data_1sap_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 1sap _Structure_validation_residue.Date_analyzed 2016-10-07 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 . . . . . . . . . . . . . 1.6 ptp . . . . . 0 CA--C 1.528 0.126 0 CA-C-O 120.36 0.124 . . . . 5.9000000000000004 110.969 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -135.1 24.14 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-O 122.315 1.055 . . . . 3.6899999999999999 112.272 -148.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 13.7 pttt -69.87 167.54 17.1 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 105.85 -1.908 . . . . 2.3100000000000001 105.85 148.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 70.5 t -90.16 107.23 18.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 N-CA-C 108.458 -0.941 . . . . 0.90000000000000002 108.458 -166.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 58.6 mtmt -78.66 135.9 37.32 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 108.938 -0.764 . . . . 2.0299999999999998 108.938 169.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -165.92 -149.51 0.11 Allowed 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.5 1.92 . . . . 0.91000000000000003 108.214 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.7 pttm -141.29 135.05 30.22 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 125.73 1.612 . . . . 2.4199999999999999 109.419 -175.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -167.86 169.15 11.73 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.393 1.477 . . . . 1.0800000000000001 107.892 177.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . 0.271 0.7 OUTLIER 46.49 29.68 0.95 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.095 1.358 . . . . 2.2599999999999998 113.241 -178.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 63.09 33.55 87.55 Favored Glycine 0 CA--C 1.531 1.045 0 C-N-CA 123.774 0.702 . . . . 1.28 112.995 -178.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -152.09 -179.13 7.23 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 118.655 1.227 . . . . 3.4199999999999999 108.321 174.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.9 tm-20 -70.95 148.14 48.0 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 106.572 -1.64 . . . . 1.51 106.572 168.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -139.61 138.06 35.84 Favored 'General case' 0 N--CA 1.441 -0.887 0 C-N-CA 123.02 0.528 . . . . 2.1600000000000001 109.975 -178.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -118.26 128.08 54.33 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 104.85 -2.278 . . . . 1.53 104.85 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.492 HG22 ' CD1' ' A' ' 34' ' ' TYR . 0.8 OUTLIER -128.01 136.26 60.71 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-N 119.554 1.07 . . . . 1.1499999999999999 112.49 178.658 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -90.05 150.69 21.98 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.092 -0.706 . . . . 1.8100000000000001 109.092 176.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -48.56 -37.14 17.07 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 125.487 1.515 . . . . 2.5499999999999998 113.92 175.018 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.0 p -48.07 -32.08 6.3 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 118.183 0.447 . . . . 1.6599999999999999 110.703 176.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -96.96 -10.5 26.16 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 114.554 1.316 . . . . 2.0 114.554 -178.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 9.4 mt -78.11 134.19 28.78 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-N 121.841 2.11 . . . . 0.68000000000000005 111.53 -171.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -104.46 -40.71 5.96 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.593 1.557 . . . . 2.5800000000000001 110.696 -167.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.9 tmtt? -161.86 152.49 17.56 Favored 'General case' 0 N--CA 1.462 0.149 0 N-CA-C 107.578 -1.267 . . . . 2.46 107.578 -179.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.4 p -141.56 140.54 31.05 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 N-CA-C 107.991 -1.115 . . . . 1.0 107.991 165.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 12.9 p90 -156.92 173.21 17.35 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.609 1.564 . . . . 0.65000000000000002 107.51 -179.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.5 mmt85 -93.29 113.68 25.94 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 123.425 0.69 . . . . 2.5899999999999999 109.438 171.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.0 p -78.32 73.12 0.57 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 N-CA-C 107.632 -1.247 . . . . 0.95999999999999996 107.632 163.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.62 -90.4 0.07 OUTLIER Glycine 0 CA--C 1.527 0.824 0 CA-C-N 115.691 -0.686 . . . . 1.5 111.438 178.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -79.15 -42.79 25.35 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.79 1.236 . . . . 4.3099999999999996 111.031 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 40.2 mtp -105.12 151.98 23.35 Favored 'General case' 0 C--N 1.339 0.131 0 CA-C-O 120.988 0.423 . . . . 1.0900000000000001 111.618 -164.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 55.8 t -78.49 122.98 34.67 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.561 0 N-CA-C 105.061 -2.199 . . . . 1.1399999999999999 105.061 171.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.9 p -119.34 135.05 54.9 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 126.123 1.769 . . . . 0.85999999999999999 107.667 -177.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -136.29 161.87 34.59 Favored 'General case' 0 CA--C 1.507 -0.685 0 CA-C-N 119.065 0.848 . . . . 0.79000000000000004 109.506 171.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 25.6 p -110.58 137.92 47.64 Favored 'General case' 0 N--CA 1.437 -1.092 0 N-CA-C 106.499 -1.667 . . . . 0.87 106.499 156.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.492 ' CD1' HG22 ' A' ' 15' ' ' VAL . 20.3 p90 -131.4 164.92 24.63 Favored 'General case' 0 N--CA 1.443 -0.802 0 N-CA-C 105.475 -2.046 . . . . 1.8500000000000001 105.475 176.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -105.02 149.76 25.52 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 123.728 0.811 . . . . 1.3500000000000001 110.258 -176.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -131.4 105.96 7.94 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 107.161 -1.422 . . . . 2.0299999999999998 107.161 167.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 44.82 40.97 4.7 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.245 1.418 . . . . 2.3900000000000001 113.76 176.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 108.36 -30.73 8.55 Favored Glycine 0 CA--C 1.527 0.784 0 CA-C-O 119.055 -0.858 . . . . 1.4199999999999999 112.966 172.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.7 pttm -86.39 155.1 20.73 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 118.939 1.37 . . . . 1.9099999999999999 108.438 174.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.47 -167.52 1.51 Allowed 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 109.468 -0.567 . . . . 1.6399999999999999 109.468 177.579 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 171.98 159.13 17.64 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 105.564 -3.014 . . . . 1.01 105.564 -179.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 39.4 ttt180 -115.91 132.33 56.68 Favored 'General case' 0 CA--C 1.52 -0.208 0 C-N-CA 125.786 1.635 . . . . 2.6400000000000001 107.075 -177.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -122.32 163.1 15.85 Favored Glycine 0 N--CA 1.45 -0.418 0 N-CA-C 108.05 -2.02 . . . . 0.48999999999999999 108.05 172.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -164.42 157.98 17.97 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 109.83 -0.433 . . . . 0.55000000000000004 109.83 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.0 t -150.61 160.92 4.03 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 C-N-CA 124.997 1.319 . . . . 0.66000000000000003 108.366 176.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.2 m -99.15 138.11 36.71 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.924 0.889 . . . . 1.6000000000000001 109.259 163.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -39.1 -48.99 1.76 Allowed 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 126.68 1.992 . . . . 2.3500000000000001 113.002 -175.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -51.48 -28.99 14.9 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.784 1.233 . . . . 2.0 112.578 -175.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -126.3 29.16 5.86 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 124.27 1.028 . . . . 1.3600000000000001 111.724 -178.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.06 94.6 6.79 Favored Pre-proline 0 CA--C 1.539 0.535 0 C-N-CA 125.489 1.516 . . . . 0.77000000000000002 111.045 175.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -57.61 153.75 40.57 Favored 'Trans proline' 0 N--CA 1.45 -1.05 0 C-N-CA 124.323 3.349 . . . . 2.2200000000000002 115.108 176.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -43.74 -52.58 6.47 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 116.316 1.969 . . . . 2.8700000000000001 116.316 -166.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -60.24 -38.48 83.58 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 123.467 2.849 . . . . 3.0099999999999998 112.106 -175.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 60.7 tp -61.46 -44.34 97.28 Favored 'General case' 0 CA--C 1.513 -0.471 0 N-CA-C 107.861 -1.163 . . . . 1.28 107.861 179.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 59' ' ' ALA . 82.1 mt -58.77 -48.34 81.59 Favored 'General case' 0 N--CA 1.435 -1.223 0 CA-C-O 117.37 -1.3 . . . . 1.23 110.184 174.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.64 -47.32 73.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 120.649 1.568 . . . . 1.52 110.267 -174.02 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 3.0 mmm -63.51 -52.86 59.42 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 121.624 0.726 . . . . 1.3100000000000001 110.347 177.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -60.52 -19.26 56.51 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.441 -0.787 . . . . 1.1699999999999999 112.293 174.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 55' ' ' LEU . . . -79.34 -47.95 14.92 Favored 'General case' 0 CA--C 1.505 -0.775 0 O-C-N 120.425 -1.422 . . . . 0.97999999999999998 108.564 -162.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -55.16 -46.19 75.74 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 119.713 -0.795 . . . . 2.6400000000000001 109.662 173.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.49 -57.3 12.92 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 115.768 -0.651 . . . . 1.6000000000000001 111.206 178.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -62.05 -47.88 82.75 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 124.469 1.108 . . . . 1.8600000000000001 111.219 -175.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -60.29 -48.07 83.3 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 118.385 0.539 . . . . 2.27 110.075 178.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -55.05 -50.26 69.54 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 122.914 0.486 . . . . 3.1699999999999999 110.541 177.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -62.24 -47.34 84.83 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 122.419 0.287 . . . . 2.9199999999999999 110.966 179.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt . . . . . 0 N--CA 1.454 -0.236 0 C-N-CA 124.856 1.262 . . . . 3.73 108.621 -179.672 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 ptp . . . . . 0 CA--C 1.528 0.126 0 CA-C-O 120.36 0.124 . . . . 5.28 110.969 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.525 HG22 ' HB2' ' A' ' 53' ' ' GLU . 0.3 OUTLIER -135.1 24.14 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-O 122.315 1.055 . . . . 3.1 112.272 -148.779 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 13.7 pttt -69.87 167.54 17.1 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 105.85 -1.908 . . . . 1.92 105.85 148.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 70.5 t -90.16 107.23 18.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 N-CA-C 108.458 -0.941 . . . . 0.7 108.458 -166.257 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 58.6 mtmt -78.66 135.9 37.32 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 108.938 -0.764 . . . . 1.53 108.938 169.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -165.92 -149.51 0.11 Allowed 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.5 1.92 . . . . 0.66 108.214 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.7 pttm -141.29 135.05 30.22 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 125.73 1.612 . . . . 1.64 109.419 -175.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -167.86 169.15 11.73 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.393 1.477 . . . . 1.0 107.892 177.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . 0.271 0.7 OUTLIER 46.49 29.68 0.95 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.095 1.358 . . . . 1.57 113.241 -178.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 63.09 33.55 87.55 Favored Glycine 0 CA--C 1.531 1.045 0 C-N-CA 123.774 0.702 . . . . 1.28 112.995 -178.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -152.09 -179.13 7.23 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 118.655 1.227 . . . . 3.42 108.321 174.191 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.9 tm-20 -70.95 148.14 48.0 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 106.572 -1.64 . . . . 1.51 106.572 168.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -139.61 138.06 35.84 Favored 'General case' 0 N--CA 1.441 -0.887 0 C-N-CA 123.02 0.528 . . . . 1.56 109.975 -178.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -118.26 128.08 54.33 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 104.85 -2.278 . . . . 1.53 104.85 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.557 HG21 ' CD1' ' A' ' 34' ' ' TYR . 0.8 OUTLIER -128.01 136.26 60.71 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-N 119.554 1.07 . . . . 0.82 112.49 178.658 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -90.05 150.69 21.98 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.092 -0.706 . . . . 1.81 109.092 176.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -48.56 -37.14 17.07 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 125.487 1.515 . . . . 2.0 113.92 175.018 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.0 p -48.07 -32.08 6.3 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 118.183 0.447 . . . . 1.56 110.703 176.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -96.96 -10.5 26.16 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 114.554 1.316 . . . . 1.76 114.554 -178.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 9.4 mt -78.11 134.19 28.78 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-N 121.841 2.11 . . . . 0.63 111.53 -171.09 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -104.46 -40.71 5.96 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.593 1.557 . . . . 1.91 110.696 -167.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.9 tmtt? -161.86 152.49 17.56 Favored 'General case' 0 N--CA 1.462 0.149 0 N-CA-C 107.578 -1.267 . . . . 1.91 107.578 -179.045 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.4 p -141.56 140.54 31.05 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 N-CA-C 107.991 -1.115 . . . . 0.4 107.991 165.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 12.9 p90 -156.92 173.21 17.35 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.609 1.564 . . . . 0.52 107.51 -179.041 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.5 mmt85 -93.29 113.68 25.94 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 123.425 0.69 . . . . 2.22 109.438 171.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.0 p -78.32 73.12 0.57 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 N-CA-C 107.632 -1.247 . . . . 0.63 107.632 163.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.62 -90.4 0.07 OUTLIER Glycine 0 CA--C 1.527 0.824 0 CA-C-N 115.691 -0.686 . . . . 1.11 111.438 178.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -79.15 -42.79 25.35 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.79 1.236 . . . . 3.79 111.031 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 40.2 mtp -105.12 151.98 23.35 Favored 'General case' 0 C--N 1.339 0.131 0 CA-C-O 120.988 0.423 . . . . 0.54 111.618 -164.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 55.8 t -78.49 122.98 34.67 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.561 0 N-CA-C 105.061 -2.199 . . . . 0.43 105.061 171.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.9 p -119.34 135.05 54.9 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 126.123 1.769 . . . . 0.46 107.667 -177.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -136.29 161.87 34.59 Favored 'General case' 0 CA--C 1.507 -0.685 0 CA-C-N 119.065 0.848 . . . . 0.55 109.506 171.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 25.6 p -110.58 137.92 47.64 Favored 'General case' 0 N--CA 1.437 -1.092 0 N-CA-C 106.499 -1.667 . . . . 0.35 106.499 156.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.557 ' CD1' HG21 ' A' ' 15' ' ' VAL . 20.3 p90 -131.4 164.92 24.63 Favored 'General case' 0 N--CA 1.443 -0.802 0 N-CA-C 105.475 -2.046 . . . . 1.08 105.475 176.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -105.02 149.76 25.52 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 123.728 0.811 . . . . 1.35 110.258 -176.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -131.4 105.96 7.94 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 107.161 -1.422 . . . . 2.03 107.161 167.402 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 44.82 40.97 4.7 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.245 1.418 . . . . 2.35 113.76 176.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 108.36 -30.73 8.55 Favored Glycine 0 CA--C 1.527 0.784 0 CA-C-O 119.055 -0.858 . . . . 1.13 112.966 172.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.7 pttm -86.39 155.1 20.73 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 118.939 1.37 . . . . 1.65 108.438 174.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.47 -167.52 1.51 Allowed 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 109.468 -0.567 . . . . 1.23 109.468 177.579 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 171.98 159.13 17.64 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 105.564 -3.014 . . . . 0.58 105.564 -179.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 39.4 ttt180 -115.91 132.33 56.68 Favored 'General case' 0 CA--C 1.52 -0.208 0 C-N-CA 125.786 1.635 . . . . 2.01 107.075 -177.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -122.32 163.1 15.85 Favored Glycine 0 N--CA 1.45 -0.418 0 N-CA-C 108.05 -2.02 . . . . 0.45 108.05 172.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -164.42 157.98 17.97 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 109.83 -0.433 . . . . 0.53 109.83 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.0 t -150.61 160.92 4.03 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 C-N-CA 124.997 1.319 . . . . 0.57 108.366 176.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.2 m -99.15 138.11 36.71 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.924 0.889 . . . . 1.23 109.259 163.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -39.1 -48.99 1.76 Allowed 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 126.68 1.992 . . . . 2.35 113.002 -175.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -51.48 -28.99 14.9 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.784 1.233 . . . . 1.48 112.578 -175.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -126.3 29.16 5.86 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 124.27 1.028 . . . . 1.36 111.724 -178.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.06 94.6 6.79 Favored Pre-proline 0 CA--C 1.539 0.535 0 C-N-CA 125.489 1.516 . . . . 0.74 111.045 175.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -57.61 153.75 40.57 Favored 'Trans proline' 0 N--CA 1.45 -1.05 0 C-N-CA 124.323 3.349 . . . . 1.81 115.108 176.005 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -43.74 -52.58 6.47 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 116.316 1.969 . . . . 2.51 116.316 -166.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.525 ' HB2' HG22 ' A' ' 2' ' ' VAL . 14.0 tm-20 -60.24 -38.48 83.58 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 123.467 2.849 . . . . 3.01 112.106 -175.199 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 60.7 tp -61.46 -44.34 97.28 Favored 'General case' 0 CA--C 1.513 -0.471 0 N-CA-C 107.861 -1.163 . . . . 0.92 107.861 179.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 59' ' ' ALA . 82.1 mt -58.77 -48.34 81.59 Favored 'General case' 0 N--CA 1.435 -1.223 0 CA-C-O 117.37 -1.3 . . . . 0.82 110.184 174.607 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.64 -47.32 73.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 120.649 1.568 . . . . 1.52 110.267 -174.02 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 3.0 mmm -63.51 -52.86 59.42 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 121.624 0.726 . . . . 0.88 110.347 177.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -60.52 -19.26 56.51 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.441 -0.787 . . . . 0.66 112.293 174.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 55' ' ' LEU . . . -79.34 -47.95 14.92 Favored 'General case' 0 CA--C 1.505 -0.775 0 O-C-N 120.425 -1.422 . . . . 0.98 108.564 -162.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -55.16 -46.19 75.74 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 119.713 -0.795 . . . . 2.24 109.662 173.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.49 -57.3 12.92 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 115.768 -0.651 . . . . 1.6 111.206 178.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -62.05 -47.88 82.75 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 124.469 1.108 . . . . 1.86 111.219 -175.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -60.29 -48.07 83.3 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 118.385 0.539 . . . . 2.27 110.075 178.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -55.05 -50.26 69.54 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 122.914 0.486 . . . . 3.17 110.541 177.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -62.24 -47.34 84.83 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 122.419 0.287 . . . . 2.92 110.966 179.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt . . . . . 0 N--CA 1.454 -0.236 0 C-N-CA 124.856 1.262 . . . . 3.48 108.621 -179.672 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 ptp . . . . . 0 CA--C 1.528 0.126 0 CA-C-O 120.36 0.124 . . . . 5.28 110.969 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.525 HG22 ' HB2' ' A' ' 53' ' ' GLU . 0.3 OUTLIER -135.1 24.14 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-O 122.315 1.055 . . . . 3.1 112.272 -148.779 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 13.7 pttt -69.87 167.54 17.1 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 105.85 -1.908 . . . . 1.92 105.85 148.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 70.5 t -90.16 107.23 18.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 N-CA-C 108.458 -0.941 . . . . 0.7 108.458 -166.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 58.6 mtmt -78.66 135.9 37.32 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 108.938 -0.764 . . . . 1.53 108.938 169.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -165.92 -149.51 0.11 Allowed 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.5 1.92 . . . . 0.66 108.214 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.7 pttm -141.29 135.05 30.22 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 125.73 1.612 . . . . 1.64 109.419 -175.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -167.86 169.15 11.73 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.393 1.477 . . . . 1.0 107.892 177.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . 0.271 0.7 OUTLIER 46.49 29.68 0.95 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.095 1.358 . . . . 1.57 113.241 -178.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 63.09 33.55 87.55 Favored Glycine 0 CA--C 1.531 1.045 0 C-N-CA 123.774 0.702 . . . . 1.28 112.995 -178.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -152.09 -179.13 7.23 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 118.655 1.227 . . . . 3.42 108.321 174.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.9 tm-20 -70.95 148.14 48.0 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 106.572 -1.64 . . . . 1.51 106.572 168.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -139.61 138.06 35.84 Favored 'General case' 0 N--CA 1.441 -0.887 0 C-N-CA 123.02 0.528 . . . . 1.56 109.975 -178.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -118.26 128.08 54.33 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 104.85 -2.278 . . . . 1.53 104.85 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.557 HG21 ' CD1' ' A' ' 34' ' ' TYR . 0.8 OUTLIER -128.01 136.26 60.71 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-N 119.554 1.07 . . . . 0.82 112.49 178.658 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -90.05 150.69 21.98 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.092 -0.706 . . . . 1.81 109.092 176.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -48.56 -37.14 17.07 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 125.487 1.515 . . . . 2.0 113.92 175.018 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.0 p -48.07 -32.08 6.3 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 118.183 0.447 . . . . 1.56 110.703 176.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -96.96 -10.5 26.16 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 114.554 1.316 . . . . 1.76 114.554 -178.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 9.4 mt -78.11 134.19 28.78 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-N 121.841 2.11 . . . . 0.63 111.53 -171.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -104.46 -40.71 5.96 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.593 1.557 . . . . 1.91 110.696 -167.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.9 tmtt? -161.86 152.49 17.56 Favored 'General case' 0 N--CA 1.462 0.149 0 N-CA-C 107.578 -1.267 . . . . 1.91 107.578 -179.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.4 p -141.56 140.54 31.05 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 N-CA-C 107.991 -1.115 . . . . 0.4 107.991 165.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 12.9 p90 -156.92 173.21 17.35 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.609 1.564 . . . . 0.52 107.51 -179.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.5 mmt85 -93.29 113.68 25.94 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 123.425 0.69 . . . . 2.22 109.438 171.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.0 p -78.32 73.12 0.57 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 N-CA-C 107.632 -1.247 . . . . 0.63 107.632 163.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.62 -90.4 0.07 OUTLIER Glycine 0 CA--C 1.527 0.824 0 CA-C-N 115.691 -0.686 . . . . 1.11 111.438 178.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -79.15 -42.79 25.35 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.79 1.236 . . . . 3.79 111.031 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 40.2 mtp -105.12 151.98 23.35 Favored 'General case' 0 C--N 1.339 0.131 0 CA-C-O 120.988 0.423 . . . . 0.54 111.618 -164.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 55.8 t -78.49 122.98 34.67 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.561 0 N-CA-C 105.061 -2.199 . . . . 0.43 105.061 171.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.9 p -119.34 135.05 54.9 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 126.123 1.769 . . . . 0.46 107.667 -177.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -136.29 161.87 34.59 Favored 'General case' 0 CA--C 1.507 -0.685 0 CA-C-N 119.065 0.848 . . . . 0.55 109.506 171.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 25.6 p -110.58 137.92 47.64 Favored 'General case' 0 N--CA 1.437 -1.092 0 N-CA-C 106.499 -1.667 . . . . 0.35 106.499 156.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.557 ' CD1' HG21 ' A' ' 15' ' ' VAL . 20.3 p90 -131.4 164.92 24.63 Favored 'General case' 0 N--CA 1.443 -0.802 0 N-CA-C 105.475 -2.046 . . . . 1.08 105.475 176.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -105.02 149.76 25.52 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 123.728 0.811 . . . . 1.35 110.258 -176.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -131.4 105.96 7.94 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 107.161 -1.422 . . . . 2.03 107.161 167.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 44.82 40.97 4.7 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.245 1.418 . . . . 2.35 113.76 176.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 108.36 -30.73 8.55 Favored Glycine 0 CA--C 1.527 0.784 0 CA-C-O 119.055 -0.858 . . . . 1.13 112.966 172.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.7 pttm -86.39 155.1 20.73 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 118.939 1.37 . . . . 1.65 108.438 174.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.47 -167.52 1.51 Allowed 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 109.468 -0.567 . . . . 1.23 109.468 177.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 171.98 159.13 17.64 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 105.564 -3.014 . . . . 0.58 105.564 -179.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 39.4 ttt180 -115.91 132.33 56.68 Favored 'General case' 0 CA--C 1.52 -0.208 0 C-N-CA 125.786 1.635 . . . . 2.01 107.075 -177.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -122.32 163.1 15.85 Favored Glycine 0 N--CA 1.45 -0.418 0 N-CA-C 108.05 -2.02 . . . . 0.45 108.05 172.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -164.42 157.98 17.97 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 109.83 -0.433 . . . . 0.53 109.83 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.0 t -150.61 160.92 4.03 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 C-N-CA 124.997 1.319 . . . . 0.57 108.366 176.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.2 m -99.15 138.11 36.71 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.924 0.889 . . . . 1.23 109.259 163.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -39.1 -48.99 1.76 Allowed 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 126.68 1.992 . . . . 2.35 113.002 -175.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -51.48 -28.99 14.9 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.784 1.233 . . . . 1.48 112.578 -175.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -126.3 29.16 5.86 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 124.27 1.028 . . . . 1.36 111.724 -178.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.06 94.6 6.79 Favored Pre-proline 0 CA--C 1.539 0.535 0 C-N-CA 125.489 1.516 . . . . 0.74 111.045 175.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -57.61 153.75 40.57 Favored 'Trans proline' 0 N--CA 1.45 -1.05 0 C-N-CA 124.323 3.349 . . . . 1.81 115.108 176.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -43.74 -52.58 6.47 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 116.316 1.969 . . . . 2.51 116.316 -166.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.525 ' HB2' HG22 ' A' ' 2' ' ' VAL . 14.0 tm-20 -60.24 -38.48 83.58 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 123.467 2.849 . . . . 3.01 112.106 -175.199 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 60.7 tp -61.46 -44.34 97.28 Favored 'General case' 0 CA--C 1.513 -0.471 0 N-CA-C 107.861 -1.163 . . . . 0.92 107.861 179.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 59' ' ' ALA . 82.1 mt -58.77 -48.34 81.59 Favored 'General case' 0 N--CA 1.435 -1.223 0 CA-C-O 117.37 -1.3 . . . . 0.82 110.184 174.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.64 -47.32 73.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 120.649 1.568 . . . . 1.52 110.267 -174.02 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 3.0 mmm -63.51 -52.86 59.42 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 121.624 0.726 . . . . 0.88 110.347 177.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -60.52 -19.26 56.51 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.441 -0.787 . . . . 0.66 112.293 174.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 55' ' ' LEU . . . -79.34 -47.95 14.92 Favored 'General case' 0 CA--C 1.505 -0.775 0 O-C-N 120.425 -1.422 . . . . 0.98 108.564 -162.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -55.16 -46.19 75.74 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 119.713 -0.795 . . . . 2.24 109.662 173.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.49 -57.3 12.92 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 115.768 -0.651 . . . . 1.6 111.206 178.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -62.05 -47.88 82.75 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 124.469 1.108 . . . . 1.86 111.219 -175.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -60.29 -48.07 83.3 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 118.385 0.539 . . . . 2.27 110.075 178.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -55.05 -50.26 69.54 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 122.914 0.486 . . . . 3.17 110.541 177.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -62.24 -47.34 84.83 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 122.419 0.287 . . . . 2.92 110.966 179.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt . . . . . 0 N--CA 1.454 -0.236 0 C-N-CA 124.856 1.262 . . . . 3.48 108.621 -179.672 . . . . . . . . 0 0 . 1 stop_ save_