data_1bqx_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 1bqx _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' ' ' ALA . . . . . 0.448 ' H3 ' ' CG ' ' A' ' 41' ' ' ASP . . . . . . . . 0 N--CA 1.467 0.412 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -101.56 138.56 38.4 Favored 'General case' 0 CA--C 1.521 -0.135 0 C-N-CA 124.736 1.214 . . . . 0.0 109.796 -177.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.2 t -138.36 143.82 31.82 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 C-N-CA 123.279 0.632 . . . . 0.0 111.705 -172.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.1 pp -66.48 172.35 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 C-N-CA 126.122 1.769 . . . . 0.0 110.314 171.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.0 p -143.92 -97.71 0.11 Allowed 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 174.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.47 ' C ' ' H ' ' A' ' 8' ' ' CYS 0.257 7.6 tt0 -127.18 -52.54 0.03 OUTLIER Pre-proline 0 CA--C 1.537 0.445 0 CA-C-O 117.279 -1.343 . . . . 0.0 114.03 -166.927 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -70.37 31.35 0.2 Allowed 'Trans proline' 0 CA--C 1.544 0.983 0 C-N-CA 122.702 2.268 . . . . 0.0 113.894 171.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.47 ' H ' ' C ' ' A' ' 6' ' ' GLU . 1.4 t -115.64 -30.57 6.12 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 129.032 2.933 . . . . 0.0 110.73 174.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.4 mp -58.26 134.41 23.03 Favored 'Isoleucine or valine' 0 C--N 1.342 0.244 0 C-N-CA 123.656 0.782 . . . . 0.0 109.174 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.96 64.93 0.02 OUTLIER Glycine 0 CA--C 1.526 0.758 0 N-CA-C 112.353 -0.299 . . . . 0.0 112.353 -169.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.8 m 15.48 84.85 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 129.208 3.003 . . . . 0.0 116.602 169.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.7 tppt? 75.99 58.38 0.05 Allowed 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 128.443 2.697 . . . . 0.0 112.494 169.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 50.5 t -63.55 155.12 30.46 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 168.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -148.46 95.82 2.5 Favored 'General case' 0 N--CA 1.456 -0.131 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 174.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 72.6 m -155.84 -57.44 0.09 Allowed 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.954 0.902 . . . . 0.0 109.034 174.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.2 p -73.41 61.0 0.65 Allowed 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.704 0.801 . . . . 0.0 110.153 174.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 41.7 t -126.74 -92.22 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 C-N-CA 124.33 1.052 . . . . 0.0 108.768 -178.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.8 pm0 -75.69 32.18 0.11 Allowed 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 -169.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 12.8 p -117.21 -32.98 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 C-N-CA 125.626 1.57 . . . . 0.0 110.959 -179.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 50.2 t -66.31 123.44 85.42 Favored Pre-proline 0 CA--C 1.539 0.538 0 CA-C-N 118.912 0.778 . . . . 0.0 110.987 -170.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -45.03 -36.51 11.57 Favored 'Trans proline' 0 N--CA 1.454 -0.813 1 C-N-CA 125.301 4.001 . . . . 0.0 114.372 177.106 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -125.84 27.24 2.57 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 C-N-CA 123.394 0.678 . . . . 0.0 111.918 -171.426 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.7 t70 36.71 61.96 0.8 Allowed 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.23 1.412 . . . . 0.0 113.184 173.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 16.7 p -118.85 33.37 5.68 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 123.043 0.537 . . . . 0.0 110.752 -178.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.1 pp -111.16 116.28 52.09 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 C-N-CA 126.995 2.118 . . . . 0.0 107.866 176.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -128.33 146.66 50.7 Favored 'General case' 0 C--O 1.216 -0.674 0 C-N-CA 125.524 1.53 . . . . 0.0 109.851 -169.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 75.9 mt-10 -84.81 140.66 31.04 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 120.071 1.305 . . . . 0.0 112.907 177.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -106.51 43.48 1.67 Allowed Glycine 0 CA--C 1.532 1.108 0 N-CA-C 105.59 -3.004 . . . . 0.0 105.59 166.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 65.24 -61.84 0.22 Allowed 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 130.408 3.483 . . . . 0.0 111.115 -171.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -77.78 -34.3 52.34 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 124.502 1.121 . . . . 0.0 112.236 -171.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -149.0 158.27 44.05 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 -167.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -77.13 155.96 31.99 Favored 'General case' 0 N--CA 1.448 -0.532 0 O-C-N 123.491 0.495 . . . . 0.0 110.339 172.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -135.67 119.27 17.04 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 129.719 3.208 . . . . 0.0 105.59 -175.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 58.8 mt -88.96 131.1 37.15 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.722 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 178.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.41 ' CG ' ' HZ2' ' A' ' 76' ' ' LYS . 36.5 t0 -76.01 111.19 13.63 Favored Pre-proline 0 C--O 1.234 0.259 0 N-CA-C 107.084 -1.451 . . . . 0.0 107.084 168.625 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -61.83 -31.01 85.16 Favored 'Trans proline' 0 N--CA 1.446 -1.292 0 CA-C-N 120.394 1.176 . . . . 0.0 110.56 177.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -79.63 -18.91 50.43 Favored 'General case' 0 N--CA 1.446 -0.633 0 O-C-N 121.619 -0.676 . . . . 0.0 110.318 -172.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 39.5 t -96.35 -33.49 4.64 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 CA-C-N 118.422 0.555 . . . . 0.0 111.313 171.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 12.8 t -55.66 128.25 33.8 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 119.286 0.948 . . . . 0.0 111.285 177.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 18.6 pt -90.99 38.6 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 C-N-CA 123.762 0.825 . . . . 0.0 111.854 -176.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.448 ' CG ' ' H3 ' ' A' ' 1' ' ' ALA . 2.8 m-20 44.88 57.12 4.81 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.967 1.307 . . . . 0.0 112.168 178.158 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.54 -167.51 1.48 Allowed 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.278 0.631 . . . . 0.0 109.541 171.086 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -142.69 23.39 2.32 Favored Glycine 0 CA--C 1.53 1.024 0 CA-C-N 119.081 0.855 . . . . 0.0 113.344 -178.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -77.57 -54.5 6.32 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 117.66 0.73 . . . . 0.0 111.023 -176.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 24.9 p -52.72 -45.95 67.16 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.174 0.989 . . . . 0.0 111.737 -176.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -55.81 -52.51 63.74 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 119.151 0.887 . . . . 0.0 110.915 173.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.68 -33.33 68.25 Favored 'General case' 0 CA--C 1.533 0.289 0 O-C-N 121.795 -0.566 . . . . 0.0 111.027 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.9 t -77.55 -35.83 22.32 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 CA-C-O 118.464 -0.779 . . . . 0.0 112.382 177.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.4 ' C ' ' H ' ' A' ' 51' ' ' VAL . 48.2 t -60.85 112.76 6.19 Favored Pre-proline 0 CA--C 1.536 0.418 0 CA-C-N 119.814 1.188 . . . . 0.0 108.662 178.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -75.15 26.02 0.38 Allowed 'Trans proline' 0 CA--C 1.537 0.656 0 C-N-CA 123.276 2.651 . . . . 0.0 113.062 -169.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.4 ' H ' ' C ' ' A' ' 49' ' ' CYS . 0.7 OUTLIER -129.29 -29.22 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 C-N-CA 126.543 1.937 . . . . 0.0 109.733 -177.092 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.4 m 63.12 98.48 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.095 1.758 . . . . 0.0 110.062 -168.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -154.43 -21.37 0.13 Allowed 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 -172.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 15.9 mt -80.38 115.65 23.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 N-CA-C 107.267 -1.382 . . . . 0.0 107.267 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -124.75 167.21 14.9 Favored 'General case' 0 CA--C 1.509 -0.598 0 O-C-N 121.814 -0.554 . . . . 0.0 109.831 -179.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 9.0 t-80 -59.78 144.0 49.53 Favored 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 177.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -51.58 -40.32 59.57 Favored 'General case' 0 N--CA 1.44 -0.928 0 N-CA-C 112.87 0.693 . . . . 0.0 112.87 178.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -60.5 -40.48 91.52 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.341 173.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 10.4 m-30 -78.28 -35.05 48.49 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 123.682 0.793 . . . . 0.0 110.737 -168.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 40.7 t -53.19 124.45 38.57 Favored Pre-proline 0 CA--C 1.543 0.704 0 CA-C-O 118.378 -0.82 . . . . 0.0 109.822 177.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -54.22 146.18 51.09 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.334 2.689 . . . . 0.0 112.771 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.401 ' HA ' ' CG ' ' A' ' 65' ' ' LYS . 5.5 mp0 -41.16 -45.17 2.73 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 129.521 3.129 . . . . 0.0 113.922 175.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -47.89 -43.88 29.06 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 121.886 0.85 . . . . 0.0 110.827 172.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 51.3 m0 -100.23 -4.51 29.29 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 126.138 1.775 . . . . 0.0 113.059 -175.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.401 ' CG ' ' HA ' ' A' ' 62' ' ' GLU . 29.8 mmtm -54.99 -28.94 55.71 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 120.614 1.552 . . . . 0.0 108.843 169.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.2 m -44.63 -45.14 9.45 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.74 1.216 . . . . 0.0 111.57 168.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -67.26 -33.51 75.48 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 118.147 -0.93 . . . . 0.0 111.777 177.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.3 mp -63.71 -46.98 93.12 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 CA-C-N 120.471 1.487 . . . . 0.0 107.016 178.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.7 tp60 -55.31 -47.11 76.08 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.043 174.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.5 tptp -63.36 -45.48 90.96 Favored 'General case' 0 C--O 1.234 0.26 0 O-C-N 121.847 -0.533 . . . . 0.0 112.031 -177.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -59.07 -43.12 91.71 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.942 1.297 . . . . 0.0 110.972 176.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.6 ttm180 -56.2 -59.44 4.93 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 174.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -59.18 -41.5 88.6 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 128.213 2.605 . . . . 0.0 112.738 -170.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -37.95 -52.19 1.36 Allowed 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 124.658 1.183 . . . . 0.0 111.974 178.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -103.5 -21.28 13.8 Favored 'General case' 0 N--CA 1.455 -0.224 0 O-C-N 123.84 0.712 . . . . 0.0 111.384 -170.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.41 ' HZ2' ' CG ' ' A' ' 35' ' ' ASP . 0.0 OUTLIER -80.89 75.23 7.84 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 170.013 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.252 1.202 0 CA-C-O 116.354 -1.784 . . . . 0.0 107.661 -170.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SF4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SF4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.423 ' N ' ' OD1' ' A' ' 41' ' ' ASP . . . . . . . . 0 N--CA 1.467 0.412 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -101.56 138.56 38.4 Favored 'General case' 0 CA--C 1.521 -0.135 0 C-N-CA 124.736 1.214 . . . . 0.0 109.796 -177.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.2 t -138.36 143.82 31.82 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 C-N-CA 123.279 0.632 . . . . 0.0 111.705 -172.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.401 HD13 HE22 ' A' ' 31' ' ' GLN . 2.1 pp -66.48 172.35 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 C-N-CA 126.122 1.769 . . . . 0.0 110.314 171.644 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.0 p -143.92 -97.71 0.11 Allowed 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 174.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.444 ' C ' ' H ' ' A' ' 8' ' ' CYS 0.257 7.6 tt0 -127.18 -52.54 0.03 OUTLIER Pre-proline 0 CA--C 1.537 0.445 0 CA-C-O 117.279 -1.343 . . . . 0.0 114.03 -166.927 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -70.37 31.35 0.2 Allowed 'Trans proline' 0 CA--C 1.544 0.983 0 C-N-CA 122.702 2.268 . . . . 0.0 113.894 171.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.444 ' H ' ' C ' ' A' ' 6' ' ' GLU . 1.4 t -115.64 -30.57 6.12 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 129.032 2.933 . . . . 0.0 110.73 174.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.4 mp -58.26 134.41 23.03 Favored 'Isoleucine or valine' 0 C--N 1.342 0.244 0 C-N-CA 123.656 0.782 . . . . 0.0 109.174 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.96 64.93 0.02 OUTLIER Glycine 0 CA--C 1.526 0.758 0 N-CA-C 112.353 -0.299 . . . . 0.0 112.353 -169.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.8 m 15.48 84.85 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 129.208 3.003 . . . . 0.0 116.602 169.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.7 tppt? 75.99 58.38 0.05 Allowed 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 128.443 2.697 . . . . 0.0 112.494 169.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 50.5 t -63.55 155.12 30.46 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 168.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -148.46 95.82 2.5 Favored 'General case' 0 N--CA 1.456 -0.131 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 174.247 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 72.6 m -155.84 -57.44 0.09 Allowed 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.954 0.902 . . . . 0.0 109.034 174.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.2 p -73.41 61.0 0.65 Allowed 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.704 0.801 . . . . 0.0 110.153 174.306 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 41.7 t -126.74 -92.22 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 C-N-CA 124.33 1.052 . . . . 0.0 108.768 -178.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.8 pm0 -75.69 32.18 0.11 Allowed 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 -169.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 12.8 p -117.21 -32.98 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 C-N-CA 125.626 1.57 . . . . 0.0 110.959 -179.001 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 50.2 t -66.31 123.44 85.42 Favored Pre-proline 0 CA--C 1.539 0.538 0 CA-C-N 118.912 0.778 . . . . 0.0 110.987 -170.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -45.03 -36.51 11.57 Favored 'Trans proline' 0 N--CA 1.454 -0.813 1 C-N-CA 125.301 4.001 . . . . 0.0 114.372 177.106 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -125.84 27.24 2.57 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 C-N-CA 123.394 0.678 . . . . 0.0 111.918 -171.426 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.7 t70 36.71 61.96 0.8 Allowed 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.23 1.412 . . . . 0.0 113.184 173.223 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 16.7 p -118.85 33.37 5.68 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 123.043 0.537 . . . . 0.0 110.752 -178.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.1 pp -111.16 116.28 52.09 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 C-N-CA 126.995 2.118 . . . . 0.0 107.866 176.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -128.33 146.66 50.7 Favored 'General case' 0 C--O 1.216 -0.674 0 C-N-CA 125.524 1.53 . . . . 0.0 109.851 -169.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 75.9 mt-10 -84.81 140.66 31.04 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 120.071 1.305 . . . . 0.0 112.907 177.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -106.51 43.48 1.67 Allowed Glycine 0 CA--C 1.532 1.108 0 N-CA-C 105.59 -3.004 . . . . 0.0 105.59 166.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.413 ' HA ' ' OE1' ' A' ' 29' ' ' GLU . 0.0 OUTLIER 65.24 -61.84 0.22 Allowed 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 130.408 3.483 . . . . 0.0 111.115 -171.924 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -77.78 -34.3 52.34 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 124.502 1.121 . . . . 0.0 112.236 -171.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.401 HE22 HD13 ' A' ' 4' ' ' ILE . 0.0 OUTLIER -149.0 158.27 44.05 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 -167.84 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -77.13 155.96 31.99 Favored 'General case' 0 N--CA 1.448 -0.532 0 O-C-N 123.491 0.495 . . . . 0.0 110.339 172.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -135.67 119.27 17.04 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 129.719 3.208 . . . . 0.0 105.59 -175.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 58.8 mt -88.96 131.1 37.15 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.722 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 178.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -76.01 111.19 13.63 Favored Pre-proline 0 C--O 1.234 0.259 0 N-CA-C 107.084 -1.451 . . . . 0.0 107.084 168.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -61.83 -31.01 85.16 Favored 'Trans proline' 0 N--CA 1.446 -1.292 0 CA-C-N 120.394 1.176 . . . . 0.0 110.56 177.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -79.63 -18.91 50.43 Favored 'General case' 0 N--CA 1.446 -0.633 0 O-C-N 121.619 -0.676 . . . . 0.0 110.318 -172.03 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 39.5 t -96.35 -33.49 4.64 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 CA-C-N 118.422 0.555 . . . . 0.0 111.313 171.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 12.8 t -55.66 128.25 33.8 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 119.286 0.948 . . . . 0.0 111.285 177.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 18.6 pt -90.99 38.6 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 C-N-CA 123.762 0.825 . . . . 0.0 111.854 -176.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.423 ' OD1' ' N ' ' A' ' 1' ' ' ALA . 2.8 m-20 44.88 57.12 4.81 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.967 1.307 . . . . 0.0 112.168 178.158 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.54 -167.51 1.48 Allowed 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.278 0.631 . . . . 0.0 109.541 171.086 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -142.69 23.39 2.32 Favored Glycine 0 CA--C 1.53 1.024 0 CA-C-N 119.081 0.855 . . . . 0.0 113.344 -178.363 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -77.57 -54.5 6.32 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 117.66 0.73 . . . . 0.0 111.023 -176.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 24.9 p -52.72 -45.95 67.16 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.174 0.989 . . . . 0.0 111.737 -176.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -55.81 -52.51 63.74 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 119.151 0.887 . . . . 0.0 110.915 173.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.68 -33.33 68.25 Favored 'General case' 0 CA--C 1.533 0.289 0 O-C-N 121.795 -0.566 . . . . 0.0 111.027 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.9 t -77.55 -35.83 22.32 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 CA-C-O 118.464 -0.779 . . . . 0.0 112.382 177.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 48.2 t -60.85 112.76 6.19 Favored Pre-proline 0 CA--C 1.536 0.418 0 CA-C-N 119.814 1.188 . . . . 0.0 108.662 178.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -75.15 26.02 0.38 Allowed 'Trans proline' 0 CA--C 1.537 0.656 0 C-N-CA 123.276 2.651 . . . . 0.0 113.062 -169.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -129.29 -29.22 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 C-N-CA 126.543 1.937 . . . . 0.0 109.733 -177.092 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.4 m 63.12 98.48 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.095 1.758 . . . . 0.0 110.062 -168.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -154.43 -21.37 0.13 Allowed 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 -172.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 15.9 mt -80.38 115.65 23.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 N-CA-C 107.267 -1.382 . . . . 0.0 107.267 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -124.75 167.21 14.9 Favored 'General case' 0 CA--C 1.509 -0.598 0 O-C-N 121.814 -0.554 . . . . 0.0 109.831 -179.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.42 ' NE2' ' N ' ' A' ' 1' ' ' ALA . 9.0 t-80 -59.78 144.0 49.53 Favored 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 177.393 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -51.58 -40.32 59.57 Favored 'General case' 0 N--CA 1.44 -0.928 0 N-CA-C 112.87 0.693 . . . . 0.0 112.87 178.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -60.5 -40.48 91.52 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.341 173.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 10.4 m-30 -78.28 -35.05 48.49 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 123.682 0.793 . . . . 0.0 110.737 -168.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 40.7 t -53.19 124.45 38.57 Favored Pre-proline 0 CA--C 1.543 0.704 0 CA-C-O 118.378 -0.82 . . . . 0.0 109.822 177.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -54.22 146.18 51.09 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.334 2.689 . . . . 0.0 112.771 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.421 ' HA ' ' CG ' ' A' ' 65' ' ' LYS . 5.5 mp0 -41.16 -45.17 2.73 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 129.521 3.129 . . . . 0.0 113.922 175.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -47.89 -43.88 29.06 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 121.886 0.85 . . . . 0.0 110.827 172.257 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 51.3 m0 -100.23 -4.51 29.29 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 126.138 1.775 . . . . 0.0 113.059 -175.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.421 ' CG ' ' HA ' ' A' ' 62' ' ' GLU . 29.8 mmtm -54.99 -28.94 55.71 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 120.614 1.552 . . . . 0.0 108.843 169.446 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.2 m -44.63 -45.14 9.45 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.74 1.216 . . . . 0.0 111.57 168.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -67.26 -33.51 75.48 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 118.147 -0.93 . . . . 0.0 111.777 177.072 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.3 mp -63.71 -46.98 93.12 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 CA-C-N 120.471 1.487 . . . . 0.0 107.016 178.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.7 tp60 -55.31 -47.11 76.08 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.043 174.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.5 tptp -63.36 -45.48 90.96 Favored 'General case' 0 C--O 1.234 0.26 0 O-C-N 121.847 -0.533 . . . . 0.0 112.031 -177.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -59.07 -43.12 91.71 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.942 1.297 . . . . 0.0 110.972 176.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.6 ttm180 -56.2 -59.44 4.93 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 174.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -59.18 -41.5 88.6 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 128.213 2.605 . . . . 0.0 112.738 -170.058 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -37.95 -52.19 1.36 Allowed 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 124.658 1.183 . . . . 0.0 111.974 178.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -103.5 -21.28 13.8 Favored 'General case' 0 N--CA 1.455 -0.224 0 O-C-N 123.84 0.712 . . . . 0.0 111.384 -170.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.89 75.23 7.84 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 170.013 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.252 1.202 0 CA-C-O 116.354 -1.784 . . . . 0.0 107.661 -170.027 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SF4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SF4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.423 ' N ' ' OD1' ' A' ' 41' ' ' ASP . . . . . . . . 0 N--CA 1.467 0.412 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -101.56 138.56 38.4 Favored 'General case' 0 CA--C 1.521 -0.135 0 C-N-CA 124.736 1.214 . . . . 0.0 109.796 -177.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.2 t -138.36 143.82 31.82 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 C-N-CA 123.279 0.632 . . . . 0.0 111.705 -172.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.401 HD13 HE22 ' A' ' 31' ' ' GLN . 2.1 pp -66.48 172.35 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 C-N-CA 126.122 1.769 . . . . 0.0 110.314 171.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.0 p -143.92 -97.71 0.11 Allowed 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 174.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.444 ' C ' ' H ' ' A' ' 8' ' ' CYS 0.257 7.6 tt0 -127.18 -52.54 0.03 OUTLIER Pre-proline 0 CA--C 1.537 0.445 0 CA-C-O 117.279 -1.343 . . . . 0.0 114.03 -166.927 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -70.37 31.35 0.2 Allowed 'Trans proline' 0 CA--C 1.544 0.983 0 C-N-CA 122.702 2.268 . . . . 0.0 113.894 171.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.444 ' H ' ' C ' ' A' ' 6' ' ' GLU . 1.4 t -115.64 -30.57 6.12 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 129.032 2.933 . . . . 0.0 110.73 174.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.4 mp -58.26 134.41 23.03 Favored 'Isoleucine or valine' 0 C--N 1.342 0.244 0 C-N-CA 123.656 0.782 . . . . 0.0 109.174 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.96 64.93 0.02 OUTLIER Glycine 0 CA--C 1.526 0.758 0 N-CA-C 112.353 -0.299 . . . . 0.0 112.353 -169.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.8 m 15.48 84.85 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 129.208 3.003 . . . . 0.0 116.602 169.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.7 tppt? 75.99 58.38 0.05 Allowed 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 128.443 2.697 . . . . 0.0 112.494 169.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 50.5 t -63.55 155.12 30.46 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 168.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -148.46 95.82 2.5 Favored 'General case' 0 N--CA 1.456 -0.131 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 174.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 72.6 m -155.84 -57.44 0.09 Allowed 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.954 0.902 . . . . 0.0 109.034 174.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.2 p -73.41 61.0 0.65 Allowed 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.704 0.801 . . . . 0.0 110.153 174.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 41.7 t -126.74 -92.22 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 C-N-CA 124.33 1.052 . . . . 0.0 108.768 -178.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.8 pm0 -75.69 32.18 0.11 Allowed 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 -169.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 12.8 p -117.21 -32.98 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 C-N-CA 125.626 1.57 . . . . 0.0 110.959 -179.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 50.2 t -66.31 123.44 85.42 Favored Pre-proline 0 CA--C 1.539 0.538 0 CA-C-N 118.912 0.778 . . . . 0.0 110.987 -170.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -45.03 -36.51 11.57 Favored 'Trans proline' 0 N--CA 1.454 -0.813 1 C-N-CA 125.301 4.001 . . . . 0.0 114.372 177.106 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -125.84 27.24 2.57 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 C-N-CA 123.394 0.678 . . . . 0.0 111.918 -171.426 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.7 t70 36.71 61.96 0.8 Allowed 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.23 1.412 . . . . 0.0 113.184 173.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 16.7 p -118.85 33.37 5.68 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 123.043 0.537 . . . . 0.0 110.752 -178.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.1 pp -111.16 116.28 52.09 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 C-N-CA 126.995 2.118 . . . . 0.0 107.866 176.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -128.33 146.66 50.7 Favored 'General case' 0 C--O 1.216 -0.674 0 C-N-CA 125.524 1.53 . . . . 0.0 109.851 -169.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 75.9 mt-10 -84.81 140.66 31.04 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 120.071 1.305 . . . . 0.0 112.907 177.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -106.51 43.48 1.67 Allowed Glycine 0 CA--C 1.532 1.108 0 N-CA-C 105.59 -3.004 . . . . 0.0 105.59 166.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.413 ' HA ' ' OE1' ' A' ' 29' ' ' GLU . 0.0 OUTLIER 65.24 -61.84 0.22 Allowed 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 130.408 3.483 . . . . 0.0 111.115 -171.924 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -77.78 -34.3 52.34 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 124.502 1.121 . . . . 0.0 112.236 -171.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.401 HE22 HD13 ' A' ' 4' ' ' ILE . 0.0 OUTLIER -149.0 158.27 44.05 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 -167.84 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -77.13 155.96 31.99 Favored 'General case' 0 N--CA 1.448 -0.532 0 O-C-N 123.491 0.495 . . . . 0.0 110.339 172.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -135.67 119.27 17.04 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 129.719 3.208 . . . . 0.0 105.59 -175.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 58.8 mt -88.96 131.1 37.15 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.722 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 178.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -76.01 111.19 13.63 Favored Pre-proline 0 C--O 1.234 0.259 0 N-CA-C 107.084 -1.451 . . . . 0.0 107.084 168.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -61.83 -31.01 85.16 Favored 'Trans proline' 0 N--CA 1.446 -1.292 0 CA-C-N 120.394 1.176 . . . . 0.0 110.56 177.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -79.63 -18.91 50.43 Favored 'General case' 0 N--CA 1.446 -0.633 0 O-C-N 121.619 -0.676 . . . . 0.0 110.318 -172.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 39.5 t -96.35 -33.49 4.64 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 CA-C-N 118.422 0.555 . . . . 0.0 111.313 171.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 12.8 t -55.66 128.25 33.8 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 119.286 0.948 . . . . 0.0 111.285 177.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 18.6 pt -90.99 38.6 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 C-N-CA 123.762 0.825 . . . . 0.0 111.854 -176.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.423 ' OD1' ' N ' ' A' ' 1' ' ' ALA . 2.8 m-20 44.88 57.12 4.81 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.967 1.307 . . . . 0.0 112.168 178.158 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.54 -167.51 1.48 Allowed 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.278 0.631 . . . . 0.0 109.541 171.086 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -142.69 23.39 2.32 Favored Glycine 0 CA--C 1.53 1.024 0 CA-C-N 119.081 0.855 . . . . 0.0 113.344 -178.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -77.57 -54.5 6.32 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 117.66 0.73 . . . . 0.0 111.023 -176.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 24.9 p -52.72 -45.95 67.16 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.174 0.989 . . . . 0.0 111.737 -176.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -55.81 -52.51 63.74 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 119.151 0.887 . . . . 0.0 110.915 173.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.68 -33.33 68.25 Favored 'General case' 0 CA--C 1.533 0.289 0 O-C-N 121.795 -0.566 . . . . 0.0 111.027 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.9 t -77.55 -35.83 22.32 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 CA-C-O 118.464 -0.779 . . . . 0.0 112.382 177.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 48.2 t -60.85 112.76 6.19 Favored Pre-proline 0 CA--C 1.536 0.418 0 CA-C-N 119.814 1.188 . . . . 0.0 108.662 178.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -75.15 26.02 0.38 Allowed 'Trans proline' 0 CA--C 1.537 0.656 0 C-N-CA 123.276 2.651 . . . . 0.0 113.062 -169.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -129.29 -29.22 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 C-N-CA 126.543 1.937 . . . . 0.0 109.733 -177.092 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.4 m 63.12 98.48 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.095 1.758 . . . . 0.0 110.062 -168.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -154.43 -21.37 0.13 Allowed 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 -172.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 15.9 mt -80.38 115.65 23.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 N-CA-C 107.267 -1.382 . . . . 0.0 107.267 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -124.75 167.21 14.9 Favored 'General case' 0 CA--C 1.509 -0.598 0 O-C-N 121.814 -0.554 . . . . 0.0 109.831 -179.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.42 ' NE2' ' N ' ' A' ' 1' ' ' ALA . 9.0 t-80 -59.78 144.0 49.53 Favored 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 177.393 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -51.58 -40.32 59.57 Favored 'General case' 0 N--CA 1.44 -0.928 0 N-CA-C 112.87 0.693 . . . . 0.0 112.87 178.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -60.5 -40.48 91.52 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.341 173.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 10.4 m-30 -78.28 -35.05 48.49 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 123.682 0.793 . . . . 0.0 110.737 -168.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 40.7 t -53.19 124.45 38.57 Favored Pre-proline 0 CA--C 1.543 0.704 0 CA-C-O 118.378 -0.82 . . . . 0.0 109.822 177.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -54.22 146.18 51.09 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.334 2.689 . . . . 0.0 112.771 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.421 ' HA ' ' CG ' ' A' ' 65' ' ' LYS . 5.5 mp0 -41.16 -45.17 2.73 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 129.521 3.129 . . . . 0.0 113.922 175.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -47.89 -43.88 29.06 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 121.886 0.85 . . . . 0.0 110.827 172.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 51.3 m0 -100.23 -4.51 29.29 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 126.138 1.775 . . . . 0.0 113.059 -175.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.421 ' CG ' ' HA ' ' A' ' 62' ' ' GLU . 29.8 mmtm -54.99 -28.94 55.71 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 120.614 1.552 . . . . 0.0 108.843 169.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.2 m -44.63 -45.14 9.45 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.74 1.216 . . . . 0.0 111.57 168.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -67.26 -33.51 75.48 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 118.147 -0.93 . . . . 0.0 111.777 177.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.3 mp -63.71 -46.98 93.12 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 CA-C-N 120.471 1.487 . . . . 0.0 107.016 178.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.7 tp60 -55.31 -47.11 76.08 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.043 174.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.5 tptp -63.36 -45.48 90.96 Favored 'General case' 0 C--O 1.234 0.26 0 O-C-N 121.847 -0.533 . . . . 0.0 112.031 -177.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -59.07 -43.12 91.71 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.942 1.297 . . . . 0.0 110.972 176.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.6 ttm180 -56.2 -59.44 4.93 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 174.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -59.18 -41.5 88.6 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 128.213 2.605 . . . . 0.0 112.738 -170.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -37.95 -52.19 1.36 Allowed 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 124.658 1.183 . . . . 0.0 111.974 178.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -103.5 -21.28 13.8 Favored 'General case' 0 N--CA 1.455 -0.224 0 O-C-N 123.84 0.712 . . . . 0.0 111.384 -170.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.89 75.23 7.84 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 170.013 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.252 1.202 0 CA-C-O 116.354 -1.784 . . . . 0.0 107.661 -170.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SF4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SF4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_