1.674 0 C-N-CA 119.371 -0.932 . . . . 0.78000000000000003 110.258 -179.888 -98.12 -139.051 151.601 103.699 2.016 103.443 96.128 -154.039 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -59.96 150.12 80.11 Favored 'Trans proline' 0 C--O 1.215 -0.633 0 C-N-CA 120.92 1.08 . . . . 1.1899999999999999 109.719 178.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.869 0 CA-C-O 116.374 -1.774 . . . . 4.2300000000000004 110.179 -179.834 . . . . . . . . 1 1 . 1 stop_ save_