data_1hmj_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 1hmj _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 ' 10' ' ' PRO . . . . . . . . . . . . . . . . . . . . 2 CA--C 1.222 -15.087 0 N-CA-C 104.661 -2.861 . . . . 2.02 104.661 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -142.48 167.11 22.87 Favored 'General case' 2 N--CA 1.196 -13.173 0 N-CA-C 116.528 2.047 . . . . 1.6000000000000001 116.528 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . . . -147.72 129.99 15.62 Favored 'General case' 1 C--N 1.02 -13.73 0 CA-C-N 125.39 3.723 . . . . 2.2400000000000002 109.077 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . . . -130.43 114.13 15.17 Favored 'General case' 0 C--N 1.25 -3.754 0 N-CA-C 112.589 0.588 . . . . 2.46 112.589 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . . . -142.32 156.47 19.15 Favored 'Isoleucine or valine' 1 C--N 1.191 -6.29 0 CA-C-N 121.7 2.046 . . . . 2.0 111.075 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . . . -75.36 -67.97 0.32 Allowed Pre-proline 0 C--N 1.291 -1.961 0 C-N-CA 119.535 -0.866 . . . . 2.1800000000000002 110.129 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . . . -76.53 50.63 3.02 Favored 'Trans proline' 0 C--N 1.277 -3.2 0 N-CA-C 109.081 -1.161 . . . . 1.8300000000000001 109.081 178.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . . . -69.09 -11.45 60.8 Favored 'General case' 0 C--N 1.276 -2.587 0 CA-C-N 118.67 0.668 . . . . 2.0299999999999998 110.651 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -51.01 -23.58 3.07 Favored 'General case' 0 C--N 1.288 -2.079 0 C-N-CA 119.147 -1.021 . . . . 2.3100000000000001 109.733 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . . . -151.47 -36.93 0.13 Allowed 'General case' 0 C--N 1.271 -2.816 0 C-N-CA 120.379 -0.529 . . . . 1.96 110.069 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -67.35 -14.48 18.25 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.737 0 C-N-CA 119.312 -0.955 . . . . 1.48 109.576 179.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . . . -74.12 -42.27 60.29 Favored 'General case' 0 C--N 1.275 -2.633 0 C-N-CA 119.669 -0.812 . . . . 1.53 111.331 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -81.09 -23.5 38.38 Favored 'General case' 0 C--N 1.269 -2.895 0 C-N-CA 119.236 -0.985 . . . . 1.6799999999999999 111.077 -179.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -78.74 -51.12 17.66 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.943 0 C-N-CA 119.572 -0.851 . . . . 1.48 110.036 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . . . -75.61 -8.51 56.96 Favored 'General case' 0 C--N 1.251 -3.682 0 C-N-CA 119.882 -0.727 . . . . 1.01 110.535 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -111.38 -26.87 8.89 Favored 'General case' 0 C--N 1.274 -2.691 0 C-N-CA 119.512 -0.875 . . . . 1.3300000000000001 111.339 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . . . -73.74 -34.82 64.92 Favored 'General case' 0 C--N 1.277 -2.571 0 C-N-CA 118.057 -1.457 . . . . 1.54 109.406 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . . . -47.06 -39.05 12.2 Favored 'General case' 0 C--N 1.291 -1.952 0 C-N-CA 118.812 -1.155 . . . . 1.54 107.942 178.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . . . 164.61 39.48 0.0 OUTLIER 'General case' 0 C--N 1.286 -2.173 0 N-CA-C 108.781 -0.822 . . . . 1.5 108.781 178.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . . . 31.41 38.66 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.932 0 C-N-CA 120.457 -0.497 . . . . 1.3400000000000001 110.864 -179.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . . . -138.03 -167.63 2.19 Favored 'General case' 0 C--N 1.28 -2.427 0 C-N-CA 120.003 -0.679 . . . . 1.28 111.853 -179.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . . . 175.02 14.95 0.0 OUTLIER 'Isoleucine or valine' 2 C--N 0.933 -17.537 2 CA-C-N 141.936 11.244 . . . . 1.49 110.567 -179.532 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.458 ' C ' ' N ' ' A' ' 34' ' ' LEU . . . -52.46 -38.36 59.17 Favored 'General case' 2 N--CA 1.286 -8.629 0 C-N-CA 113.71 -3.196 . . . . 2.5299999999999998 115.76 179.688 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . . . -54.46 -17.55 3.27 Favored 'General case' 2 C--N 1.062 -11.907 0 C-N-CA 114.982 -2.687 . . . . 2.3300000000000001 115.192 179.247 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.458 ' N ' ' C ' ' A' ' 32' ' ' GLN . . . 172.98 102.05 0.05 OUTLIER Pre-proline 2 C--N 1.085 -10.933 0 C-N-CA 114.75 -2.78 . . . . 1.52 112.075 179.67 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . . . -82.02 34.76 0.56 Allowed 'Trans proline' 0 C--N 1.283 -2.902 0 C-N-CA 121.09 1.193 . . . . 1.4199999999999999 110.794 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . . . -148.34 144.58 27.64 Favored 'General case' 0 C--N 1.278 -2.518 0 CA-C-N 118.41 0.55 . . . . 1.54 111.613 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . . . -148.26 150.08 14.61 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.673 0 CA-C-N 118.315 0.507 . . . . 1.3400000000000001 110.805 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . . . -91.3 145.48 24.61 Favored 'General case' 0 C--N 1.267 -2.998 0 CA-C-N 118.457 0.571 . . . . 1.6200000000000001 110.772 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -73.29 1.88 8.61 Favored 'General case' 0 C--N 1.28 -2.428 0 C-N-CA 120.726 -0.39 . . . . 1.51 111.729 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . . . -90.76 3.21 54.98 Favored 'General case' 0 C--N 1.259 -3.343 0 C-N-CA 119.481 -0.888 . . . . 1.76 109.153 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . . . -68.51 136.06 90.72 Favored Pre-proline 0 C--N 1.277 -2.576 0 CA-C-N 118.315 0.507 . . . . 1.72 109.735 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . . . -70.76 -8.05 22.75 Favored 'Trans proline' 0 C--N 1.265 -3.854 0 N-CA-C 108.436 -1.409 . . . . 1.8500000000000001 108.436 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . . . -85.45 -54.69 7.98 Favored 'Isoleucine or valine' 0 CA--C 1.473 -2.013 0 C-N-CA 120.351 -0.539 . . . . 1.8400000000000001 110.258 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -62.41 -24.84 36.24 Favored 'Isoleucine or valine' 1 C--N 1.222 -4.946 0 C-N-CA 120.181 -0.608 . . . . 1.3999999999999999 109.86 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . . . -71.52 -27.37 63.15 Favored 'General case' 0 C--N 1.278 -2.521 0 C-N-CA 120.676 -0.41 . . . . 1.53 110.521 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -73.74 -19.6 60.74 Favored 'General case' 0 C--N 1.261 -3.264 0 C-N-CA 118.354 -1.339 . . . . 2.1000000000000001 109.586 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . . . -103.26 -27.11 3.28 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.603 0 C-N-CA 120.601 -0.44 . . . . 2.1499999999999999 110.103 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.9 50.99 2.36 Favored Glycine 1 C--N 1.243 -4.61 0 N-CA-C 108.381 -1.888 . . . . 2.02 108.381 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 1.152 ' C ' ' CA ' ' A' ' 50' ' ' LYS . . . -113.15 76.71 0.99 Allowed 'General case' 2 C--N 1.217 -5.188 0 CA-C-N 122.027 2.913 . . . . 2.04 109.846 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 1.152 ' CA ' ' C ' ' A' ' 49' ' ' ALA . . . -106.82 105.57 15.67 Favored 'General case' 3 C--N 0.806 -23.025 3 CA-C-N 158.282 18.673 . . . . 2.02 132.685 -179.763 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . 107.19 74.1 0.0 OUTLIER 'General case' 3 C--N 0.903 -18.835 3 N-CA-C 141.36 11.245 . . . . 2.2200000000000002 141.36 179.699 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.17 26.48 44.03 Favored Glycine 2 C--N 1.029 -16.479 0 CA-C-N 124.135 3.152 . . . . 2.1400000000000001 110.376 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . . . -89.01 145.68 25.34 Favored 'General case' 1 C--N 1.212 -5.371 0 CA-C-N 120.001 1.901 . . . . 1.8300000000000001 110.73 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . . . -112.07 149.25 14.74 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.024 0 CA-C-N 118.654 0.661 . . . . 1.8 110.542 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . . . -133.72 128.93 54.69 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.251 0 C-N-CA 120.614 -0.435 . . . . 1.5700000000000001 109.937 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . . . -109.44 139.7 44.1 Favored 'General case' 0 C--N 1.276 -2.596 0 C-N-CA 119.775 -0.77 . . . . 1.6299999999999999 110.579 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . . . -139.73 115.64 8.68 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.675 0 C-N-CA 120.321 -0.552 . . . . 1.45 110.057 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . . . -116.2 138.39 46.85 Favored 'Isoleucine or valine' 0 C--N 1.253 -3.603 0 CA-C-N 120.358 1.436 . . . . 1.3100000000000001 110.849 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . . . -136.9 142.22 42.73 Favored 'General case' 0 C--N 1.278 -2.505 0 CA-C-N 118.258 0.481 . . . . 1.48 111.571 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . . . -140.0 112.72 8.0 Favored 'General case' 2 CA--C 1.186 -13.032 0 N-CA-C 116.711 2.115 . . . . 2.0600000000000001 116.711 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.409 ' C ' ' N ' ' A' ' 63' ' ' THR . . . -139.54 133.97 16.06 Favored Pre-proline 2 N--CA 1.161 -14.91 0 CA-C-N 120.891 1.678 . . . . 2.9399999999999999 113.409 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . . . -75.15 0.41 9.0 Favored 'Trans proline' 2 C--N 1.094 -12.856 0 C-N-CA 121.513 1.475 . . . . 3.9900000000000002 113.985 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.409 ' N ' ' C ' ' A' ' 61' ' ' SER . . . -105.41 -31.88 8.81 Favored 'General case' 3 C--N 0.986 -15.212 0 C-N-CA 118.455 -1.298 . . . . 4.3499999999999996 110.425 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 1.46 ' C ' ' CA ' ' A' ' 65' ' ' GLY . . . -115.37 -23.87 8.67 Favored 'General case' 3 N--CA 1.141 -15.912 0 N-CA-C 118.108 2.633 . . . . 3.9100000000000001 118.108 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 1.46 ' CA ' ' C ' ' A' ' 64' ' ' ALA . . . 132.56 -174.2 20.52 Favored Glycine 3 C--N 0.832 -27.446 0 CA-C-N 122.614 2.461 . . . . 3.0 116.452 -179.925 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . . . -123.06 137.95 54.75 Favored 'Isoleucine or valine' 3 N--CA 1.297 -8.106 0 CA-C-N 119.48 1.64 . . . . 2.0600000000000001 109.461 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . . . -147.93 138.83 23.26 Favored 'General case' 2 C--N 1.214 -5.324 0 N-CA-C 119.235 3.05 . . . . 2.1699999999999999 119.235 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . . . -128.48 123.62 60.14 Favored 'Isoleucine or valine' 1 C--N 1.242 -4.078 0 CA-C-N 120.147 1.339 . . . . 1.99 109.975 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -137.97 162.21 34.66 Favored 'General case' 0 C--N 1.294 -1.829 0 C-N-CA 119.635 -0.826 . . . . 1.6100000000000001 110.417 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -150.32 122.96 8.57 Favored 'General case' 0 C--N 1.294 -1.836 0 C-N-CA 120.211 -0.596 . . . . 1.5 110.195 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . . . -89.74 166.78 13.36 Favored 'General case' 0 C--N 1.294 -1.847 0 C-N-CA 120.067 -0.653 . . . . 1.3899999999999999 110.696 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . . . -153.94 91.28 1.44 Allowed 'General case' 0 C--N 1.297 -1.696 0 C-N-CA 120.156 -0.618 . . . . 1.5700000000000001 111.334 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . . . -63.72 130.28 28.39 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.987 0 C-N-CA 120.068 -0.653 . . . . 1.5600000000000001 110.782 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . . . -145.12 141.27 22.89 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.269 0 C-N-CA 120.21 -0.596 . . . . 1.96 110.93 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . . . -77.99 140.61 39.2 Favored 'General case' 1 CA--C 1.403 -4.701 0 CA-C-N 118.457 0.571 . . . . 2.4199999999999999 112.142 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 1.189 ' C ' ' N ' ' A' ' 76' ' ' ARG . . . -79.0 17.55 0.73 Allowed 'General case' 3 CA--C 0.578 -36.415 3 N-CA-C 161.123 18.564 . . . . 2.9399999999999999 161.123 179.79 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.823 ' CA ' ' C ' ' A' ' 77' ' ' ILE . . . . . . . . 3 N--CA 0.588 -43.532 3 CA-C-N 147.861 13.937 . . . . 4.7800000000000002 139.112 179.861 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . . . . . . . . 2 CA--C 1.222 -15.087 0 N-CA-C 104.661 -2.861 . . . . 2.02 104.661 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -142.48 167.11 22.87 Favored 'General case' 2 N--CA 1.196 -13.173 0 N-CA-C 116.528 2.047 . . . . 1.6 116.528 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . . . -147.72 129.99 15.62 Favored 'General case' 1 C--N 1.02 -13.73 0 CA-C-N 125.39 3.723 . . . . 2.24 109.077 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . . . -130.43 114.13 15.17 Favored 'General case' 0 C--N 1.25 -3.754 0 N-CA-C 112.589 0.588 . . . . 2.46 112.589 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . . . -142.32 156.47 19.15 Favored 'Isoleucine or valine' 1 C--N 1.191 -6.29 0 CA-C-N 121.7 2.046 . . . . 2.0 111.075 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . . . -75.36 -67.97 0.32 Allowed Pre-proline 0 C--N 1.291 -1.961 0 C-N-CA 119.535 -0.866 . . . . 2.18 110.129 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . . . -76.53 50.63 3.02 Favored 'Trans proline' 0 C--N 1.277 -3.2 0 N-CA-C 109.081 -1.161 . . . . 1.83 109.081 178.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . . . -69.09 -11.45 60.8 Favored 'General case' 0 C--N 1.276 -2.587 0 CA-C-N 118.67 0.668 . . . . 2.03 110.651 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -51.01 -23.58 3.07 Favored 'General case' 0 C--N 1.288 -2.079 0 C-N-CA 119.147 -1.021 . . . . 2.31 109.733 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . . . -151.47 -36.93 0.13 Allowed 'General case' 0 C--N 1.271 -2.816 0 C-N-CA 120.379 -0.529 . . . . 1.96 110.069 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -67.35 -14.48 18.25 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.737 0 C-N-CA 119.312 -0.955 . . . . 1.48 109.576 179.345 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . . . -74.12 -42.27 60.29 Favored 'General case' 0 C--N 1.275 -2.633 0 C-N-CA 119.669 -0.812 . . . . 1.53 111.331 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -81.09 -23.5 38.38 Favored 'General case' 0 C--N 1.269 -2.895 0 C-N-CA 119.236 -0.985 . . . . 1.68 111.077 -179.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -78.74 -51.12 17.66 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.943 0 C-N-CA 119.572 -0.851 . . . . 1.48 110.036 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . . . -75.61 -8.51 56.96 Favored 'General case' 0 C--N 1.251 -3.682 0 C-N-CA 119.882 -0.727 . . . . 1.01 110.535 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -111.38 -26.87 8.89 Favored 'General case' 0 C--N 1.274 -2.691 0 C-N-CA 119.512 -0.875 . . . . 1.33 111.339 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . . . -73.74 -34.82 64.92 Favored 'General case' 0 C--N 1.277 -2.571 0 C-N-CA 118.057 -1.457 . . . . 1.54 109.406 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . . . -47.06 -39.05 12.2 Favored 'General case' 0 C--N 1.291 -1.952 0 C-N-CA 118.812 -1.155 . . . . 1.54 107.942 178.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . . . 164.61 39.48 0.0 OUTLIER 'General case' 0 C--N 1.286 -2.173 0 N-CA-C 108.781 -0.822 . . . . 1.5 108.781 178.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . . . 31.41 38.66 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.932 0 C-N-CA 120.457 -0.497 . . . . 1.34 110.864 -179.552 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . . . -138.03 -167.63 2.19 Favored 'General case' 0 C--N 1.28 -2.427 0 C-N-CA 120.003 -0.679 . . . . 1.28 111.853 -179.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . . . 175.02 14.95 0.0 OUTLIER 'Isoleucine or valine' 2 C--N 0.933 -17.537 2 CA-C-N 141.936 11.244 . . . . 1.49 110.567 -179.532 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.458 ' C ' ' N ' ' A' ' 34' ' ' LEU . . . -52.46 -38.36 59.17 Favored 'General case' 2 N--CA 1.286 -8.629 0 C-N-CA 113.71 -3.196 . . . . 2.53 115.76 179.688 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . . . -54.46 -17.55 3.27 Favored 'General case' 2 C--N 1.062 -11.907 0 C-N-CA 114.982 -2.687 . . . . 2.33 115.192 179.247 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.458 ' N ' ' C ' ' A' ' 32' ' ' GLN . . . 172.98 102.05 0.05 OUTLIER Pre-proline 2 C--N 1.085 -10.933 0 C-N-CA 114.75 -2.78 . . . . 1.52 112.075 179.67 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . . . -82.02 34.76 0.56 Allowed 'Trans proline' 0 C--N 1.283 -2.902 0 C-N-CA 121.09 1.193 . . . . 1.42 110.794 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . . . -148.34 144.58 27.64 Favored 'General case' 0 C--N 1.278 -2.518 0 CA-C-N 118.41 0.55 . . . . 1.54 111.613 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . . . -148.26 150.08 14.61 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.673 0 CA-C-N 118.315 0.507 . . . . 1.34 110.805 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . . . -91.3 145.48 24.61 Favored 'General case' 0 C--N 1.267 -2.998 0 CA-C-N 118.457 0.571 . . . . 1.62 110.772 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -73.29 1.88 8.61 Favored 'General case' 0 C--N 1.28 -2.428 0 C-N-CA 120.726 -0.39 . . . . 1.51 111.729 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . . . -90.76 3.21 54.98 Favored 'General case' 0 C--N 1.259 -3.343 0 C-N-CA 119.481 -0.888 . . . . 1.76 109.153 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . . . -68.51 136.06 90.72 Favored Pre-proline 0 C--N 1.277 -2.576 0 CA-C-N 118.315 0.507 . . . . 1.72 109.735 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . . . -70.76 -8.05 22.75 Favored 'Trans proline' 0 C--N 1.265 -3.854 0 N-CA-C 108.436 -1.409 . . . . 1.85 108.436 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . . . -85.45 -54.69 7.98 Favored 'Isoleucine or valine' 0 CA--C 1.473 -2.013 0 C-N-CA 120.351 -0.539 . . . . 1.84 110.258 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -62.41 -24.84 36.24 Favored 'Isoleucine or valine' 1 C--N 1.222 -4.946 0 C-N-CA 120.181 -0.608 . . . . 1.4 109.86 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . . . -71.52 -27.37 63.15 Favored 'General case' 0 C--N 1.278 -2.521 0 C-N-CA 120.676 -0.41 . . . . 1.53 110.521 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -73.74 -19.6 60.74 Favored 'General case' 0 C--N 1.261 -3.264 0 C-N-CA 118.354 -1.339 . . . . 2.1 109.586 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . . . -103.26 -27.11 3.28 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.603 0 C-N-CA 120.601 -0.44 . . . . 2.15 110.103 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.9 50.99 2.36 Favored Glycine 1 C--N 1.243 -4.61 0 N-CA-C 108.381 -1.888 . . . . 2.02 108.381 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 1.152 ' C ' ' CA ' ' A' ' 50' ' ' LYS . . . -113.15 76.71 0.99 Allowed 'General case' 2 C--N 1.217 -5.188 0 CA-C-N 122.027 2.913 . . . . 2.04 109.846 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 1.152 ' CA ' ' C ' ' A' ' 49' ' ' ALA . . . -106.82 105.57 15.67 Favored 'General case' 3 C--N 0.806 -23.025 3 CA-C-N 158.282 18.673 . . . . 2.02 132.685 -179.763 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . 107.19 74.1 0.0 OUTLIER 'General case' 3 C--N 0.903 -18.835 3 N-CA-C 141.36 11.245 . . . . 2.22 141.36 179.699 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.17 26.48 44.03 Favored Glycine 2 C--N 1.029 -16.479 0 CA-C-N 124.135 3.152 . . . . 2.14 110.376 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . . . -89.01 145.68 25.34 Favored 'General case' 1 C--N 1.212 -5.371 0 CA-C-N 120.001 1.901 . . . . 1.83 110.73 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . . . -112.07 149.25 14.74 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.024 0 CA-C-N 118.654 0.661 . . . . 1.8 110.542 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . . . -133.72 128.93 54.69 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.251 0 C-N-CA 120.614 -0.435 . . . . 1.57 109.937 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . . . -109.44 139.7 44.1 Favored 'General case' 0 C--N 1.276 -2.596 0 C-N-CA 119.775 -0.77 . . . . 1.63 110.579 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . . . -139.73 115.64 8.68 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.675 0 C-N-CA 120.321 -0.552 . . . . 1.45 110.057 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . . . -116.2 138.39 46.85 Favored 'Isoleucine or valine' 0 C--N 1.253 -3.603 0 CA-C-N 120.358 1.436 . . . . 1.31 110.849 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . . . -136.9 142.22 42.73 Favored 'General case' 0 C--N 1.278 -2.505 0 CA-C-N 118.258 0.481 . . . . 1.48 111.571 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . . . -140.0 112.72 8.0 Favored 'General case' 2 CA--C 1.186 -13.032 0 N-CA-C 116.711 2.115 . . . . 2.06 116.711 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.409 ' C ' ' N ' ' A' ' 63' ' ' THR . . . -139.54 133.97 16.06 Favored Pre-proline 2 N--CA 1.161 -14.91 0 CA-C-N 120.891 1.678 . . . . 2.94 113.409 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . . . -75.15 0.41 9.0 Favored 'Trans proline' 2 C--N 1.094 -12.856 0 C-N-CA 121.513 1.475 . . . . 3.99 113.985 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.409 ' N ' ' C ' ' A' ' 61' ' ' SER . . . -105.41 -31.88 8.81 Favored 'General case' 3 C--N 0.986 -15.212 0 C-N-CA 118.455 -1.298 . . . . 4.35 110.425 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 1.46 ' C ' ' CA ' ' A' ' 65' ' ' GLY . . . -115.37 -23.87 8.67 Favored 'General case' 3 N--CA 1.141 -15.912 0 N-CA-C 118.108 2.633 . . . . 3.91 118.108 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 1.46 ' CA ' ' C ' ' A' ' 64' ' ' ALA . . . 132.56 -174.2 20.52 Favored Glycine 3 C--N 0.832 -27.446 0 CA-C-N 122.614 2.461 . . . . 3.0 116.452 -179.925 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . . . -123.06 137.95 54.75 Favored 'Isoleucine or valine' 3 N--CA 1.297 -8.106 0 CA-C-N 119.48 1.64 . . . . 2.06 109.461 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . . . -147.93 138.83 23.26 Favored 'General case' 2 C--N 1.214 -5.324 0 N-CA-C 119.235 3.05 . . . . 2.17 119.235 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . . . -128.48 123.62 60.14 Favored 'Isoleucine or valine' 1 C--N 1.242 -4.078 0 CA-C-N 120.147 1.339 . . . . 1.99 109.975 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -137.97 162.21 34.66 Favored 'General case' 0 C--N 1.294 -1.829 0 C-N-CA 119.635 -0.826 . . . . 1.61 110.417 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -150.32 122.96 8.57 Favored 'General case' 0 C--N 1.294 -1.836 0 C-N-CA 120.211 -0.596 . . . . 1.5 110.195 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . . . -89.74 166.78 13.36 Favored 'General case' 0 C--N 1.294 -1.847 0 C-N-CA 120.067 -0.653 . . . . 1.39 110.696 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . . . -153.94 91.28 1.44 Allowed 'General case' 0 C--N 1.297 -1.696 0 C-N-CA 120.156 -0.618 . . . . 1.57 111.334 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . . . -63.72 130.28 28.39 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.987 0 C-N-CA 120.068 -0.653 . . . . 1.56 110.782 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . . . -145.12 141.27 22.89 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.269 0 C-N-CA 120.21 -0.596 . . . . 1.96 110.93 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . . . -77.99 140.61 39.2 Favored 'General case' 1 CA--C 1.403 -4.701 0 CA-C-N 118.457 0.571 . . . . 2.42 112.142 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 1.189 ' C ' ' N ' ' A' ' 76' ' ' ARG . . . -79.0 17.55 0.73 Allowed 'General case' 3 CA--C 0.578 -36.415 3 N-CA-C 161.123 18.564 . . . . 2.94 161.123 179.79 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.823 ' C ' ' CA ' ' A' ' 77' ' ' ILE . . . . . . . . 3 N--CA 0.588 -43.532 3 CA-C-N 147.861 13.937 . . . . 4.78 139.112 179.861 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . . . . . . . . 2 CA--C 1.222 -15.087 0 N-CA-C 104.661 -2.861 . . . . 2.02 104.661 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . . . -142.48 167.11 22.87 Favored 'General case' 2 N--CA 1.196 -13.173 0 N-CA-C 116.528 2.047 . . . . 1.6000000000000001 116.528 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . . . -147.72 129.99 15.62 Favored 'General case' 1 C--N 1.02 -13.73 0 CA-C-N 125.39 3.723 . . . . 2.2400000000000002 109.077 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . . . -130.43 114.13 15.17 Favored 'General case' 0 C--N 1.25 -3.754 0 N-CA-C 112.589 0.588 . . . . 2.46 112.589 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . . . -142.32 156.47 19.15 Favored 'Isoleucine or valine' 1 C--N 1.191 -6.29 0 CA-C-N 121.7 2.046 . . . . 2.0 111.075 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . . . -75.36 -67.97 0.32 Allowed Pre-proline 0 C--N 1.291 -1.961 0 C-N-CA 119.535 -0.866 . . . . 2.1800000000000002 110.129 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . . . -76.53 50.63 3.02 Favored 'Trans proline' 0 C--N 1.277 -3.2 0 N-CA-C 109.081 -1.161 . . . . 1.8300000000000001 109.081 178.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . . . -69.09 -11.45 60.8 Favored 'General case' 0 C--N 1.276 -2.587 0 CA-C-N 118.67 0.668 . . . . 2.0299999999999998 110.651 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . . . -51.01 -23.58 3.07 Favored 'General case' 0 C--N 1.288 -2.079 0 C-N-CA 119.147 -1.021 . . . . 2.3100000000000001 109.733 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . . . -151.47 -36.93 0.13 Allowed 'General case' 0 C--N 1.271 -2.816 0 C-N-CA 120.379 -0.529 . . . . 1.96 110.069 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -67.35 -14.48 18.25 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.737 0 C-N-CA 119.312 -0.955 . . . . 1.48 109.576 179.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . . . -74.12 -42.27 60.29 Favored 'General case' 0 C--N 1.275 -2.633 0 C-N-CA 119.669 -0.812 . . . . 1.53 111.331 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -81.09 -23.5 38.38 Favored 'General case' 0 C--N 1.269 -2.895 0 C-N-CA 119.236 -0.985 . . . . 1.6799999999999999 111.077 -179.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . . . -78.74 -51.12 17.66 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.943 0 C-N-CA 119.572 -0.851 . . . . 1.48 110.036 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . . . -75.61 -8.51 56.96 Favored 'General case' 0 C--N 1.251 -3.682 0 C-N-CA 119.882 -0.727 . . . . 1.01 110.535 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -111.38 -26.87 8.89 Favored 'General case' 0 C--N 1.274 -2.691 0 C-N-CA 119.512 -0.875 . . . . 1.3300000000000001 111.339 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . . . -73.74 -34.82 64.92 Favored 'General case' 0 C--N 1.277 -2.571 0 C-N-CA 118.057 -1.457 . . . . 1.54 109.406 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . . . -47.06 -39.05 12.2 Favored 'General case' 0 C--N 1.291 -1.952 0 C-N-CA 118.812 -1.155 . . . . 1.54 107.942 178.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . . . 164.61 39.48 0.0 OUTLIER 'General case' 0 C--N 1.286 -2.173 0 N-CA-C 108.781 -0.822 . . . . 1.5 108.781 178.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . . . 31.41 38.66 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.932 0 C-N-CA 120.457 -0.497 . . . . 1.3400000000000001 110.864 -179.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . . . -138.03 -167.63 2.19 Favored 'General case' 0 C--N 1.28 -2.427 0 C-N-CA 120.003 -0.679 . . . . 1.28 111.853 -179.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . . . 175.02 14.95 0.0 OUTLIER 'Isoleucine or valine' 2 C--N 0.933 -17.537 2 CA-C-N 141.936 11.244 . . . . 1.49 110.567 -179.532 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.458 ' C ' ' N ' ' A' ' 34' ' ' LEU . . . -52.46 -38.36 59.17 Favored 'General case' 2 N--CA 1.286 -8.629 0 C-N-CA 113.71 -3.196 . . . . 2.5299999999999998 115.76 179.688 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . . . -54.46 -17.55 3.27 Favored 'General case' 2 C--N 1.062 -11.907 0 C-N-CA 114.982 -2.687 . . . . 2.3300000000000001 115.192 179.247 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.458 ' N ' ' C ' ' A' ' 32' ' ' GLN . . . 172.98 102.05 0.05 OUTLIER Pre-proline 2 C--N 1.085 -10.933 0 C-N-CA 114.75 -2.78 . . . . 1.52 112.075 179.67 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . . . -82.02 34.76 0.56 Allowed 'Trans proline' 0 C--N 1.283 -2.902 0 C-N-CA 121.09 1.193 . . . . 1.4199999999999999 110.794 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . . . -148.34 144.58 27.64 Favored 'General case' 0 C--N 1.278 -2.518 0 CA-C-N 118.41 0.55 . . . . 1.54 111.613 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . . . -148.26 150.08 14.61 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.673 0 CA-C-N 118.315 0.507 . . . . 1.3400000000000001 110.805 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . . . -91.3 145.48 24.61 Favored 'General case' 0 C--N 1.267 -2.998 0 CA-C-N 118.457 0.571 . . . . 1.6200000000000001 110.772 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -73.29 1.88 8.61 Favored 'General case' 0 C--N 1.28 -2.428 0 C-N-CA 120.726 -0.39 . . . . 1.51 111.729 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . . . -90.76 3.21 54.98 Favored 'General case' 0 C--N 1.259 -3.343 0 C-N-CA 119.481 -0.888 . . . . 1.76 109.153 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . . . -68.51 136.06 90.72 Favored Pre-proline 0 C--N 1.277 -2.576 0 CA-C-N 118.315 0.507 . . . . 1.72 109.735 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . . . -70.76 -8.05 22.75 Favored 'Trans proline' 0 C--N 1.265 -3.854 0 N-CA-C 108.436 -1.409 . . . . 1.8500000000000001 108.436 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . . . -85.45 -54.69 7.98 Favored 'Isoleucine or valine' 0 CA--C 1.473 -2.013 0 C-N-CA 120.351 -0.539 . . . . 1.8400000000000001 110.258 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . . . -62.41 -24.84 36.24 Favored 'Isoleucine or valine' 1 C--N 1.222 -4.946 0 C-N-CA 120.181 -0.608 . . . . 1.3999999999999999 109.86 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . . . -71.52 -27.37 63.15 Favored 'General case' 0 C--N 1.278 -2.521 0 C-N-CA 120.676 -0.41 . . . . 1.53 110.521 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -73.74 -19.6 60.74 Favored 'General case' 0 C--N 1.261 -3.264 0 C-N-CA 118.354 -1.339 . . . . 2.1000000000000001 109.586 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . . . -103.26 -27.11 3.28 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.603 0 C-N-CA 120.601 -0.44 . . . . 2.1499999999999999 110.103 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.9 50.99 2.36 Favored Glycine 1 C--N 1.243 -4.61 0 N-CA-C 108.381 -1.888 . . . . 2.02 108.381 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 1.152 ' C ' ' CA ' ' A' ' 50' ' ' LYS . . . -113.15 76.71 0.99 Allowed 'General case' 2 C--N 1.217 -5.188 0 CA-C-N 122.027 2.913 . . . . 2.04 109.846 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 1.152 ' CA ' ' C ' ' A' ' 49' ' ' ALA . . . -106.82 105.57 15.67 Favored 'General case' 3 C--N 0.806 -23.025 3 CA-C-N 158.282 18.673 . . . . 2.02 132.685 -179.763 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . 107.19 74.1 0.0 OUTLIER 'General case' 3 C--N 0.903 -18.835 3 N-CA-C 141.36 11.245 . . . . 2.2200000000000002 141.36 179.699 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.17 26.48 44.03 Favored Glycine 2 C--N 1.029 -16.479 0 CA-C-N 124.135 3.152 . . . . 2.1400000000000001 110.376 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . . . -89.01 145.68 25.34 Favored 'General case' 1 C--N 1.212 -5.371 0 CA-C-N 120.001 1.901 . . . . 1.8300000000000001 110.73 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . . . -112.07 149.25 14.74 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.024 0 CA-C-N 118.654 0.661 . . . . 1.8 110.542 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . . . -133.72 128.93 54.69 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.251 0 C-N-CA 120.614 -0.435 . . . . 1.5700000000000001 109.937 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . . . -109.44 139.7 44.1 Favored 'General case' 0 C--N 1.276 -2.596 0 C-N-CA 119.775 -0.77 . . . . 1.6299999999999999 110.579 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . . . -139.73 115.64 8.68 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.675 0 C-N-CA 120.321 -0.552 . . . . 1.45 110.057 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . . . -116.2 138.39 46.85 Favored 'Isoleucine or valine' 0 C--N 1.253 -3.603 0 CA-C-N 120.358 1.436 . . . . 1.3100000000000001 110.849 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . . . -136.9 142.22 42.73 Favored 'General case' 0 C--N 1.278 -2.505 0 CA-C-N 118.258 0.481 . . . . 1.48 111.571 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . . . -140.0 112.72 8.0 Favored 'General case' 2 CA--C 1.186 -13.032 0 N-CA-C 116.711 2.115 . . . . 2.0600000000000001 116.711 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.409 ' C ' ' N ' ' A' ' 63' ' ' THR . . . -139.54 133.97 16.06 Favored Pre-proline 2 N--CA 1.161 -14.91 0 CA-C-N 120.891 1.678 . . . . 2.9399999999999999 113.409 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . . . -75.15 0.41 9.0 Favored 'Trans proline' 2 C--N 1.094 -12.856 0 C-N-CA 121.513 1.475 . . . . 3.9900000000000002 113.985 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.409 ' N ' ' C ' ' A' ' 61' ' ' SER . . . -105.41 -31.88 8.81 Favored 'General case' 3 C--N 0.986 -15.212 0 C-N-CA 118.455 -1.298 . . . . 4.3499999999999996 110.425 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 1.46 ' C ' ' CA ' ' A' ' 65' ' ' GLY . . . -115.37 -23.87 8.67 Favored 'General case' 3 N--CA 1.141 -15.912 0 N-CA-C 118.108 2.633 . . . . 3.9100000000000001 118.108 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 1.46 ' CA ' ' C ' ' A' ' 64' ' ' ALA . . . 132.56 -174.2 20.52 Favored Glycine 3 C--N 0.832 -27.446 0 CA-C-N 122.614 2.461 . . . . 3.0 116.452 -179.925 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . . . -123.06 137.95 54.75 Favored 'Isoleucine or valine' 3 N--CA 1.297 -8.106 0 CA-C-N 119.48 1.64 . . . . 2.0600000000000001 109.461 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . . . -147.93 138.83 23.26 Favored 'General case' 2 C--N 1.214 -5.324 0 N-CA-C 119.235 3.05 . . . . 2.1699999999999999 119.235 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . . . -128.48 123.62 60.14 Favored 'Isoleucine or valine' 1 C--N 1.242 -4.078 0 CA-C-N 120.147 1.339 . . . . 1.99 109.975 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -137.97 162.21 34.66 Favored 'General case' 0 C--N 1.294 -1.829 0 C-N-CA 119.635 -0.826 . . . . 1.6100000000000001 110.417 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -150.32 122.96 8.57 Favored 'General case' 0 C--N 1.294 -1.836 0 C-N-CA 120.211 -0.596 . . . . 1.5 110.195 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . . . -89.74 166.78 13.36 Favored 'General case' 0 C--N 1.294 -1.847 0 C-N-CA 120.067 -0.653 . . . . 1.3899999999999999 110.696 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . . . -153.94 91.28 1.44 Allowed 'General case' 0 C--N 1.297 -1.696 0 C-N-CA 120.156 -0.618 . . . . 1.5700000000000001 111.334 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . . . -63.72 130.28 28.39 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.987 0 C-N-CA 120.068 -0.653 . . . . 1.5600000000000001 110.782 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . . . -145.12 141.27 22.89 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.269 0 C-N-CA 120.21 -0.596 . . . . 1.96 110.93 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . . . -77.99 140.61 39.2 Favored 'General case' 1 CA--C 1.403 -4.701 0 CA-C-N 118.457 0.571 . . . . 2.4199999999999999 112.142 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 1.189 ' C ' ' N ' ' A' ' 76' ' ' ARG . . . -79.0 17.55 0.73 Allowed 'General case' 3 CA--C 0.578 -36.415 3 N-CA-C 161.123 18.564 . . . . 2.9399999999999999 161.123 179.79 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.823 ' CA ' ' C ' ' A' ' 77' ' ' ILE . . . . . . . . 3 N--CA 0.588 -43.532 3 CA-C-N 147.861 13.937 . . . . 4.7800000000000002 139.112 179.861 . . . . . . . . 3 2 . 1 stop_ save_