data_1hcc_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 1hcc _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 37.19 -167.41 0.01 OUTLIER Glycine 0 N--CA 1.497 2.729 0 O-C-N 125.219 1.575 . . . . 0.0 115.614 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 57.1 mt -91.36 149.72 40.1 Favored Pre-proline 0 N--CA 1.501 2.091 0 N-CA-C 104.49 -2.411 . . . . 0.0 104.49 -0.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -75.32 154.92 41.35 Favored 'Trans proline' 0 C--N 1.312 -1.394 0 C-N-CA 121.203 1.268 . . . . 0.0 109.528 171.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 83.9 m -89.58 162.06 15.85 Favored 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 179.903 -70.682 119.366 102.214 107.336 2.022 108.027 68.889 159.531 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -119.82 -147.66 0.4 Allowed 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 105.175 -2.157 . . . . 0.0 105.175 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 76.2 p -69.56 135.21 88.37 Favored Pre-proline 0 N--CA 1.491 1.575 0 N-CA-C 106.484 -1.672 . . . . 0.0 106.484 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -65.0 146.88 88.51 Favored 'Trans proline' 0 N--CA 1.489 1.227 0 C-N-CA 121.886 1.724 . . . . 0.0 109.155 177.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -72.26 -175.97 1.98 Allowed 'Trans proline' 0 C--N 1.314 -1.258 0 C-N-CA 123.054 2.502 . . . . 0.0 110.034 177.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -84.42 168.4 15.56 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 105.133 -2.173 . . . . 0.0 105.133 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.558 HG23 ' CD2' ' A' ' 31' ' ' TYR . 2.7 pt -119.99 173.31 6.08 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 C-N-CA 119.425 -0.91 . . . . 0.0 110.188 -179.457 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 52.8 m -61.52 120.3 10.28 Favored 'General case' 0 N--CA 1.499 2.007 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.962 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 31.73 42.82 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.397 0 O-C-N 125.213 1.57 . . . . 0.0 112.343 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -142.34 -176.93 16.93 Favored Glycine 0 N--CA 1.486 1.974 0 CA-C-N 113.406 -1.725 . . . . 0.0 111.931 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.509 ' CG2' ' H ' ' A' ' 16' ' ' VAL . 11.2 p -144.68 -177.52 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 CA-C-N 112.635 -1.783 . . . . 0.0 108.067 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.509 ' H ' ' CG2' ' A' ' 15' ' ' VAL . 46.1 t -116.34 146.23 21.05 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 N-CA-C 104.313 -2.477 . . . . 0.0 104.313 179.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -102.96 -29.58 11.32 Favored 'General case' 0 N--CA 1.504 2.237 0 CA-C-N 113.685 -1.598 . . . . 0.0 110.024 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -110.17 83.6 1.79 Allowed 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 19.4 tpp -93.77 97.17 10.24 Favored 'General case' 0 N--CA 1.494 1.727 0 CA-C-N 112.318 -2.219 . . . . 0.0 105.78 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.655 ' H ' ' HH ' ' A' ' 23' ' ' TYR . 21.9 t -98.87 -178.44 3.96 Favored 'General case' 0 N--CA 1.495 1.789 0 CA-C-N 114.429 -1.26 . . . . 0.0 109.366 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.602 ' H ' ' HG ' ' A' ' 20' ' ' SER . 32.1 t70 -110.35 -29.51 8.09 Favored 'General case' 0 N--CA 1.489 1.515 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.858 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 38.5 t -113.24 103.37 11.27 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 115.914 1.82 . . . . 0.0 115.914 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.655 ' HH ' ' H ' ' A' ' 20' ' ' SER . 85.7 m-85 -118.75 124.64 47.76 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 103.742 -2.688 . . . . 0.0 103.742 179.342 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -124.01 -86.12 0.64 Allowed 'General case' 0 N--CA 1.497 1.901 0 C-N-CA 119.531 -0.868 . . . . 0.0 110.565 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -155.22 128.69 8.43 Favored 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 94.93 40.97 4.19 Favored Glycine 0 N--CA 1.494 2.56 0 N-CA-C 107.89 -2.084 . . . . 0.0 107.89 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -126.11 159.45 32.83 Favored 'General case' 0 N--CA 1.494 1.728 0 CA-C-N 114.448 -0.876 . . . . 0.0 110.562 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -128.33 160.31 32.58 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 125.085 1.49 . . . . 0.0 107.082 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.478 HG23 ' CZ3' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -135.17 170.51 19.24 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.156 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -179.728 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 41.2 p -109.76 87.22 2.46 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 124.531 1.144 . . . . 0.0 112.382 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.558 ' CD2' HG23 ' A' ' 11' ' ' ILE . 3.9 m-30 -80.77 88.21 5.82 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 105.533 -2.025 . . . . 0.0 105.533 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.5 tttp -102.61 151.24 22.58 Favored 'General case' 0 N--CA 1.499 2.001 0 CA-C-N 114.832 -1.076 . . . . 0.0 108.673 -179.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 61.2 m -93.81 174.0 7.39 Favored 'General case' 0 N--CA 1.501 2.118 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 -179.915 -56.147 -77.914 -81.974 106.806 2.022 106.146 -69.974 -57.062 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.26 -178.76 4.71 Favored 'General case' 0 N--CA 1.498 1.942 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.93 -179.699 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -90.51 117.12 28.95 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 125.46 -4.16 8.18 Favored Glycine 0 N--CA 1.495 2.601 0 N-CA-C 108.278 -1.929 . . . . 0.0 108.278 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -117.35 130.67 56.66 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 106.901 -1.518 . . . . 0.0 106.901 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -86.71 135.27 13.12 Favored Glycine 0 N--CA 1.492 2.383 0 N-CA-C 104.501 -3.44 . . . . 0.0 104.501 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 15.3 tt -100.87 138.48 24.98 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.351 0 CA-C-O 123.258 1.504 . . . . 0.0 112.237 -179.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -132.99 136.59 46.15 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 104.082 -2.562 . . . . 0.0 104.082 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 98.56 178.12 32.52 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 106.583 -2.607 . . . . 0.0 106.583 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.507 ' HD2' ' CE1' ' A' ' 54' ' ' HIS . 50.4 Cg_exo -58.11 178.78 0.19 Allowed 'Trans proline' 0 C--N 1.31 -1.495 0 C-N-CA 123.224 2.616 . . . . 0.0 113.235 160.096 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -130.92 36.03 3.91 Favored 'General case' 0 N--CA 1.501 2.103 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.828 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.561 ' N ' HD11 ' A' ' 44' ' ' ILE . 0.1 OUTLIER -140.52 164.52 21.69 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.045 0 CA-C-O 121.598 0.713 . . . . 0.0 111.791 -179.503 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -135.8 165.79 24.8 Favored 'General case' 0 N--CA 1.496 1.849 0 CA-C-N 113.145 -1.843 . . . . 0.0 108.357 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.8 mtmt -129.07 159.66 35.24 Favored 'General case' 0 N--CA 1.505 2.32 0 O-C-N 123.952 0.782 . . . . 0.0 110.84 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.6 t -92.82 122.89 35.67 Favored 'General case' 0 N--CA 1.507 2.387 0 C-N-CA 119.877 -0.729 . . . . 0.0 110.825 179.828 159.531 68.889 102.214 108.027 2.022 107.336 119.366 -70.682 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 38.6 mt -119.57 70.08 0.84 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 125.136 1.522 . . . . 0.0 107.524 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.9 -77.91 0.28 Allowed Glycine 0 N--CA 1.488 2.1 0 CA-C-N 113.237 -1.802 . . . . 0.0 116.22 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -115.56 -30.45 6.18 Favored 'General case' 0 N--CA 1.496 1.873 0 CA-C-N 114.365 -0.918 . . . . 0.0 111.285 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 41.8 mtpt -104.61 172.61 6.7 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.478 ' CZ3' HG23 ' A' ' 29' ' ' VAL . 84.4 m95 -112.14 159.34 18.63 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 106.222 -1.769 . . . . 0.0 106.222 179.481 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.451 ' HG ' ' H ' ' A' ' 54' ' ' HIS . 8.4 t -107.54 165.59 11.3 Favored 'General case' 0 N--CA 1.499 1.985 0 CA-C-O 117.349 -1.31 . . . . 0.0 111.289 -179.33 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.596 ' C ' ' CD2' ' A' ' 54' ' ' HIS 0.272 2.6 t60 34.27 101.39 0.02 OUTLIER Pre-proline 0 N--CA 1.533 3.677 0 O-C-N 127.043 2.715 . . . . 0.0 105.75 -178.911 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.509 ' C ' ' CD2' ' A' ' 54' ' ' HIS . 0.4 OUTLIER -90.73 137.48 2.34 Favored 'Trans proline' 0 C--N 1.309 -1.51 0 C-N-CA 124.67 3.58 . . . . 0.0 116.111 150.742 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.501 ' HA ' ' NE2' ' A' ' 54' ' ' HIS . 58.5 Cg_endo -71.72 173.34 12.78 Favored 'Trans proline' 0 N--CA 1.485 1.022 0 C-N-CA 123.648 2.899 . . . . 0.0 114.067 -176.558 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 64.1 m -117.06 98.47 6.48 Favored 'General case' 0 C--N 1.309 -1.169 0 N-CA-C 103.494 -2.78 . . . . 0.0 103.494 179.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 63.4 m -101.98 80.5 2.01 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 105.908 -1.886 . . . . 0.0 105.908 -179.994 -57.062 -69.974 -81.974 106.146 2.022 106.806 -77.914 -56.147 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 13.6 pt . . . . . 0 N--CA 1.495 1.779 0 CA-C-O 115.622 -2.132 . . . . 0.0 111.296 -179.708 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 37.19 -167.41 0.01 OUTLIER Glycine 0 N--CA 1.497 2.729 0 O-C-N 125.219 1.575 . . . . 0.0 115.614 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 57.1 mt -91.36 149.72 40.1 Favored Pre-proline 0 N--CA 1.501 2.091 0 N-CA-C 104.49 -2.411 . . . . 0.0 104.49 -0.211 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -75.32 154.92 41.35 Favored 'Trans proline' 0 C--N 1.312 -1.394 0 C-N-CA 121.203 1.268 . . . . 0.0 109.528 171.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 83.9 m -89.58 162.06 15.85 Favored 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 179.903 -70.682 119.366 102.214 107.336 2.022 108.027 68.889 159.531 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -119.82 -147.66 0.4 Allowed 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 105.175 -2.157 . . . . 0.0 105.175 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 76.2 p -69.56 135.21 88.37 Favored Pre-proline 0 N--CA 1.491 1.575 0 N-CA-C 106.484 -1.672 . . . . 0.0 106.484 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -65.0 146.88 88.51 Favored 'Trans proline' 0 N--CA 1.489 1.227 0 C-N-CA 121.886 1.724 . . . . 0.0 109.155 177.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -72.26 -175.97 1.98 Allowed 'Trans proline' 0 C--N 1.314 -1.258 0 C-N-CA 123.054 2.502 . . . . 0.0 110.034 177.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -84.42 168.4 15.56 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 105.133 -2.173 . . . . 0.0 105.133 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.487 HD11 ' O ' ' A' ' 32' ' ' LYS . 2.7 pt -119.99 173.31 6.08 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 C-N-CA 119.425 -0.91 . . . . 0.0 110.188 -179.457 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 52.8 m -61.52 120.3 10.28 Favored 'General case' 0 N--CA 1.499 2.007 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.962 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 31.73 42.82 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.397 0 O-C-N 125.213 1.57 . . . . 0.0 112.343 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -142.34 -176.93 16.93 Favored Glycine 0 N--CA 1.486 1.974 0 CA-C-N 113.406 -1.725 . . . . 0.0 111.931 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.709 HG22 ' H ' ' A' ' 16' ' ' VAL . 11.2 p -144.68 -177.52 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 CA-C-N 112.635 -1.783 . . . . 0.0 108.067 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.709 ' H ' HG22 ' A' ' 15' ' ' VAL . 46.1 t -116.34 146.23 21.05 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 N-CA-C 104.313 -2.477 . . . . 0.0 104.313 179.568 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -102.96 -29.58 11.32 Favored 'General case' 0 N--CA 1.504 2.237 0 CA-C-N 113.685 -1.598 . . . . 0.0 110.024 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -110.17 83.6 1.79 Allowed 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 19.4 tpp -93.77 97.17 10.24 Favored 'General case' 0 N--CA 1.494 1.727 0 CA-C-N 112.318 -2.219 . . . . 0.0 105.78 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.9 t -98.87 -178.44 3.96 Favored 'General case' 0 N--CA 1.495 1.789 0 CA-C-N 114.429 -1.26 . . . . 0.0 109.366 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -110.35 -29.51 8.09 Favored 'General case' 0 N--CA 1.489 1.515 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.858 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 38.5 t -113.24 103.37 11.27 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 115.914 1.82 . . . . 0.0 115.914 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -118.75 124.64 47.76 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 103.742 -2.688 . . . . 0.0 103.742 179.342 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -124.01 -86.12 0.64 Allowed 'General case' 0 N--CA 1.497 1.901 0 C-N-CA 119.531 -0.868 . . . . 0.0 110.565 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -155.22 128.69 8.43 Favored 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 94.93 40.97 4.19 Favored Glycine 0 N--CA 1.494 2.56 0 N-CA-C 107.89 -2.084 . . . . 0.0 107.89 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -126.11 159.45 32.83 Favored 'General case' 0 N--CA 1.494 1.728 0 CA-C-N 114.448 -0.876 . . . . 0.0 110.562 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -128.33 160.31 32.58 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 125.085 1.49 . . . . 0.0 107.082 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.582 HG23 ' HB3' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -135.17 170.51 19.24 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.156 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -179.728 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 41.2 p -109.76 87.22 2.46 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 124.531 1.144 . . . . 0.0 112.382 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.6 ' CD2' ' HB2' ' A' ' 45' ' ' ALA . 3.9 m-30 -80.77 88.21 5.82 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 105.533 -2.025 . . . . 0.0 105.533 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.487 ' O ' HD11 ' A' ' 11' ' ' ILE . 19.5 tttp -102.61 151.24 22.58 Favored 'General case' 0 N--CA 1.499 2.001 0 CA-C-N 114.832 -1.076 . . . . 0.0 108.673 -179.165 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 61.2 m -93.81 174.0 7.39 Favored 'General case' 0 N--CA 1.501 2.118 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 -179.915 -56.147 -77.914 -81.974 106.806 2.022 106.146 -69.974 -57.062 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.26 -178.76 4.71 Favored 'General case' 0 N--CA 1.498 1.942 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.93 -179.699 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -90.51 117.12 28.95 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 125.46 -4.16 8.18 Favored Glycine 0 N--CA 1.495 2.601 0 N-CA-C 108.278 -1.929 . . . . 0.0 108.278 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -117.35 130.67 56.66 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 106.901 -1.518 . . . . 0.0 106.901 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -86.71 135.27 13.12 Favored Glycine 0 N--CA 1.492 2.383 0 N-CA-C 104.501 -3.44 . . . . 0.0 104.501 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 15.3 tt -100.87 138.48 24.98 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.351 0 CA-C-O 123.258 1.504 . . . . 0.0 112.237 -179.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -132.99 136.59 46.15 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 104.082 -2.562 . . . . 0.0 104.082 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 98.56 178.12 32.52 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 106.583 -2.607 . . . . 0.0 106.583 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.509 ' HD2' ' CE1' ' A' ' 54' ' ' HIS . 50.4 Cg_exo -58.11 178.78 0.19 Allowed 'Trans proline' 0 C--N 1.31 -1.495 0 C-N-CA 123.224 2.616 . . . . 0.0 113.235 160.096 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -130.92 36.03 3.91 Favored 'General case' 0 N--CA 1.501 2.103 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.828 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.542 ' H ' HD13 ' A' ' 44' ' ' ILE . 0.1 OUTLIER -140.52 164.52 21.69 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.045 0 CA-C-O 121.598 0.713 . . . . 0.0 111.791 -179.503 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.6 ' HB2' ' CD2' ' A' ' 31' ' ' TYR . . . -135.8 165.79 24.8 Favored 'General case' 0 N--CA 1.496 1.849 0 CA-C-N 113.145 -1.843 . . . . 0.0 108.357 179.705 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.8 mtmt -129.07 159.66 35.24 Favored 'General case' 0 N--CA 1.505 2.32 0 O-C-N 123.952 0.782 . . . . 0.0 110.84 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.6 t -92.82 122.89 35.67 Favored 'General case' 0 N--CA 1.507 2.387 0 C-N-CA 119.877 -0.729 . . . . 0.0 110.825 179.828 159.531 68.889 102.214 108.027 2.022 107.336 119.366 -70.682 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 38.6 mt -119.57 70.08 0.84 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 125.136 1.522 . . . . 0.0 107.524 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.9 -77.91 0.28 Allowed Glycine 0 N--CA 1.488 2.1 0 CA-C-N 113.237 -1.802 . . . . 0.0 116.22 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -115.56 -30.45 6.18 Favored 'General case' 0 N--CA 1.496 1.873 0 CA-C-N 114.365 -0.918 . . . . 0.0 111.285 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 41.8 mtpt -104.61 172.61 6.7 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 84.4 m95 -112.14 159.34 18.63 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 106.222 -1.769 . . . . 0.0 106.222 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.4 t -107.54 165.59 11.3 Favored 'General case' 0 N--CA 1.499 1.985 0 CA-C-O 117.349 -1.31 . . . . 0.0 111.289 -179.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.596 ' CD2' ' C ' ' A' ' 54' ' ' HIS 0.272 2.6 t60 34.27 101.39 0.02 OUTLIER Pre-proline 0 N--CA 1.533 3.677 0 O-C-N 127.043 2.715 . . . . 0.0 105.75 -178.911 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.509 ' C ' ' CD2' ' A' ' 54' ' ' HIS . 0.4 OUTLIER -90.73 137.48 2.34 Favored 'Trans proline' 0 C--N 1.309 -1.51 0 C-N-CA 124.67 3.58 . . . . 0.0 116.111 150.742 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.521 ' HA ' ' NE2' ' A' ' 54' ' ' HIS . 58.5 Cg_endo -71.72 173.34 12.78 Favored 'Trans proline' 0 N--CA 1.485 1.022 0 C-N-CA 123.648 2.899 . . . . 0.0 114.067 -176.558 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 64.1 m -117.06 98.47 6.48 Favored 'General case' 0 C--N 1.309 -1.169 0 N-CA-C 103.494 -2.78 . . . . 0.0 103.494 179.117 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 63.4 m -101.98 80.5 2.01 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 105.908 -1.886 . . . . 0.0 105.908 -179.994 -57.062 -69.974 -81.974 106.146 2.022 106.806 -77.914 -56.147 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 13.6 pt . . . . . 0 N--CA 1.495 1.779 0 CA-C-O 115.622 -2.132 . . . . 0.0 111.296 -179.708 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 37.19 -167.41 0.01 OUTLIER Glycine 0 N--CA 1.497 2.729 0 O-C-N 125.219 1.575 . . . . 0.0 115.614 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 57.1 mt -91.36 149.72 40.1 Favored Pre-proline 0 N--CA 1.501 2.091 0 N-CA-C 104.49 -2.411 . . . . 0.0 104.49 -0.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -75.32 154.92 41.35 Favored 'Trans proline' 0 C--N 1.312 -1.394 0 C-N-CA 121.203 1.268 . . . . 0.0 109.528 171.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 83.9 m -89.58 162.06 15.85 Favored 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 179.903 -70.682 119.366 102.214 107.336 2.022 108.027 68.889 159.531 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -119.82 -147.66 0.4 Allowed 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 105.175 -2.157 . . . . 0.0 105.175 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 76.2 p -69.56 135.21 88.37 Favored Pre-proline 0 N--CA 1.491 1.575 0 N-CA-C 106.484 -1.672 . . . . 0.0 106.484 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -65.0 146.88 88.51 Favored 'Trans proline' 0 N--CA 1.489 1.227 0 C-N-CA 121.886 1.724 . . . . 0.0 109.155 177.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -72.26 -175.97 1.98 Allowed 'Trans proline' 0 C--N 1.314 -1.258 0 C-N-CA 123.054 2.502 . . . . 0.0 110.034 177.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -84.42 168.4 15.56 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 105.133 -2.173 . . . . 0.0 105.133 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.487 HD11 ' O ' ' A' ' 32' ' ' LYS . 2.7 pt -119.99 173.31 6.08 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 C-N-CA 119.425 -0.91 . . . . 0.0 110.188 -179.457 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 52.8 m -61.52 120.3 10.28 Favored 'General case' 0 N--CA 1.499 2.007 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.962 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 31.73 42.82 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.397 0 O-C-N 125.213 1.57 . . . . 0.0 112.343 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -142.34 -176.93 16.93 Favored Glycine 0 N--CA 1.486 1.974 0 CA-C-N 113.406 -1.725 . . . . 0.0 111.931 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.709 HG22 ' H ' ' A' ' 16' ' ' VAL . 11.2 p -144.68 -177.52 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 CA-C-N 112.635 -1.783 . . . . 0.0 108.067 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.709 ' H ' HG22 ' A' ' 15' ' ' VAL . 46.1 t -116.34 146.23 21.05 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 N-CA-C 104.313 -2.477 . . . . 0.0 104.313 179.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -102.96 -29.58 11.32 Favored 'General case' 0 N--CA 1.504 2.237 0 CA-C-N 113.685 -1.598 . . . . 0.0 110.024 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -110.17 83.6 1.79 Allowed 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 19.4 tpp -93.77 97.17 10.24 Favored 'General case' 0 N--CA 1.494 1.727 0 CA-C-N 112.318 -2.219 . . . . 0.0 105.78 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.9 t -98.87 -178.44 3.96 Favored 'General case' 0 N--CA 1.495 1.789 0 CA-C-N 114.429 -1.26 . . . . 0.0 109.366 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -110.35 -29.51 8.09 Favored 'General case' 0 N--CA 1.489 1.515 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.858 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 38.5 t -113.24 103.37 11.27 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 115.914 1.82 . . . . 0.0 115.914 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -118.75 124.64 47.76 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 103.742 -2.688 . . . . 0.0 103.742 179.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -124.01 -86.12 0.64 Allowed 'General case' 0 N--CA 1.497 1.901 0 C-N-CA 119.531 -0.868 . . . . 0.0 110.565 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -155.22 128.69 8.43 Favored 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 94.93 40.97 4.19 Favored Glycine 0 N--CA 1.494 2.56 0 N-CA-C 107.89 -2.084 . . . . 0.0 107.89 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -126.11 159.45 32.83 Favored 'General case' 0 N--CA 1.494 1.728 0 CA-C-N 114.448 -0.876 . . . . 0.0 110.562 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -128.33 160.31 32.58 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 125.085 1.49 . . . . 0.0 107.082 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.582 HG23 ' HB3' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -135.17 170.51 19.24 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.156 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -179.728 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 41.2 p -109.76 87.22 2.46 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 124.531 1.144 . . . . 0.0 112.382 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.6 ' CD2' ' HB2' ' A' ' 45' ' ' ALA . 3.9 m-30 -80.77 88.21 5.82 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 105.533 -2.025 . . . . 0.0 105.533 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.487 ' O ' HD11 ' A' ' 11' ' ' ILE . 19.5 tttp -102.61 151.24 22.58 Favored 'General case' 0 N--CA 1.499 2.001 0 CA-C-N 114.832 -1.076 . . . . 0.0 108.673 -179.165 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 61.2 m -93.81 174.0 7.39 Favored 'General case' 0 N--CA 1.501 2.118 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 -179.915 -56.147 -77.914 -81.974 106.806 2.022 106.146 -69.974 -57.062 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.26 -178.76 4.71 Favored 'General case' 0 N--CA 1.498 1.942 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.93 -179.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -90.51 117.12 28.95 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 125.46 -4.16 8.18 Favored Glycine 0 N--CA 1.495 2.601 0 N-CA-C 108.278 -1.929 . . . . 0.0 108.278 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -117.35 130.67 56.66 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 106.901 -1.518 . . . . 0.0 106.901 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -86.71 135.27 13.12 Favored Glycine 0 N--CA 1.492 2.383 0 N-CA-C 104.501 -3.44 . . . . 0.0 104.501 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 15.3 tt -100.87 138.48 24.98 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.351 0 CA-C-O 123.258 1.504 . . . . 0.0 112.237 -179.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -132.99 136.59 46.15 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 104.082 -2.562 . . . . 0.0 104.082 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 98.56 178.12 32.52 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 106.583 -2.607 . . . . 0.0 106.583 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.509 ' HD2' ' CE1' ' A' ' 54' ' ' HIS . 50.4 Cg_exo -58.11 178.78 0.19 Allowed 'Trans proline' 0 C--N 1.31 -1.495 0 C-N-CA 123.224 2.616 . . . . 0.0 113.235 160.096 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -130.92 36.03 3.91 Favored 'General case' 0 N--CA 1.501 2.103 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.828 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.542 ' H ' HD13 ' A' ' 44' ' ' ILE . 0.1 OUTLIER -140.52 164.52 21.69 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.045 0 CA-C-O 121.598 0.713 . . . . 0.0 111.791 -179.503 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.6 ' HB2' ' CD2' ' A' ' 31' ' ' TYR . . . -135.8 165.79 24.8 Favored 'General case' 0 N--CA 1.496 1.849 0 CA-C-N 113.145 -1.843 . . . . 0.0 108.357 179.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.8 mtmt -129.07 159.66 35.24 Favored 'General case' 0 N--CA 1.505 2.32 0 O-C-N 123.952 0.782 . . . . 0.0 110.84 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.6 t -92.82 122.89 35.67 Favored 'General case' 0 N--CA 1.507 2.387 0 C-N-CA 119.877 -0.729 . . . . 0.0 110.825 179.828 159.531 68.889 102.214 108.027 2.022 107.336 119.366 -70.682 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 38.6 mt -119.57 70.08 0.84 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 125.136 1.522 . . . . 0.0 107.524 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.9 -77.91 0.28 Allowed Glycine 0 N--CA 1.488 2.1 0 CA-C-N 113.237 -1.802 . . . . 0.0 116.22 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -115.56 -30.45 6.18 Favored 'General case' 0 N--CA 1.496 1.873 0 CA-C-N 114.365 -0.918 . . . . 0.0 111.285 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 41.8 mtpt -104.61 172.61 6.7 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 84.4 m95 -112.14 159.34 18.63 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 106.222 -1.769 . . . . 0.0 106.222 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.4 t -107.54 165.59 11.3 Favored 'General case' 0 N--CA 1.499 1.985 0 CA-C-O 117.349 -1.31 . . . . 0.0 111.289 -179.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.596 ' CD2' ' C ' ' A' ' 54' ' ' HIS 0.272 2.6 t60 34.27 101.39 0.02 OUTLIER Pre-proline 0 N--CA 1.533 3.677 0 O-C-N 127.043 2.715 . . . . 0.0 105.75 -178.911 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.509 ' C ' ' CD2' ' A' ' 54' ' ' HIS . 0.4 OUTLIER -90.73 137.48 2.34 Favored 'Trans proline' 0 C--N 1.309 -1.51 0 C-N-CA 124.67 3.58 . . . . 0.0 116.111 150.742 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.521 ' HA ' ' NE2' ' A' ' 54' ' ' HIS . 58.5 Cg_endo -71.72 173.34 12.78 Favored 'Trans proline' 0 N--CA 1.485 1.022 0 C-N-CA 123.648 2.899 . . . . 0.0 114.067 -176.558 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 64.1 m -117.06 98.47 6.48 Favored 'General case' 0 C--N 1.309 -1.169 0 N-CA-C 103.494 -2.78 . . . . 0.0 103.494 179.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 63.4 m -101.98 80.5 2.01 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 105.908 -1.886 . . . . 0.0 105.908 -179.994 -57.062 -69.974 -81.974 106.146 2.022 106.806 -77.914 -56.147 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 13.6 pt . . . . . 0 N--CA 1.495 1.779 0 CA-C-O 115.622 -2.132 . . . . 0.0 111.296 -179.708 . . . . . . . . 0 0 . 1 stop_ save_