data_1bfx_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 1bfx _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . 2.413 1.5 m-20 . . . . . 0 N--CA 1.473 0.719 0 N-CA-C 107.888 -1.152 . . . . 0.0 107.888 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . 2.479 3.4 mtpm? 177.28 160.87 0.45 Allowed 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 107.656 -1.238 . . . . 0.0 107.656 148.442 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -139.51 172.9 12.14 Favored 'General case' 0 N--CA 1.442 -0.839 0 N-CA-C 102.546 -3.131 . . . . 0.0 102.546 -173.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.2 m -96.73 -118.7 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.438 -1.036 0 N-CA-C 107.151 -1.425 . . . . 0.0 107.151 174.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt 134.76 73.46 0.0 OUTLIER 'General case' 0 CA--C 1.517 -0.292 0 C-N-CA 130.814 3.646 . . . . 0.0 102.116 -167.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -51.63 114.56 1.3 Allowed 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 114.664 -1.153 . . . . 0.0 108.662 177.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -118.96 145.57 45.68 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 123.871 0.869 . . . . 0.0 108.825 -178.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 81.8 p -84.32 160.27 20.74 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.314 0.646 . . . . 0.0 109.796 -176.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 18.7 mt -49.95 -55.37 14.78 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-O 119.342 -0.361 . . . . 0.0 110.782 178.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -51.59 -51.41 55.73 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -55.75 -55.14 35.87 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 -178.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 28.4 mt -57.4 -44.96 85.37 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 O-C-N 121.821 -0.549 . . . . 0.0 110.604 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -58.63 -40.42 83.29 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.43 1.092 . . . . 0.0 110.583 -177.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.9 mttt -57.09 -46.51 82.5 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 122.212 -0.305 . . . . 0.0 110.564 172.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.406 ' HD1' ' CB ' ' A' ' 20' ' ' SER . 95.8 m-70 -73.37 71.78 1.28 Allowed 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 121.47 0.653 . . . . 0.0 110.845 173.073 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.94 -39.85 1.92 Allowed 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 168.218 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -81.78 165.15 21.17 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.095 0.558 . . . . 0.0 111.249 -172.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.0 m 53.67 -64.72 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 128.959 2.904 . . . . 0.0 117.028 164.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.3 tttp -147.35 5.19 0.82 Allowed 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.746 0.818 . . . . 0.0 113.104 -155.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.406 ' CB ' ' HD1' ' A' ' 15' ' ' HIS . 50.4 m -146.88 77.58 1.47 Allowed 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 106.119 -1.808 . . . . 0.0 106.119 175.06 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.4 m -80.93 80.45 7.4 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 106.867 -1.531 . . . . 0.0 106.867 178.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 39.1 m0 -89.46 169.75 11.11 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 176.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -157.44 158.79 2.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 N-CA-C 107.656 -1.238 . . . . 0.0 107.656 176.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 40.1 pt -97.4 127.07 50.03 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 168.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 71.0 mt -127.76 133.67 49.5 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 172.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 61.36 -61.62 0.09 Allowed 'General case' 0 C--O 1.222 -0.359 0 C-N-CA 128.934 2.894 . . . . 0.0 114.145 177.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -175.96 32.38 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 128.266 2.626 . . . . 0.0 108.881 174.629 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.03 166.82 29.55 Favored 'General case' 0 N--CA 1.453 -0.291 0 O-C-N 120.818 -1.176 . . . . 0.0 109.743 -178.076 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 17.2 t -104.09 137.66 31.97 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 C-N-CA 124.305 1.042 . . . . 0.0 109.731 -172.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.406 ' CE2' ' HB2' ' A' ' 71' ' ' SER . 10.8 m-85 -121.4 144.82 48.46 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.543 1.137 . . . . 0.0 108.43 175.537 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.95 132.53 38.32 Favored 'General case' 0 N--CA 1.457 -0.114 0 N-CA-C 107.022 -1.473 . . . . 0.0 107.022 160.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 69.3 mt -127.26 25.46 6.16 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.038 0.535 . . . . 0.0 110.948 171.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 70.4 m -57.43 -69.5 0.16 Allowed 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 125.609 1.564 . . . . 0.0 111.997 -177.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 67.9 mttt -67.61 -28.91 68.14 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 119.333 -0.947 . . . . 0.0 110.384 178.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -62.15 -25.99 68.07 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 118.721 -0.657 . . . . 0.0 112.278 -178.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 15.6 mt -29.15 -63.48 0.11 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.531 1.533 . . . . 0.0 113.916 178.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 61.1 tt0 -81.36 -40.47 23.49 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 117.709 0.231 . . . . 0.0 111.248 -175.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -51.16 -42.57 60.88 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.807 0.843 . . . . 0.0 111.486 177.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -46.47 106.31 0.56 Allowed Pre-proline 0 CA--C 1.535 0.381 0 C-N-CA 125.591 1.556 . . . . 0.0 112.248 -175.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -75.26 74.21 4.21 Favored 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 122.973 2.449 . . . . 0.0 109.312 -176.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.61 -42.6 0.06 OUTLIER Glycine 0 CA--C 1.523 0.539 0 N-CA-C 109.203 -1.559 . . . . 0.0 109.203 -175.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 144.28 153.28 5.83 Favored Glycine 0 C--N 1.337 0.635 0 N-CA-C 111.166 -0.773 . . . . 0.0 111.166 172.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -69.79 -50.24 45.03 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 173.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -62.91 -47.76 81.9 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.478 -153.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.0 p -47.41 -47.3 10.23 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.545 170.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 81.9 mt -60.1 -52.09 66.83 Favored 'General case' 0 C--N 1.343 0.288 0 O-C-N 120.471 -1.393 . . . . 0.0 109.912 176.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.2 ttm180 -60.14 -36.33 77.29 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 119.841 -0.743 . . . . 0.0 111.476 -174.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -56.52 -43.81 80.17 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 123.518 0.727 . . . . 0.0 110.86 171.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -83.52 -15.31 49.87 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.843 0.857 . . . . 0.0 110.929 -173.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -42.62 128.93 4.12 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 126.493 1.917 . . . . 0.0 113.343 -177.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 50.07 25.2 7.4 Favored Glycine 0 CA--C 1.533 1.16 0 C-N-CA 125.629 1.585 . . . . 0.0 114.108 -174.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -122.11 -178.41 15.67 Favored Glycine 0 CA--C 1.527 0.796 0 N-CA-C 108.642 -1.783 . . . . 0.0 108.642 170.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -73.97 132.96 42.93 Favored 'General case' 0 CA--C 1.511 -0.535 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 171.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -128.14 -10.65 5.31 Favored 'General case' 0 N--CA 1.444 -0.774 0 O-C-N 124.385 1.053 . . . . 0.0 113.141 174.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.03 -44.42 87.35 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 170.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.0 -24.33 16.45 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 179.463 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 -94.31 -53.6 3.87 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 121.121 -0.987 . . . . 0.0 109.666 177.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -42.97 -54.04 4.45 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 125.559 1.544 . . . . 0.0 111.5 175.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -61.58 -46.88 87.98 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.527 1.131 . . . . 0.0 111.491 -169.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -52.42 -44.75 65.62 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-O 121.523 0.677 . . . . 0.0 109.854 173.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 98.8 t -66.47 -36.97 78.62 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.518 176.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 69.45 72.69 0.82 Allowed Glycine 0 CA--C 1.527 0.825 0 N-CA-C 110.418 -1.073 . . . . 0.0 110.418 177.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 4.0 m80 -58.3 156.48 9.96 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 122.291 1.043 . . . . 0.0 112.465 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.75 159.05 23.15 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 125.349 1.459 . . . . 0.0 112.247 -174.011 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.1 t -68.6 -9.2 48.21 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -82.54 -54.26 5.31 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.893 1.677 . . . . 0.0 110.374 177.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -46.76 -38.3 9.85 Favored 'General case' 0 C--O 1.225 -0.234 0 C-N-CA 124.561 1.145 . . . . 0.0 109.94 172.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -48.2 -37.25 15.38 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 114.538 1.31 . . . . 0.0 114.538 173.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -84.57 -47.08 10.92 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 120.714 1.597 . . . . 0.0 109.754 175.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 9.9 tp -57.17 -28.67 62.99 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 122.132 0.968 . . . . 0.0 111.11 -176.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.406 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 59.7 p -52.27 -38.11 57.38 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 124.496 1.118 . . . . 0.0 111.602 173.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.0 tttt -78.13 -12.38 59.99 Favored 'General case' 0 N--CA 1.445 -0.703 0 C-N-CA 124.54 1.136 . . . . 0.0 109.956 -175.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.3 m -81.28 -40.29 23.93 Favored 'General case' 0 N--CA 1.442 -0.832 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 167.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -77.96 -21.1 51.5 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -49.78 133.69 8.82 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 C-N-CA 124.081 0.953 . . . . 0.0 111.999 176.027 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -112.16 -38.75 3.17 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 C-N-CA 125.832 1.653 . . . . 0.0 110.868 -172.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -176.73 -177.38 45.66 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 108.348 -1.901 . . . . 0.0 108.348 -168.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -116.13 165.48 13.1 Favored 'General case' 0 CA--C 1.528 0.12 0 CA-C-N 118.132 0.966 . . . . 0.0 111.198 174.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -75.53 117.7 17.6 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 -175.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.417 ' HD1' ' CB ' ' A' ' 82' ' ' ASP . 18.2 t-80 -54.83 136.07 65.36 Favored Pre-proline 0 CA--C 1.539 0.551 0 CA-C-N 118.745 0.702 . . . . 0.0 111.603 -170.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -61.2 -18.0 55.84 Favored 'Trans proline' 0 N--CA 1.456 -0.712 0 C-N-CA 123.241 2.627 . . . . 0.0 113.42 -175.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.417 ' CB ' ' HD1' ' A' ' 80' ' ' HIS . 14.1 t0 -52.17 -76.08 0.03 OUTLIER 'General case' 0 C--O 1.234 0.284 0 C-N-CA 124.543 1.137 . . . . 0.0 110.155 170.23 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -61.29 -34.72 75.67 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-O 119.273 -0.394 . . . . 0.0 110.059 -177.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -40.61 -49.73 2.99 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 177.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.6 t -63.47 -29.46 70.74 Favored 'General case' 0 C--N 1.34 0.152 0 O-C-N 122.028 -0.42 . . . . 0.0 111.326 -176.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 65.2 tttt -76.59 -69.73 0.5 Allowed 'General case' 0 N--CA 1.442 -0.834 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 175.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 82.5 mt 24.64 68.5 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.344 0.343 0 C-N-CA 127.193 2.197 . . . . 0.0 106.612 -155.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.93 106.3 0.21 Allowed 'General case' 0 CA--C 1.514 -0.438 0 N-CA-C 106.593 -1.632 . . . . 0.0 106.593 -176.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.53 117.01 63.9 Favored Pre-proline 0 N--CA 1.443 -0.823 0 N-CA-C 106.382 -1.71 . . . . 0.0 106.382 -136.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.426 ' C ' ' H ' ' A' ' 92' ' ' GLU . 42.0 Cg_endo -54.02 123.63 13.95 Favored 'Trans proline' 0 N--CA 1.449 -1.119 0 N-CA-C 102.779 -3.585 . . . . 0.0 102.779 163.067 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 69.6 m -80.65 20.85 0.7 Allowed 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 124.865 1.266 . . . . 0.0 111.763 -138.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.493 ' HB2' ' CA ' ' A' ' 93' ' ' THR . 0.0 OUTLIER -179.59 -140.6 0.01 OUTLIER 'General case' 0 CA--C 1.565 1.531 0 C-N-CA 130.321 3.448 . . . . 0.0 102.249 -147.495 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.493 ' CA ' ' HB2' ' A' ' 92' ' ' GLU 2.423 0.0 OUTLIER -175.0 64.91 0.02 OUTLIER 'General case' 0 C--N 1.344 0.366 2 CA-C-N 126.785 4.357 . . . . 0.0 110.133 -8.031 . . . . . . . . 5 4 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 10.3 tp . . . . . 0 C--O 1.253 1.277 0 CA-C-O 114.607 -2.616 . . . . 0.0 106.697 120.312 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . 2.413 1.5 m-20 . . . . . 0 N--CA 1.473 0.719 0 N-CA-C 107.888 -1.152 . . . . 0.0 107.888 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . 2.479 3.4 mtpm? 177.28 160.87 0.45 Allowed 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 107.656 -1.238 . . . . 0.0 107.656 148.442 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -139.51 172.9 12.14 Favored 'General case' 0 N--CA 1.442 -0.839 0 N-CA-C 102.546 -3.131 . . . . 0.0 102.546 -173.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.2 m -96.73 -118.7 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.438 -1.036 0 N-CA-C 107.151 -1.425 . . . . 0.0 107.151 174.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt 134.76 73.46 0.0 OUTLIER 'General case' 0 CA--C 1.517 -0.292 0 C-N-CA 130.814 3.646 . . . . 0.0 102.116 -167.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -51.63 114.56 1.3 Allowed 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 114.664 -1.153 . . . . 0.0 108.662 177.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -118.96 145.57 45.68 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 123.871 0.869 . . . . 0.0 108.825 -178.272 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 81.8 p -84.32 160.27 20.74 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.314 0.646 . . . . 0.0 109.796 -176.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.44 ' CD2' HD21 ' A' ' 79' ' ' LEU . 18.7 mt -49.95 -55.37 14.78 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-O 119.342 -0.361 . . . . 0.0 110.782 178.582 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -51.59 -51.41 55.73 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -55.75 -55.14 35.87 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 -178.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 28.4 mt -57.4 -44.96 85.37 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 O-C-N 121.821 -0.549 . . . . 0.0 110.604 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -58.63 -40.42 83.29 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.43 1.092 . . . . 0.0 110.583 -177.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.9 mttt -57.09 -46.51 82.5 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 122.212 -0.305 . . . . 0.0 110.564 172.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -73.37 71.78 1.28 Allowed 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 121.47 0.653 . . . . 0.0 110.845 173.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.94 -39.85 1.92 Allowed 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 168.218 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -81.78 165.15 21.17 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.095 0.558 . . . . 0.0 111.249 -172.006 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.0 m 53.67 -64.72 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 128.959 2.904 . . . . 0.0 117.028 164.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.3 tttp -147.35 5.19 0.82 Allowed 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.746 0.818 . . . . 0.0 113.104 -155.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.4 m -146.88 77.58 1.47 Allowed 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 106.119 -1.808 . . . . 0.0 106.119 175.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.481 HG21 HD21 ' A' ' 36' ' ' LEU . 24.4 m -80.93 80.45 7.4 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 106.867 -1.531 . . . . 0.0 106.867 178.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 39.1 m0 -89.46 169.75 11.11 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 176.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -157.44 158.79 2.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 N-CA-C 107.656 -1.238 . . . . 0.0 107.656 176.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 40.1 pt -97.4 127.07 50.03 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 168.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.405 HD12 ' CE2' ' A' ' 30' ' ' TYR . 71.0 mt -127.76 133.67 49.5 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 172.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 61.36 -61.62 0.09 Allowed 'General case' 0 C--O 1.222 -0.359 0 C-N-CA 128.934 2.894 . . . . 0.0 114.145 177.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -175.96 32.38 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 128.266 2.626 . . . . 0.0 108.881 174.629 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.03 166.82 29.55 Favored 'General case' 0 N--CA 1.453 -0.291 0 O-C-N 120.818 -1.176 . . . . 0.0 109.743 -178.076 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 17.2 t -104.09 137.66 31.97 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 C-N-CA 124.305 1.042 . . . . 0.0 109.731 -172.108 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.466 ' HE2' ' HB2' ' A' ' 71' ' ' SER . 10.8 m-85 -121.4 144.82 48.46 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.543 1.137 . . . . 0.0 108.43 175.537 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.465 ' HB2' HG13 ' A' ' 76' ' ' ILE . 0.1 OUTLIER -93.95 132.53 38.32 Favored 'General case' 0 N--CA 1.457 -0.114 0 N-CA-C 107.022 -1.473 . . . . 0.0 107.022 160.916 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 69.3 mt -127.26 25.46 6.16 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.038 0.535 . . . . 0.0 110.948 171.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 70.4 m -57.43 -69.5 0.16 Allowed 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 125.609 1.564 . . . . 0.0 111.997 -177.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 67.9 mttt -67.61 -28.91 68.14 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 119.333 -0.947 . . . . 0.0 110.384 178.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -62.15 -25.99 68.07 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 118.721 -0.657 . . . . 0.0 112.278 -178.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.481 HD21 HG21 ' A' ' 21' ' ' THR . 15.6 mt -29.15 -63.48 0.11 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.531 1.533 . . . . 0.0 113.916 178.579 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 61.1 tt0 -81.36 -40.47 23.49 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 117.709 0.231 . . . . 0.0 111.248 -175.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -51.16 -42.57 60.88 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.807 0.843 . . . . 0.0 111.486 177.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -46.47 106.31 0.56 Allowed Pre-proline 0 CA--C 1.535 0.381 0 C-N-CA 125.591 1.556 . . . . 0.0 112.248 -175.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -75.26 74.21 4.21 Favored 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 122.973 2.449 . . . . 0.0 109.312 -176.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.61 -42.6 0.06 OUTLIER Glycine 0 CA--C 1.523 0.539 0 N-CA-C 109.203 -1.559 . . . . 0.0 109.203 -175.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 144.28 153.28 5.83 Favored Glycine 0 C--N 1.337 0.635 0 N-CA-C 111.166 -0.773 . . . . 0.0 111.166 172.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -69.79 -50.24 45.03 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 173.04 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -62.91 -47.76 81.9 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.478 -153.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.0 p -47.41 -47.3 10.23 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.545 170.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.508 HD22 HBB2 ' A' ' 96' ' ' HEM . 81.9 mt -60.1 -52.09 66.83 Favored 'General case' 0 C--N 1.343 0.288 0 O-C-N 120.471 -1.393 . . . . 0.0 109.912 176.216 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.2 ttm180 -60.14 -36.33 77.29 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 119.841 -0.743 . . . . 0.0 111.476 -174.244 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -56.52 -43.81 80.17 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 123.518 0.727 . . . . 0.0 110.86 171.143 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.44 ' HB3' ' HB2' ' A' ' 54' ' ' ALA . 5.6 mm-40 -83.52 -15.31 49.87 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.843 0.857 . . . . 0.0 110.929 -173.227 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -42.62 128.93 4.12 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 126.493 1.917 . . . . 0.0 113.343 -177.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 50.07 25.2 7.4 Favored Glycine 0 CA--C 1.533 1.16 0 C-N-CA 125.629 1.585 . . . . 0.0 114.108 -174.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -122.11 -178.41 15.67 Favored Glycine 0 CA--C 1.527 0.796 0 N-CA-C 108.642 -1.783 . . . . 0.0 108.642 170.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -73.97 132.96 42.93 Favored 'General case' 0 CA--C 1.511 -0.535 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 171.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.44 ' HB2' ' HB3' ' A' ' 49' ' ' GLN . . . -128.14 -10.65 5.31 Favored 'General case' 0 N--CA 1.444 -0.774 0 O-C-N 124.385 1.053 . . . . 0.0 113.141 174.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.03 -44.42 87.35 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 170.71 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.0 -24.33 16.45 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 179.463 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 -94.31 -53.6 3.87 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 121.121 -0.987 . . . . 0.0 109.666 177.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -42.97 -54.04 4.45 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 125.559 1.544 . . . . 0.0 111.5 175.455 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -61.58 -46.88 87.98 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.527 1.131 . . . . 0.0 111.491 -169.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -52.42 -44.75 65.62 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-O 121.523 0.677 . . . . 0.0 109.854 173.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 98.8 t -66.47 -36.97 78.62 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.518 176.206 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 69.45 72.69 0.82 Allowed Glycine 0 CA--C 1.527 0.825 0 N-CA-C 110.418 -1.073 . . . . 0.0 110.418 177.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 4.0 m80 -58.3 156.48 9.96 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 122.291 1.043 . . . . 0.0 112.465 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.75 159.05 23.15 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 125.349 1.459 . . . . 0.0 112.247 -174.011 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.1 t -68.6 -9.2 48.21 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -82.54 -54.26 5.31 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.893 1.677 . . . . 0.0 110.374 177.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -46.76 -38.3 9.85 Favored 'General case' 0 C--O 1.225 -0.234 0 C-N-CA 124.561 1.145 . . . . 0.0 109.94 172.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -48.2 -37.25 15.38 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 114.538 1.31 . . . . 0.0 114.538 173.623 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -84.57 -47.08 10.92 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 120.714 1.597 . . . . 0.0 109.754 175.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 9.9 tp -57.17 -28.67 62.99 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 122.132 0.968 . . . . 0.0 111.11 -176.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.466 ' HB2' ' HE2' ' A' ' 30' ' ' TYR . 59.7 p -52.27 -38.11 57.38 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 124.496 1.118 . . . . 0.0 111.602 173.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.0 tttt -78.13 -12.38 59.99 Favored 'General case' 0 N--CA 1.445 -0.703 0 C-N-CA 124.54 1.136 . . . . 0.0 109.956 -175.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.3 m -81.28 -40.29 23.93 Favored 'General case' 0 N--CA 1.442 -0.832 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 167.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -77.96 -21.1 51.5 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -49.78 133.69 8.82 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 C-N-CA 124.081 0.953 . . . . 0.0 111.999 176.027 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.465 HG13 ' HB2' ' A' ' 31' ' ' ASP . 0.1 OUTLIER -112.16 -38.75 3.17 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 C-N-CA 125.832 1.653 . . . . 0.0 110.868 -172.766 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -176.73 -177.38 45.66 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 108.348 -1.901 . . . . 0.0 108.348 -168.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -116.13 165.48 13.1 Favored 'General case' 0 CA--C 1.528 0.12 0 CA-C-N 118.132 0.966 . . . . 0.0 111.198 174.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.44 HD21 ' CD2' ' A' ' 9' ' ' LEU . 1.5 tm? -75.53 117.7 17.6 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 -175.522 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 18.2 t-80 -54.83 136.07 65.36 Favored Pre-proline 0 CA--C 1.539 0.551 0 CA-C-N 118.745 0.702 . . . . 0.0 111.603 -170.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -61.2 -18.0 55.84 Favored 'Trans proline' 0 N--CA 1.456 -0.712 0 C-N-CA 123.241 2.627 . . . . 0.0 113.42 -175.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -52.17 -76.08 0.03 OUTLIER 'General case' 0 C--O 1.234 0.284 0 C-N-CA 124.543 1.137 . . . . 0.0 110.155 170.23 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -61.29 -34.72 75.67 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-O 119.273 -0.394 . . . . 0.0 110.059 -177.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -40.61 -49.73 2.99 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 177.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.6 t -63.47 -29.46 70.74 Favored 'General case' 0 C--N 1.34 0.152 0 O-C-N 122.028 -0.42 . . . . 0.0 111.326 -176.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 65.2 tttt -76.59 -69.73 0.5 Allowed 'General case' 0 N--CA 1.442 -0.834 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 175.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 82.5 mt 24.64 68.5 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.344 0.343 0 C-N-CA 127.193 2.197 . . . . 0.0 106.612 -155.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.93 106.3 0.21 Allowed 'General case' 0 CA--C 1.514 -0.438 0 N-CA-C 106.593 -1.632 . . . . 0.0 106.593 -176.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.53 117.01 63.9 Favored Pre-proline 0 N--CA 1.443 -0.823 0 N-CA-C 106.382 -1.71 . . . . 0.0 106.382 -136.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -54.02 123.63 13.95 Favored 'Trans proline' 0 N--CA 1.449 -1.119 0 N-CA-C 102.779 -3.585 . . . . 0.0 102.779 163.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.515 ' C ' ' HG3' ' A' ' 92' ' ' GLU . 69.6 m -80.65 20.85 0.7 Allowed 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 124.865 1.266 . . . . 0.0 111.763 -138.719 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.639 ' HB2' ' HA ' ' A' ' 93' ' ' THR . 0.0 OUTLIER -179.59 -140.6 0.01 OUTLIER 'General case' 0 CA--C 1.565 1.531 0 C-N-CA 130.321 3.448 . . . . 0.0 102.249 -147.495 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.639 ' HA ' ' HB2' ' A' ' 92' ' ' GLU 2.423 0.0 OUTLIER -175.0 64.91 0.02 OUTLIER 'General case' 0 C--N 1.344 0.366 2 CA-C-N 126.785 4.357 . . . . 0.0 110.133 -8.031 . . . . . . . . 5 4 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' ' 94' ' ' LEU . 10.3 tp . . . . . 0 C--O 1.253 1.277 0 CA-C-O 114.607 -2.616 . . . . 0.0 106.697 120.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' HEM . . . . . 0.508 HBB2 HD22 ' A' ' 46' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . 2.413 1.5 m-20 . . . . . 0 N--CA 1.473 0.719 0 N-CA-C 107.888 -1.152 . . . . 0.0 107.888 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . 2.479 3.4 mtpm? 177.28 160.87 0.45 Allowed 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 107.656 -1.238 . . . . 0.0 107.656 148.442 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -139.51 172.9 12.14 Favored 'General case' 0 N--CA 1.442 -0.839 0 N-CA-C 102.546 -3.131 . . . . 0.0 102.546 -173.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.2 m -96.73 -118.7 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.438 -1.036 0 N-CA-C 107.151 -1.425 . . . . 0.0 107.151 174.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt 134.76 73.46 0.0 OUTLIER 'General case' 0 CA--C 1.517 -0.292 0 C-N-CA 130.814 3.646 . . . . 0.0 102.116 -167.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -51.63 114.56 1.3 Allowed 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 114.664 -1.153 . . . . 0.0 108.662 177.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -118.96 145.57 45.68 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 123.871 0.869 . . . . 0.0 108.825 -178.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 81.8 p -84.32 160.27 20.74 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.314 0.646 . . . . 0.0 109.796 -176.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.44 ' CD2' HD21 ' A' ' 79' ' ' LEU . 18.7 mt -49.95 -55.37 14.78 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-O 119.342 -0.361 . . . . 0.0 110.782 178.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -51.59 -51.41 55.73 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -55.75 -55.14 35.87 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 -178.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 28.4 mt -57.4 -44.96 85.37 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 O-C-N 121.821 -0.549 . . . . 0.0 110.604 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -58.63 -40.42 83.29 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.43 1.092 . . . . 0.0 110.583 -177.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.9 mttt -57.09 -46.51 82.5 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 122.212 -0.305 . . . . 0.0 110.564 172.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -73.37 71.78 1.28 Allowed 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 121.47 0.653 . . . . 0.0 110.845 173.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.94 -39.85 1.92 Allowed 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 168.218 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -81.78 165.15 21.17 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.095 0.558 . . . . 0.0 111.249 -172.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.0 m 53.67 -64.72 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 128.959 2.904 . . . . 0.0 117.028 164.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.3 tttp -147.35 5.19 0.82 Allowed 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.746 0.818 . . . . 0.0 113.104 -155.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.4 m -146.88 77.58 1.47 Allowed 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 106.119 -1.808 . . . . 0.0 106.119 175.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.481 HG21 HD21 ' A' ' 36' ' ' LEU . 24.4 m -80.93 80.45 7.4 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 106.867 -1.531 . . . . 0.0 106.867 178.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 39.1 m0 -89.46 169.75 11.11 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 176.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -157.44 158.79 2.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 N-CA-C 107.656 -1.238 . . . . 0.0 107.656 176.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 40.1 pt -97.4 127.07 50.03 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 168.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.405 HD12 ' CE2' ' A' ' 30' ' ' TYR . 71.0 mt -127.76 133.67 49.5 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 172.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 61.36 -61.62 0.09 Allowed 'General case' 0 C--O 1.222 -0.359 0 C-N-CA 128.934 2.894 . . . . 0.0 114.145 177.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -175.96 32.38 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 128.266 2.626 . . . . 0.0 108.881 174.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.03 166.82 29.55 Favored 'General case' 0 N--CA 1.453 -0.291 0 O-C-N 120.818 -1.176 . . . . 0.0 109.743 -178.076 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 17.2 t -104.09 137.66 31.97 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 C-N-CA 124.305 1.042 . . . . 0.0 109.731 -172.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.466 ' HE2' ' HB2' ' A' ' 71' ' ' SER . 10.8 m-85 -121.4 144.82 48.46 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.543 1.137 . . . . 0.0 108.43 175.537 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.465 ' HB2' HG13 ' A' ' 76' ' ' ILE . 0.1 OUTLIER -93.95 132.53 38.32 Favored 'General case' 0 N--CA 1.457 -0.114 0 N-CA-C 107.022 -1.473 . . . . 0.0 107.022 160.916 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 69.3 mt -127.26 25.46 6.16 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.038 0.535 . . . . 0.0 110.948 171.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 70.4 m -57.43 -69.5 0.16 Allowed 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 125.609 1.564 . . . . 0.0 111.997 -177.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 67.9 mttt -67.61 -28.91 68.14 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 119.333 -0.947 . . . . 0.0 110.384 178.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -62.15 -25.99 68.07 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 118.721 -0.657 . . . . 0.0 112.278 -178.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.481 HD21 HG21 ' A' ' 21' ' ' THR . 15.6 mt -29.15 -63.48 0.11 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.531 1.533 . . . . 0.0 113.916 178.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 61.1 tt0 -81.36 -40.47 23.49 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 117.709 0.231 . . . . 0.0 111.248 -175.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -51.16 -42.57 60.88 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.807 0.843 . . . . 0.0 111.486 177.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -46.47 106.31 0.56 Allowed Pre-proline 0 CA--C 1.535 0.381 0 C-N-CA 125.591 1.556 . . . . 0.0 112.248 -175.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -75.26 74.21 4.21 Favored 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 122.973 2.449 . . . . 0.0 109.312 -176.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.61 -42.6 0.06 OUTLIER Glycine 0 CA--C 1.523 0.539 0 N-CA-C 109.203 -1.559 . . . . 0.0 109.203 -175.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 144.28 153.28 5.83 Favored Glycine 0 C--N 1.337 0.635 0 N-CA-C 111.166 -0.773 . . . . 0.0 111.166 172.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -69.79 -50.24 45.03 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 173.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -62.91 -47.76 81.9 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.478 -153.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.0 p -47.41 -47.3 10.23 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.545 170.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.508 HD22 HBB2 ' A' ' 96' ' ' HEM . 81.9 mt -60.1 -52.09 66.83 Favored 'General case' 0 C--N 1.343 0.288 0 O-C-N 120.471 -1.393 . . . . 0.0 109.912 176.216 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.2 ttm180 -60.14 -36.33 77.29 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 119.841 -0.743 . . . . 0.0 111.476 -174.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -56.52 -43.81 80.17 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 123.518 0.727 . . . . 0.0 110.86 171.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.44 ' HB3' ' HB2' ' A' ' 54' ' ' ALA . 5.6 mm-40 -83.52 -15.31 49.87 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.843 0.857 . . . . 0.0 110.929 -173.227 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -42.62 128.93 4.12 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 126.493 1.917 . . . . 0.0 113.343 -177.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 50.07 25.2 7.4 Favored Glycine 0 CA--C 1.533 1.16 0 C-N-CA 125.629 1.585 . . . . 0.0 114.108 -174.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -122.11 -178.41 15.67 Favored Glycine 0 CA--C 1.527 0.796 0 N-CA-C 108.642 -1.783 . . . . 0.0 108.642 170.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -73.97 132.96 42.93 Favored 'General case' 0 CA--C 1.511 -0.535 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 171.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.44 ' HB2' ' HB3' ' A' ' 49' ' ' GLN . . . -128.14 -10.65 5.31 Favored 'General case' 0 N--CA 1.444 -0.774 0 O-C-N 124.385 1.053 . . . . 0.0 113.141 174.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.03 -44.42 87.35 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 170.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.0 -24.33 16.45 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 179.463 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 -94.31 -53.6 3.87 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 121.121 -0.987 . . . . 0.0 109.666 177.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -42.97 -54.04 4.45 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 125.559 1.544 . . . . 0.0 111.5 175.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -61.58 -46.88 87.98 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.527 1.131 . . . . 0.0 111.491 -169.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -52.42 -44.75 65.62 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-O 121.523 0.677 . . . . 0.0 109.854 173.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 98.8 t -66.47 -36.97 78.62 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.518 176.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 69.45 72.69 0.82 Allowed Glycine 0 CA--C 1.527 0.825 0 N-CA-C 110.418 -1.073 . . . . 0.0 110.418 177.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 4.0 m80 -58.3 156.48 9.96 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 122.291 1.043 . . . . 0.0 112.465 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.75 159.05 23.15 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 125.349 1.459 . . . . 0.0 112.247 -174.011 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.1 t -68.6 -9.2 48.21 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -82.54 -54.26 5.31 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.893 1.677 . . . . 0.0 110.374 177.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -46.76 -38.3 9.85 Favored 'General case' 0 C--O 1.225 -0.234 0 C-N-CA 124.561 1.145 . . . . 0.0 109.94 172.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -48.2 -37.25 15.38 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 114.538 1.31 . . . . 0.0 114.538 173.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -84.57 -47.08 10.92 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 120.714 1.597 . . . . 0.0 109.754 175.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 9.9 tp -57.17 -28.67 62.99 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 122.132 0.968 . . . . 0.0 111.11 -176.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.466 ' HB2' ' HE2' ' A' ' 30' ' ' TYR . 59.7 p -52.27 -38.11 57.38 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 124.496 1.118 . . . . 0.0 111.602 173.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.0 tttt -78.13 -12.38 59.99 Favored 'General case' 0 N--CA 1.445 -0.703 0 C-N-CA 124.54 1.136 . . . . 0.0 109.956 -175.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.3 m -81.28 -40.29 23.93 Favored 'General case' 0 N--CA 1.442 -0.832 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 167.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -77.96 -21.1 51.5 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -49.78 133.69 8.82 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 C-N-CA 124.081 0.953 . . . . 0.0 111.999 176.027 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.465 HG13 ' HB2' ' A' ' 31' ' ' ASP . 0.1 OUTLIER -112.16 -38.75 3.17 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 C-N-CA 125.832 1.653 . . . . 0.0 110.868 -172.766 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -176.73 -177.38 45.66 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 108.348 -1.901 . . . . 0.0 108.348 -168.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -116.13 165.48 13.1 Favored 'General case' 0 CA--C 1.528 0.12 0 CA-C-N 118.132 0.966 . . . . 0.0 111.198 174.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.44 HD21 ' CD2' ' A' ' 9' ' ' LEU . 1.5 tm? -75.53 117.7 17.6 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 -175.522 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 18.2 t-80 -54.83 136.07 65.36 Favored Pre-proline 0 CA--C 1.539 0.551 0 CA-C-N 118.745 0.702 . . . . 0.0 111.603 -170.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -61.2 -18.0 55.84 Favored 'Trans proline' 0 N--CA 1.456 -0.712 0 C-N-CA 123.241 2.627 . . . . 0.0 113.42 -175.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -52.17 -76.08 0.03 OUTLIER 'General case' 0 C--O 1.234 0.284 0 C-N-CA 124.543 1.137 . . . . 0.0 110.155 170.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -61.29 -34.72 75.67 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-O 119.273 -0.394 . . . . 0.0 110.059 -177.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -40.61 -49.73 2.99 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 177.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.6 t -63.47 -29.46 70.74 Favored 'General case' 0 C--N 1.34 0.152 0 O-C-N 122.028 -0.42 . . . . 0.0 111.326 -176.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 65.2 tttt -76.59 -69.73 0.5 Allowed 'General case' 0 N--CA 1.442 -0.834 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 175.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 82.5 mt 24.64 68.5 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.344 0.343 0 C-N-CA 127.193 2.197 . . . . 0.0 106.612 -155.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.93 106.3 0.21 Allowed 'General case' 0 CA--C 1.514 -0.438 0 N-CA-C 106.593 -1.632 . . . . 0.0 106.593 -176.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.53 117.01 63.9 Favored Pre-proline 0 N--CA 1.443 -0.823 0 N-CA-C 106.382 -1.71 . . . . 0.0 106.382 -136.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -54.02 123.63 13.95 Favored 'Trans proline' 0 N--CA 1.449 -1.119 0 N-CA-C 102.779 -3.585 . . . . 0.0 102.779 163.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.515 ' C ' ' HG3' ' A' ' 92' ' ' GLU . 69.6 m -80.65 20.85 0.7 Allowed 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 124.865 1.266 . . . . 0.0 111.763 -138.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.639 ' HB2' ' HA ' ' A' ' 93' ' ' THR . 0.0 OUTLIER -179.59 -140.6 0.01 OUTLIER 'General case' 0 CA--C 1.565 1.531 0 C-N-CA 130.321 3.448 . . . . 0.0 102.249 -147.495 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.639 ' HA ' ' HB2' ' A' ' 92' ' ' GLU 2.423 0.0 OUTLIER -175.0 64.91 0.02 OUTLIER 'General case' 0 C--N 1.344 0.366 2 CA-C-N 126.785 4.357 . . . . 0.0 110.133 -8.031 . . . . . . . . 5 4 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' ' 94' ' ' LEU . 10.3 tp . . . . . 0 C--O 1.253 1.277 0 CA-C-O 114.607 -2.616 . . . . 0.0 106.697 120.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' HEM . . . . . 0.508 HBB2 HD22 ' A' ' 46' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_