data_2iha_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 2iha _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 11.2 p . . . . . 0 CA--C 1.565 1.539 0 CA-C-O 122.279 1.038 . . . . 0.0 111.604 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 16.3 p -81.02 37.85 0.45 Allowed 'General case' 0 CA--C 1.575 1.935 0 N-CA-C 117.002 2.223 . . . . 0.0 117.002 177.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.4 p -153.9 -40.42 0.09 Allowed 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 115.657 1.725 . . . . 0.0 115.657 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.39 -57.62 0.66 Allowed Glycine 0 N--CA 1.496 2.654 0 CA-C-N 118.994 0.815 . . . . 0.0 114.157 -167.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -65.01 135.15 55.28 Favored 'General case' 0 N--CA 1.495 1.781 0 C-N-CA 124.048 0.939 . . . . 0.0 113.016 170.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -83.8 66.54 9.13 Favored 'General case' 0 CA--C 1.576 1.944 0 CA-C-O 123.296 1.522 . . . . 0.0 114.536 -163.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 28.4 tp -153.98 -26.25 0.13 Allowed 'General case' 0 CA--C 1.579 2.092 0 C-N-CA 125.211 1.404 . . . . 0.0 114.465 -177.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 91.5 m -58.0 -7.36 0.75 Allowed 'General case' 0 CA--C 1.571 1.779 1 N-CA-C 122.501 4.26 . . . . 0.0 122.501 -169.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.578 2.042 0 CA-C-N 120.061 1.301 . . . . 0.0 113.456 174.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 13.1 p . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.795 0.331 . . . . 0.0 110.755 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 17.4 p -92.46 50.6 1.63 Allowed 'General case' 0 CA--C 1.575 1.936 0 N-CA-C 115.426 1.639 . . . . 0.0 115.426 163.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 30.3 p -160.48 -63.07 0.06 Allowed 'General case' 0 CA--C 1.573 1.836 0 N-CA-C 115.312 1.597 . . . . 0.0 115.312 177.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.26 -74.24 0.35 Allowed Glycine 0 N--CA 1.493 2.473 0 O-C-N 120.926 -1.109 . . . . 0.0 111.499 -162.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -53.84 120.45 6.32 Favored 'General case' 0 CA--C 1.574 1.88 0 CA-C-N 118.149 0.974 . . . . 0.0 113.556 162.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -77.17 36.17 0.18 Allowed 'General case' 0 N--CA 1.504 2.243 0 N-CA-C 118.013 2.597 . . . . 0.0 118.013 -166.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 45.2 tp -94.84 -27.19 15.87 Favored 'General case' 0 CA--C 1.574 1.872 0 N-CA-C 115.685 1.735 . . . . 0.0 115.685 168.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 64.5 m -55.86 -39.28 71.27 Favored 'General case' 0 CA--C 1.57 1.716 0 N-CA-C 120.377 3.473 . . . . 0.0 120.377 -165.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 13.2 t60 . . . . . 0 CA--C 1.574 1.897 0 CA-C-N 121.278 1.854 . . . . 0.0 112.406 -172.851 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 CA--C 1.571 1.782 0 CA-C-O 122.12 0.962 . . . . 0.0 113.004 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 20.6 p -71.28 -46.71 60.24 Favored 'General case' 0 CA--C 1.57 1.712 0 N-CA-C 115.908 1.818 . . . . 0.0 115.908 171.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.1 p -81.79 -58.74 2.86 Favored 'General case' 0 CA--C 1.57 1.748 0 N-CA-C 116.024 1.861 . . . . 0.0 116.024 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.25 -76.69 0.29 Allowed Glycine 0 N--CA 1.492 2.4 0 C-N-CA 124.277 0.942 . . . . 0.0 112.205 -172.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -45.41 123.86 4.45 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 162.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 56.9 mmtt -78.98 14.85 1.24 Allowed 'General case' 0 CA--C 1.576 1.97 0 N-CA-C 118.007 2.595 . . . . 0.0 118.007 -163.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 39.0 tp -65.59 -42.95 91.14 Favored 'General case' 0 CA--C 1.576 1.946 0 O-C-N 119.778 -1.826 . . . . 0.0 115.886 158.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 84.6 m -39.82 -49.26 2.35 Favored 'General case' 0 CA--C 1.572 1.805 1 N-CA-C 123.453 4.612 . . . . 0.0 123.453 -173.607 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.5 t60 . . . . . 0 CA--C 1.577 2.012 0 CA-C-N 121.081 1.764 . . . . 0.0 113.393 -165.965 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 9.1 p . . . . . 0 CA--C 1.567 1.628 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 28.9 p -73.57 -46.42 47.4 Favored 'General case' 0 CA--C 1.572 1.802 0 N-CA-C 116.168 1.914 . . . . 0.0 116.168 173.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 18.8 p -75.3 -31.15 60.57 Favored 'General case' 0 CA--C 1.574 1.898 0 N-CA-C 118.169 2.655 . . . . 0.0 118.169 178.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.51 -65.53 0.24 Allowed Glycine 0 N--CA 1.494 2.547 0 CA-C-N 119.907 1.23 . . . . 0.0 112.941 -162.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -57.22 119.19 5.96 Favored 'General case' 0 CA--C 1.57 1.728 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 172.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -68.55 16.89 0.04 OUTLIER 'General case' 0 CA--C 1.583 2.221 0 N-CA-C 118.841 2.904 . . . . 0.0 118.841 -170.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.7 tp -87.8 -13.3 42.59 Favored 'General case' 0 CA--C 1.58 2.114 0 N-CA-C 115.916 1.821 . . . . 0.0 115.916 165.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 78.1 m -71.3 -39.14 71.64 Favored 'General case' 0 CA--C 1.569 1.68 0 N-CA-C 116.483 2.031 . . . . 0.0 116.483 -171.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.7 t60 . . . . . 0 CA--C 1.581 2.152 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -159.347 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 8.7 p . . . . . 0 N--CA 1.492 1.647 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 20.4 p -72.99 -35.33 66.84 Favored 'General case' 0 N--CA 1.5 2.071 0 N-CA-C 118.301 2.704 . . . . 0.0 118.301 177.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.2 p -93.59 -39.17 10.97 Favored 'General case' 0 CA--C 1.575 1.933 0 N-CA-C 117.256 2.317 . . . . 0.0 117.256 -178.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.7 -59.4 0.61 Allowed Glycine 0 N--CA 1.494 2.533 0 O-C-N 120.917 -1.114 . . . . 0.0 113.349 -168.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -61.65 130.85 47.83 Favored 'General case' 0 CA--C 1.568 1.652 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 167.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 64.2 mmtt -80.05 14.58 1.79 Allowed 'General case' 0 CA--C 1.585 2.291 0 N-CA-C 117.214 2.301 . . . . 0.0 117.214 -171.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 17.5 tp -73.3 -27.2 61.41 Favored 'General case' 0 CA--C 1.579 2.062 0 N-CA-C 115.883 1.808 . . . . 0.0 115.883 159.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 85.1 m -62.54 -64.09 1.03 Allowed 'General case' 0 CA--C 1.567 1.598 0 N-CA-C 116.039 1.866 . . . . 0.0 116.039 -168.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.574 1.873 0 CA-C-N 120.53 1.513 . . . . 0.0 114.599 -167.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 13.6 p . . . . . 0 N--CA 1.492 1.656 0 N-CA-C 110.576 -0.157 . . . . 0.0 110.576 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 31.7 p -64.83 -34.83 79.29 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 119.11 3.004 . . . . 0.0 119.11 -171.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.1 p -74.97 -53.85 8.23 Favored 'General case' 0 CA--C 1.572 1.79 0 N-CA-C 117.921 2.564 . . . . 0.0 117.921 175.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.15 -51.78 0.82 Allowed Glycine 0 N--CA 1.496 2.685 0 N-CA-C 115.461 0.945 . . . . 0.0 115.461 -166.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -61.35 148.08 42.64 Favored 'General case' 0 CA--C 1.571 1.762 0 C-N-CA 125.308 1.443 . . . . 0.0 113.06 163.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp -84.6 42.3 0.9 Allowed 'General case' 0 CA--C 1.582 2.199 0 N-CA-C 117.026 2.232 . . . . 0.0 117.026 -162.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 19.6 tp -135.74 -11.69 2.04 Favored 'General case' 0 N--CA 1.499 1.983 0 N-CA-C 116.379 1.992 . . . . 0.0 116.379 -176.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 71.3 m -70.85 -34.81 72.03 Favored 'General case' 0 CA--C 1.565 1.529 0 N-CA-C 118.705 2.854 . . . . 0.0 118.705 -168.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.577 2.002 0 CA-C-N 121.484 1.947 . . . . 0.0 114.834 178.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 13.5 p . . . . . 0 CA--C 1.566 1.57 0 CA-C-O 122.134 0.969 . . . . 0.0 112.418 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 18.2 p -61.39 -33.91 74.46 Favored 'General case' 0 CA--C 1.572 1.793 0 N-CA-C 117.901 2.556 . . . . 0.0 117.901 174.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.1 p -98.91 -37.76 9.28 Favored 'General case' 0 CA--C 1.574 1.867 0 N-CA-C 118.623 2.823 . . . . 0.0 118.623 -178.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.23 -53.63 0.72 Allowed Glycine 0 N--CA 1.505 3.289 0 CA-C-N 121.153 1.797 . . . . 0.0 116.24 -174.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -62.54 135.75 57.56 Favored 'General case' 0 CA--C 1.572 1.818 0 C-N-CA 124.083 0.953 . . . . 0.0 113.078 154.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.1 mmtt -83.08 28.72 0.5 Allowed 'General case' 0 CA--C 1.582 2.192 0 N-CA-C 117.053 2.242 . . . . 0.0 117.053 -171.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 58.0 tp -84.38 -41.98 16.17 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 119.534 -1.979 . . . . 0.0 114.889 165.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 61.2 m -49.72 -47.13 50.73 Favored 'General case' 0 CA--C 1.568 1.648 0 N-CA-C 119.858 3.281 . . . . 0.0 119.858 -166.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.9 t60 . . . . . 0 CA--C 1.58 2.103 0 CA-C-N 120.62 1.555 . . . . 0.0 113.481 -167.341 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 9.8 p . . . . . 0 N--CA 1.494 1.759 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 24.6 p -82.26 -54.25 5.39 Favored 'General case' 0 CA--C 1.57 1.746 0 O-C-N 120.349 -1.469 . . . . 0.0 114.585 168.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 12.1 p -76.34 -45.4 32.29 Favored 'General case' 0 CA--C 1.57 1.712 0 N-CA-C 117.631 2.456 . . . . 0.0 117.631 -174.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.16 -64.33 0.6 Allowed Glycine 0 N--CA 1.494 2.525 0 CA-C-N 118.87 0.759 . . . . 0.0 113.839 -166.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -60.27 130.6 47.45 Favored 'General case' 0 CA--C 1.572 1.826 0 N-CA-C 113.921 1.082 . . . . 0.0 113.921 169.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 58.2 mmtt -79.31 11.7 2.78 Favored 'General case' 0 CA--C 1.578 2.032 0 N-CA-C 118.653 2.835 . . . . 0.0 118.653 -166.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 17.0 tp -74.26 -18.04 60.78 Favored 'General case' 0 CA--C 1.583 2.212 0 N-CA-C 116.894 2.183 . . . . 0.0 116.894 158.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 88.9 m -61.48 -46.23 90.89 Favored 'General case' 0 CA--C 1.571 1.761 0 N-CA-C 119.231 3.048 . . . . 0.0 119.231 -175.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.579 2.069 0 CA-C-N 120.951 1.705 . . . . 0.0 113.983 -168.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . 0.274 9.2 p . . . . . 0 CA--C 1.571 1.753 0 CA-C-O 123.124 1.44 . . . . 0.0 111.485 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 28.0 p -61.47 -59.56 5.06 Favored 'General case' 0 CA--C 1.572 1.809 0 N-CA-C 116.232 1.938 . . . . 0.0 116.232 176.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 11.8 p -67.3 -70.87 0.23 Allowed 'General case' 0 CA--C 1.573 1.832 0 N-CA-C 117.321 2.341 . . . . 0.0 117.321 -167.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.57 -55.05 0.56 Allowed Glycine 0 N--CA 1.497 2.739 0 CA-C-N 118.847 0.749 . . . . 0.0 114.536 -171.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -61.97 134.47 56.68 Favored 'General case' 0 CA--C 1.573 1.846 0 CA-C-N 117.937 0.868 . . . . 0.0 112.108 159.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -90.75 22.13 3.72 Favored 'General case' 0 N--CA 1.503 2.2 0 N-CA-C 117.534 2.42 . . . . 0.0 117.534 -159.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 28.8 tp -82.97 -28.93 29.41 Favored 'General case' 0 CA--C 1.576 1.977 0 N-CA-C 115.768 1.766 . . . . 0.0 115.768 165.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 87.6 m -48.78 -43.19 37.74 Favored 'General case' 0 CA--C 1.57 1.734 0 N-CA-C 120.997 3.703 . . . . 0.0 120.997 -172.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 20.5 t60 . . . . . 0 CA--C 1.574 1.904 0 CA-C-N 120.033 1.288 . . . . 0.0 113.991 -162.89 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 CA--C 1.563 1.453 0 CA-C-O 121.737 0.78 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 26.1 p -63.5 -44.31 94.71 Favored 'General case' 0 CA--C 1.572 1.823 0 N-CA-C 118.229 2.678 . . . . 0.0 118.229 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.1 p -78.03 -69.88 0.52 Allowed 'General case' 0 CA--C 1.57 1.725 0 N-CA-C 116.554 2.057 . . . . 0.0 116.554 -166.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.98 -54.09 0.54 Allowed Glycine 0 N--CA 1.493 2.466 0 O-C-N 121.194 -0.941 . . . . 0.0 115.396 -164.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -67.67 141.98 56.51 Favored 'General case' 0 N--CA 1.498 1.971 0 CA-C-N 118.007 0.904 . . . . 0.0 112.407 157.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . 0.259 29.1 mmtp -94.01 29.31 2.16 Favored 'General case' 0 N--CA 1.502 2.135 0 N-CA-C 117.837 2.532 . . . . 0.0 117.837 -162.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 26.3 tp -93.87 -2.0 54.01 Favored 'General case' 0 CA--C 1.58 2.099 0 N-CA-C 116.614 2.079 . . . . 0.0 116.614 165.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 92.3 m -75.19 -36.9 61.41 Favored 'General case' 0 CA--C 1.565 1.531 0 N-CA-C 118.169 2.655 . . . . 0.0 118.169 -163.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 7.7 t60 . . . . . 0 CA--C 1.575 1.929 0 CA-C-N 121.009 1.731 . . . . 0.0 114.036 -169.011 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 11.2 p . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 121.816 0.817 . . . . 0.0 110.533 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.409 ' SG ' ' HB3' ' A' ' 8' ' ' CYS 0.257 25.7 p -78.31 -60.56 2.32 Favored 'General case' 0 CA--C 1.562 1.44 0 N-CA-C 115.028 1.492 . . . . 0.0 115.028 -179.778 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.2 p -74.86 3.6 7.89 Favored 'General case' 0 CA--C 1.577 1.987 0 N-CA-C 119.981 3.326 . . . . 0.0 119.981 178.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.77 -55.67 3.01 Favored Glycine 0 N--CA 1.499 2.871 0 N-CA-C 117.538 1.775 . . . . 0.0 117.538 165.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -58.45 155.72 11.58 Favored 'General case' 0 CA--C 1.572 1.799 0 C-N-CA 124.085 0.954 . . . . 0.0 113.508 162.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.72 75.04 9.65 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.388 -1.445 . . . . 0.0 113.505 -173.502 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 49.7 tp -147.2 -41.68 0.18 Allowed 'General case' 0 CA--C 1.578 2.03 0 C-N-CA 125.411 1.484 . . . . 0.0 113.223 -175.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.409 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 20.1 m -73.55 -30.21 62.93 Favored 'General case' 0 CA--C 1.558 1.263 0 N-CA-C 119.05 2.981 . . . . 0.0 119.05 -166.048 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 15.8 t60 . . . . . 0 CA--C 1.573 1.854 0 CA-C-N 120.269 1.395 . . . . 0.0 112.884 -173.135 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 11.6 p . . . . . 0 CA--C 1.564 1.495 0 CA-C-O 122.257 1.027 . . . . 0.0 110.727 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 22.8 p -68.91 -50.59 48.17 Favored 'General case' 0 CA--C 1.57 1.744 0 N-CA-C 116.783 2.142 . . . . 0.0 116.783 -177.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 12.7 p -66.48 -28.87 68.92 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 117.973 2.583 . . . . 0.0 117.973 174.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.51 -55.48 0.52 Allowed Glycine 0 N--CA 1.497 2.75 0 N-CA-C 115.695 1.038 . . . . 0.0 115.695 179.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -66.21 151.98 45.83 Favored 'General case' 0 CA--C 1.572 1.801 0 C-N-CA 124.769 1.228 . . . . 0.0 114.062 173.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.78 78.74 4.28 Favored 'General case' 0 CA--C 1.571 1.769 0 CA-C-O 123.088 1.423 . . . . 0.0 112.235 -176.759 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.4 tp -157.22 -29.72 0.09 Allowed 'General case' 0 CA--C 1.583 2.223 0 C-N-CA 125.622 1.569 . . . . 0.0 113.656 -179.181 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 77.7 m -87.95 -25.48 23.17 Favored 'General case' 0 CA--C 1.571 1.787 0 N-CA-C 120.115 3.376 . . . . 0.0 120.115 -169.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 17.9 t60 . . . . . 0 CA--C 1.578 2.024 0 CA-C-N 121.29 1.859 . . . . 0.0 113.011 -176.969 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 10.9 p . . . . . 0 CA--C 1.571 1.77 0 CA-C-O 122.288 1.042 . . . . 0.0 111.694 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 20.5 p -82.82 20.27 1.2 Allowed 'General case' 0 CA--C 1.577 1.984 0 N-CA-C 117.481 2.4 . . . . 0.0 117.481 166.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.2 p -132.29 -67.56 0.65 Allowed 'General case' 0 CA--C 1.571 1.787 0 O-C-N 120.647 -1.283 . . . . 0.0 114.064 176.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.24 -71.28 0.22 Allowed Glycine 0 N--CA 1.489 2.207 0 C-N-CA 124.399 1.0 . . . . 0.0 111.665 -176.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 53.4 t80 -59.19 134.71 57.24 Favored 'General case' 0 N--CA 1.494 1.759 0 C-N-CA 124.119 0.968 . . . . 0.0 112.412 164.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -79.8 42.63 0.55 Allowed 'General case' 0 N--CA 1.505 2.29 0 N-CA-C 117.222 2.305 . . . . 0.0 117.222 -159.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 26.4 tp -130.53 55.76 1.8 Allowed 'General case' 0 CA--C 1.568 1.666 0 O-C-N 120.56 -1.337 . . . . 0.0 111.079 -177.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 94.1 m -130.41 -44.83 1.11 Allowed 'General case' 0 CA--C 1.562 1.428 0 N-CA-C 115.887 1.81 . . . . 0.0 115.887 -171.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.583 2.239 0 CA-C-N 122.137 2.244 . . . . 0.0 114.383 -176.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 12.8 p . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 110.848 -0.056 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . 0.259 17.9 p -86.9 53.07 2.7 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 120.183 -1.573 . . . . 0.0 114.932 175.75 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 25.9 p -161.59 -64.45 0.06 Allowed 'General case' 0 CA--C 1.575 1.906 0 C-N-CA 125.351 1.461 . . . . 0.0 112.019 176.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.17 -61.26 0.47 Allowed Glycine 0 N--CA 1.496 2.64 0 O-C-N 120.611 -1.306 . . . . 0.0 114.44 -168.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -65.27 139.74 58.64 Favored 'General case' 0 CA--C 1.576 1.943 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 164.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -87.03 54.51 3.21 Favored 'General case' 0 CA--C 1.581 2.164 0 N-CA-C 116.764 2.135 . . . . 0.0 116.764 -160.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 38.2 tp -127.11 -15.8 5.19 Favored 'General case' 0 CA--C 1.588 2.439 0 N-CA-C 115.493 1.664 . . . . 0.0 115.493 173.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 84.1 m -65.39 -53.24 46.16 Favored 'General case' 0 CA--C 1.566 1.565 0 N-CA-C 118.418 2.747 . . . . 0.0 118.418 -167.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.577 2.006 0 N-CA-C 115.363 1.616 . . . . 0.0 115.363 -176.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 N--CA 1.489 1.525 0 CA-C-O 121.371 0.605 . . . . 0.0 111.775 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 30.4 p -78.11 -20.94 51.19 Favored 'General case' 0 CA--C 1.57 1.727 0 N-CA-C 118.0 2.593 . . . . 0.0 118.0 176.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 20.4 p -93.32 -32.71 14.19 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 117.459 2.392 . . . . 0.0 117.459 175.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.62 -60.54 0.41 Allowed Glycine 0 N--CA 1.496 2.667 0 CA-C-N 120.291 1.405 . . . . 0.0 114.173 -169.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -58.36 131.66 51.34 Favored 'General case' 0 CA--C 1.569 1.7 0 C-N-CA 124.183 0.993 . . . . 0.0 113.465 164.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -81.98 48.78 1.27 Allowed 'General case' 0 N--CA 1.504 2.252 0 N-CA-C 116.563 2.06 . . . . 0.0 116.563 -166.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 26.3 tp -119.43 -19.52 8.17 Favored 'General case' 0 CA--C 1.581 2.135 0 C-N-CA 126.213 1.805 . . . . 0.0 114.065 172.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 73.1 m -74.08 -20.53 60.24 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 119.536 3.161 . . . . 0.0 119.536 -166.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.574 1.902 0 CA-C-N 120.775 1.625 . . . . 0.0 113.761 -170.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 12.5 p . . . . . 0 CA--C 1.561 1.396 0 CA-C-O 121.81 0.814 . . . . 0.0 110.624 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.428 ' SG ' ' HB3' ' A' ' 8' ' ' CYS . 26.3 p -63.75 -39.7 94.93 Favored 'General case' 0 CA--C 1.574 1.885 0 N-CA-C 117.159 2.281 . . . . 0.0 117.159 176.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 30.0 p -79.19 -55.03 5.4 Favored 'General case' 0 CA--C 1.576 1.945 0 N-CA-C 117.129 2.27 . . . . 0.0 117.129 179.031 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.94 -52.23 0.82 Allowed Glycine 0 N--CA 1.498 2.823 0 O-C-N 121.099 -1.001 . . . . 0.0 113.675 -162.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -51.49 128.37 22.67 Favored 'General case' 0 CA--C 1.575 1.933 0 N-CA-C 114.858 1.429 . . . . 0.0 114.858 154.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -88.2 60.66 5.87 Favored 'General case' 0 CA--C 1.574 1.872 0 CA-C-O 122.658 1.218 . . . . 0.0 114.135 -170.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 33.4 tp -124.04 -34.45 2.97 Favored 'General case' 0 CA--C 1.58 2.122 0 C-N-CA 124.624 1.17 . . . . 0.0 113.645 159.264 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.428 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 80.2 m -48.58 -51.71 26.46 Favored 'General case' 0 CA--C 1.566 1.586 0 N-CA-C 119.416 3.117 . . . . 0.0 119.416 -158.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.584 2.254 0 N-CA-C 115.573 1.694 . . . . 0.0 115.573 -176.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 11.2 p . . . . . 0 CA--C 1.565 1.539 0 CA-C-O 122.279 1.038 . . . . 0.0 111.604 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 16.3 p -81.02 37.85 0.45 Allowed 'General case' 0 CA--C 1.575 1.935 0 N-CA-C 117.002 2.223 . . . . 0.0 117.002 177.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.4 p -153.9 -40.42 0.09 Allowed 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 115.657 1.725 . . . . 0.0 115.657 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.39 -57.62 0.66 Allowed Glycine 0 N--CA 1.496 2.654 0 CA-C-N 118.994 0.815 . . . . 0.0 114.157 -167.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -65.01 135.15 55.28 Favored 'General case' 0 N--CA 1.495 1.781 0 C-N-CA 124.048 0.939 . . . . 0.0 113.016 170.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -83.8 66.54 9.13 Favored 'General case' 0 CA--C 1.576 1.944 0 CA-C-O 123.296 1.522 . . . . 0.0 114.536 -163.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 28.4 tp -153.98 -26.25 0.13 Allowed 'General case' 0 CA--C 1.579 2.092 0 C-N-CA 125.211 1.404 . . . . 0.0 114.465 -177.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 91.5 m -58.0 -7.36 0.75 Allowed 'General case' 0 CA--C 1.571 1.779 1 N-CA-C 122.501 4.26 . . . . 0.0 122.501 -169.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -97.98 141.27 31.15 Favored 'General case' 0 CA--C 1.578 2.042 0 CA-C-N 120.061 1.301 . . . . 0.0 113.456 174.046 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.0 t -87.26 90.98 8.56 Favored 'General case' 0 CA--C 1.556 1.18 0 CA-C-O 123.874 1.797 . . . . 0.0 112.637 -164.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.371 1.506 0 CA-C-N 113.4 -1.727 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 13.1 p . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.795 0.331 . . . . 0.0 110.755 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 17.4 p -92.46 50.6 1.63 Allowed 'General case' 0 CA--C 1.575 1.936 0 N-CA-C 115.426 1.639 . . . . 0.0 115.426 163.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 30.3 p -160.48 -63.07 0.06 Allowed 'General case' 0 CA--C 1.573 1.836 0 N-CA-C 115.312 1.597 . . . . 0.0 115.312 177.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.26 -74.24 0.35 Allowed Glycine 0 N--CA 1.493 2.473 0 O-C-N 120.926 -1.109 . . . . 0.0 111.499 -162.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -53.84 120.45 6.32 Favored 'General case' 0 CA--C 1.574 1.88 0 CA-C-N 118.149 0.974 . . . . 0.0 113.556 162.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -77.17 36.17 0.18 Allowed 'General case' 0 N--CA 1.504 2.243 0 N-CA-C 118.013 2.597 . . . . 0.0 118.013 -166.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 45.2 tp -94.84 -27.19 15.87 Favored 'General case' 0 CA--C 1.574 1.872 0 N-CA-C 115.685 1.735 . . . . 0.0 115.685 168.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 64.5 m -55.86 -39.28 71.27 Favored 'General case' 0 CA--C 1.57 1.716 0 N-CA-C 120.377 3.473 . . . . 0.0 120.377 -165.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -84.56 125.79 32.74 Favored 'General case' 0 CA--C 1.574 1.897 0 CA-C-N 121.278 1.854 . . . . 0.0 112.406 -172.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.0 t -76.53 53.67 0.88 Allowed 'General case' 0 CA--C 1.563 1.478 0 CA-C-O 124.784 2.231 . . . . 0.0 115.428 -165.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.365 1.261 0 CA-C-N 112.717 -2.038 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 CA--C 1.571 1.782 0 CA-C-O 122.12 0.962 . . . . 0.0 113.004 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 20.6 p -71.28 -46.71 60.24 Favored 'General case' 0 CA--C 1.57 1.712 0 N-CA-C 115.908 1.818 . . . . 0.0 115.908 171.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.1 p -81.79 -58.74 2.86 Favored 'General case' 0 CA--C 1.57 1.748 0 N-CA-C 116.024 1.861 . . . . 0.0 116.024 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.25 -76.69 0.29 Allowed Glycine 0 N--CA 1.492 2.4 0 C-N-CA 124.277 0.942 . . . . 0.0 112.205 -172.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -45.41 123.86 4.45 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 162.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 56.9 mmtt -78.98 14.85 1.24 Allowed 'General case' 0 CA--C 1.576 1.97 0 N-CA-C 118.007 2.595 . . . . 0.0 118.007 -163.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 39.0 tp -65.59 -42.95 91.14 Favored 'General case' 0 CA--C 1.576 1.946 0 O-C-N 119.778 -1.826 . . . . 0.0 115.886 158.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 84.6 m -39.82 -49.26 2.35 Favored 'General case' 0 CA--C 1.572 1.805 1 N-CA-C 123.453 4.612 . . . . 0.0 123.453 -173.607 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -83.35 134.18 34.92 Favored 'General case' 0 CA--C 1.577 2.012 0 CA-C-N 121.081 1.764 . . . . 0.0 113.393 -165.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 52.0 t -145.43 145.27 31.06 Favored 'General case' 0 N--CA 1.486 1.367 0 CA-C-O 124.278 1.99 . . . . 0.0 111.636 -163.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.369 1.452 0 CA-C-N 113.138 -1.846 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 9.1 p . . . . . 0 CA--C 1.567 1.628 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 28.9 p -73.57 -46.42 47.4 Favored 'General case' 0 CA--C 1.572 1.802 0 N-CA-C 116.168 1.914 . . . . 0.0 116.168 173.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 18.8 p -75.3 -31.15 60.57 Favored 'General case' 0 CA--C 1.574 1.898 0 N-CA-C 118.169 2.655 . . . . 0.0 118.169 178.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.51 -65.53 0.24 Allowed Glycine 0 N--CA 1.494 2.547 0 CA-C-N 119.907 1.23 . . . . 0.0 112.941 -162.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -57.22 119.19 5.96 Favored 'General case' 0 CA--C 1.57 1.728 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 172.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -68.55 16.89 0.04 OUTLIER 'General case' 0 CA--C 1.583 2.221 0 N-CA-C 118.841 2.904 . . . . 0.0 118.841 -170.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.7 tp -87.8 -13.3 42.59 Favored 'General case' 0 CA--C 1.58 2.114 0 N-CA-C 115.916 1.821 . . . . 0.0 115.916 165.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 78.1 m -71.3 -39.14 71.64 Favored 'General case' 0 CA--C 1.569 1.68 0 N-CA-C 116.483 2.031 . . . . 0.0 116.483 -171.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -87.71 143.87 26.94 Favored 'General case' 0 CA--C 1.581 2.152 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -159.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 43.3 t -112.55 121.72 45.62 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-O 123.679 1.704 . . . . 0.0 112.127 -166.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.371 1.513 0 CA-C-N 113.499 -1.682 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 8.7 p . . . . . 0 N--CA 1.492 1.647 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 20.4 p -72.99 -35.33 66.84 Favored 'General case' 0 N--CA 1.5 2.071 0 N-CA-C 118.301 2.704 . . . . 0.0 118.301 177.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.2 p -93.59 -39.17 10.97 Favored 'General case' 0 CA--C 1.575 1.933 0 N-CA-C 117.256 2.317 . . . . 0.0 117.256 -178.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.7 -59.4 0.61 Allowed Glycine 0 N--CA 1.494 2.533 0 O-C-N 120.917 -1.114 . . . . 0.0 113.349 -168.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -61.65 130.85 47.83 Favored 'General case' 0 CA--C 1.568 1.652 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 167.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 64.2 mmtt -80.05 14.58 1.79 Allowed 'General case' 0 CA--C 1.585 2.291 0 N-CA-C 117.214 2.301 . . . . 0.0 117.214 -171.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 17.5 tp -73.3 -27.2 61.41 Favored 'General case' 0 CA--C 1.579 2.062 0 N-CA-C 115.883 1.808 . . . . 0.0 115.883 159.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 85.1 m -62.54 -64.09 1.03 Allowed 'General case' 0 CA--C 1.567 1.598 0 N-CA-C 116.039 1.866 . . . . 0.0 116.039 -168.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -70.04 133.12 46.88 Favored 'General case' 0 CA--C 1.574 1.873 0 CA-C-N 120.53 1.513 . . . . 0.0 114.599 -167.121 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.7 t -123.37 114.62 20.41 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-O 123.879 1.8 . . . . 0.0 111.105 -163.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.37 1.476 0 CA-C-N 113.208 -1.815 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 13.6 p . . . . . 0 N--CA 1.492 1.656 0 N-CA-C 110.576 -0.157 . . . . 0.0 110.576 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 31.7 p -64.83 -34.83 79.29 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 119.11 3.004 . . . . 0.0 119.11 -171.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.1 p -74.97 -53.85 8.23 Favored 'General case' 0 CA--C 1.572 1.79 0 N-CA-C 117.921 2.564 . . . . 0.0 117.921 175.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.15 -51.78 0.82 Allowed Glycine 0 N--CA 1.496 2.685 0 N-CA-C 115.461 0.945 . . . . 0.0 115.461 -166.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -61.35 148.08 42.64 Favored 'General case' 0 CA--C 1.571 1.762 0 C-N-CA 125.308 1.443 . . . . 0.0 113.06 163.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp -84.6 42.3 0.9 Allowed 'General case' 0 CA--C 1.582 2.199 0 N-CA-C 117.026 2.232 . . . . 0.0 117.026 -162.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 19.6 tp -135.74 -11.69 2.04 Favored 'General case' 0 N--CA 1.499 1.983 0 N-CA-C 116.379 1.992 . . . . 0.0 116.379 -176.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 71.3 m -70.85 -34.81 72.03 Favored 'General case' 0 CA--C 1.565 1.529 0 N-CA-C 118.705 2.854 . . . . 0.0 118.705 -168.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -79.98 137.25 36.8 Favored 'General case' 0 CA--C 1.577 2.002 0 CA-C-N 121.484 1.947 . . . . 0.0 114.834 178.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 43.7 t -95.88 94.72 7.8 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-O 124.228 1.966 . . . . 0.0 113.096 -161.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.369 1.416 0 CA-C-N 112.935 -1.939 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 13.5 p . . . . . 0 CA--C 1.566 1.57 0 CA-C-O 122.134 0.969 . . . . 0.0 112.418 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 18.2 p -61.39 -33.91 74.46 Favored 'General case' 0 CA--C 1.572 1.793 0 N-CA-C 117.901 2.556 . . . . 0.0 117.901 174.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.1 p -98.91 -37.76 9.28 Favored 'General case' 0 CA--C 1.574 1.867 0 N-CA-C 118.623 2.823 . . . . 0.0 118.623 -178.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.23 -53.63 0.72 Allowed Glycine 0 N--CA 1.505 3.289 0 CA-C-N 121.153 1.797 . . . . 0.0 116.24 -174.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -62.54 135.75 57.56 Favored 'General case' 0 CA--C 1.572 1.818 0 C-N-CA 124.083 0.953 . . . . 0.0 113.078 154.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.1 mmtt -83.08 28.72 0.5 Allowed 'General case' 0 CA--C 1.582 2.192 0 N-CA-C 117.053 2.242 . . . . 0.0 117.053 -171.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 58.0 tp -84.38 -41.98 16.17 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 119.534 -1.979 . . . . 0.0 114.889 165.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 61.2 m -49.72 -47.13 50.73 Favored 'General case' 0 CA--C 1.568 1.648 0 N-CA-C 119.858 3.281 . . . . 0.0 119.858 -166.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -75.64 133.04 40.96 Favored 'General case' 0 CA--C 1.58 2.103 0 CA-C-N 120.62 1.555 . . . . 0.0 113.481 -167.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 50.0 t -149.06 152.72 36.71 Favored 'General case' 0 N--CA 1.485 1.31 0 CA-C-O 124.335 2.016 . . . . 0.0 111.768 -155.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.368 1.391 0 CA-C-N 112.949 -1.932 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 9.8 p . . . . . 0 N--CA 1.494 1.759 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 24.6 p -82.26 -54.25 5.39 Favored 'General case' 0 CA--C 1.57 1.746 0 O-C-N 120.349 -1.469 . . . . 0.0 114.585 168.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 12.1 p -76.34 -45.4 32.29 Favored 'General case' 0 CA--C 1.57 1.712 0 N-CA-C 117.631 2.456 . . . . 0.0 117.631 -174.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.16 -64.33 0.6 Allowed Glycine 0 N--CA 1.494 2.525 0 CA-C-N 118.87 0.759 . . . . 0.0 113.839 -166.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -60.27 130.6 47.45 Favored 'General case' 0 CA--C 1.572 1.826 0 N-CA-C 113.921 1.082 . . . . 0.0 113.921 169.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 58.2 mmtt -79.31 11.7 2.78 Favored 'General case' 0 CA--C 1.578 2.032 0 N-CA-C 118.653 2.835 . . . . 0.0 118.653 -166.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 17.0 tp -74.26 -18.04 60.78 Favored 'General case' 0 CA--C 1.583 2.212 0 N-CA-C 116.894 2.183 . . . . 0.0 116.894 158.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 88.9 m -61.48 -46.23 90.89 Favored 'General case' 0 CA--C 1.571 1.761 0 N-CA-C 119.231 3.048 . . . . 0.0 119.231 -175.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -83.32 135.38 34.75 Favored 'General case' 0 CA--C 1.579 2.069 0 CA-C-N 120.951 1.705 . . . . 0.0 113.983 -168.688 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.2 t -140.17 108.4 5.79 Favored 'General case' 0 N--CA 1.487 1.396 0 CA-C-O 123.284 1.516 . . . . 0.0 111.997 -164.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.371 1.521 0 CA-C-N 113.579 -1.646 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . 0.274 9.2 p . . . . . 0 CA--C 1.571 1.753 0 CA-C-O 123.124 1.44 . . . . 0.0 111.485 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 28.0 p -61.47 -59.56 5.06 Favored 'General case' 0 CA--C 1.572 1.809 0 N-CA-C 116.232 1.938 . . . . 0.0 116.232 176.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 11.8 p -67.3 -70.87 0.23 Allowed 'General case' 0 CA--C 1.573 1.832 0 N-CA-C 117.321 2.341 . . . . 0.0 117.321 -167.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.57 -55.05 0.56 Allowed Glycine 0 N--CA 1.497 2.739 0 CA-C-N 118.847 0.749 . . . . 0.0 114.536 -171.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -61.97 134.47 56.68 Favored 'General case' 0 CA--C 1.573 1.846 0 CA-C-N 117.937 0.868 . . . . 0.0 112.108 159.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -90.75 22.13 3.72 Favored 'General case' 0 N--CA 1.503 2.2 0 N-CA-C 117.534 2.42 . . . . 0.0 117.534 -159.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 28.8 tp -82.97 -28.93 29.41 Favored 'General case' 0 CA--C 1.576 1.977 0 N-CA-C 115.768 1.766 . . . . 0.0 115.768 165.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 87.6 m -48.78 -43.19 37.74 Favored 'General case' 0 CA--C 1.57 1.734 0 N-CA-C 120.997 3.703 . . . . 0.0 120.997 -172.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 20.5 t60 -88.54 126.12 35.11 Favored 'General case' 0 CA--C 1.574 1.904 0 CA-C-N 120.033 1.288 . . . . 0.0 113.991 -162.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 53.3 t -120.11 116.24 25.28 Favored 'General case' 0 N--CA 1.488 1.475 0 CA-C-O 123.445 1.593 . . . . 0.0 110.781 -168.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.371 1.535 0 CA-C-N 113.546 -1.661 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 CA--C 1.563 1.453 0 CA-C-O 121.737 0.78 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 26.1 p -63.5 -44.31 94.71 Favored 'General case' 0 CA--C 1.572 1.823 0 N-CA-C 118.229 2.678 . . . . 0.0 118.229 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.1 p -78.03 -69.88 0.52 Allowed 'General case' 0 CA--C 1.57 1.725 0 N-CA-C 116.554 2.057 . . . . 0.0 116.554 -166.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.98 -54.09 0.54 Allowed Glycine 0 N--CA 1.493 2.466 0 O-C-N 121.194 -0.941 . . . . 0.0 115.396 -164.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -67.67 141.98 56.51 Favored 'General case' 0 N--CA 1.498 1.971 0 CA-C-N 118.007 0.904 . . . . 0.0 112.407 157.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . 0.259 29.1 mmtp -94.01 29.31 2.16 Favored 'General case' 0 N--CA 1.502 2.135 0 N-CA-C 117.837 2.532 . . . . 0.0 117.837 -162.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 26.3 tp -93.87 -2.0 54.01 Favored 'General case' 0 CA--C 1.58 2.099 0 N-CA-C 116.614 2.079 . . . . 0.0 116.614 165.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 92.3 m -75.19 -36.9 61.41 Favored 'General case' 0 CA--C 1.565 1.531 0 N-CA-C 118.169 2.655 . . . . 0.0 118.169 -163.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -89.08 128.98 35.78 Favored 'General case' 0 CA--C 1.575 1.929 0 CA-C-N 121.009 1.731 . . . . 0.0 114.036 -169.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 49.9 t -114.82 120.57 40.46 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-O 123.407 1.575 . . . . 0.0 111.288 -170.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.366 1.312 0 CA-C-N 113.31 -1.768 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 11.2 p . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 121.816 0.817 . . . . 0.0 110.533 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.409 ' SG ' ' HB3' ' A' ' 8' ' ' CYS 0.257 25.7 p -78.31 -60.56 2.32 Favored 'General case' 0 CA--C 1.562 1.44 0 N-CA-C 115.028 1.492 . . . . 0.0 115.028 -179.778 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.2 p -74.86 3.6 7.89 Favored 'General case' 0 CA--C 1.577 1.987 0 N-CA-C 119.981 3.326 . . . . 0.0 119.981 178.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.77 -55.67 3.01 Favored Glycine 0 N--CA 1.499 2.871 0 N-CA-C 117.538 1.775 . . . . 0.0 117.538 165.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -58.45 155.72 11.58 Favored 'General case' 0 CA--C 1.572 1.799 0 C-N-CA 124.085 0.954 . . . . 0.0 113.508 162.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.72 75.04 9.65 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.388 -1.445 . . . . 0.0 113.505 -173.502 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 49.7 tp -147.2 -41.68 0.18 Allowed 'General case' 0 CA--C 1.578 2.03 0 C-N-CA 125.411 1.484 . . . . 0.0 113.223 -175.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.409 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 20.1 m -73.55 -30.21 62.93 Favored 'General case' 0 CA--C 1.558 1.263 0 N-CA-C 119.05 2.981 . . . . 0.0 119.05 -166.048 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 15.8 t60 -81.83 131.44 35.26 Favored 'General case' 0 CA--C 1.573 1.854 0 CA-C-N 120.269 1.395 . . . . 0.0 112.884 -173.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.0 t -97.89 114.51 26.61 Favored 'General case' 0 CA--C 1.558 1.278 0 CA-C-O 123.416 1.579 . . . . 0.0 112.532 -168.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.37 1.494 0 CA-C-N 113.779 -1.555 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 11.6 p . . . . . 0 CA--C 1.564 1.495 0 CA-C-O 122.257 1.027 . . . . 0.0 110.727 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 22.8 p -68.91 -50.59 48.17 Favored 'General case' 0 CA--C 1.57 1.744 0 N-CA-C 116.783 2.142 . . . . 0.0 116.783 -177.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 12.7 p -66.48 -28.87 68.92 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 117.973 2.583 . . . . 0.0 117.973 174.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.51 -55.48 0.52 Allowed Glycine 0 N--CA 1.497 2.75 0 N-CA-C 115.695 1.038 . . . . 0.0 115.695 179.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -66.21 151.98 45.83 Favored 'General case' 0 CA--C 1.572 1.801 0 C-N-CA 124.769 1.228 . . . . 0.0 114.062 173.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.78 78.74 4.28 Favored 'General case' 0 CA--C 1.571 1.769 0 CA-C-O 123.088 1.423 . . . . 0.0 112.235 -176.759 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.4 tp -157.22 -29.72 0.09 Allowed 'General case' 0 CA--C 1.583 2.223 0 C-N-CA 125.622 1.569 . . . . 0.0 113.656 -179.181 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 77.7 m -87.95 -25.48 23.17 Favored 'General case' 0 CA--C 1.571 1.787 0 N-CA-C 120.115 3.376 . . . . 0.0 120.115 -169.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -84.8 131.41 34.54 Favored 'General case' 0 CA--C 1.578 2.024 0 CA-C-N 121.29 1.859 . . . . 0.0 113.011 -176.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.9 t -73.52 94.55 2.14 Favored 'General case' 0 CA--C 1.56 1.364 0 CA-C-O 124.37 2.033 . . . . 0.0 113.359 -167.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.367 1.341 0 CA-C-N 112.852 -1.976 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 10.9 p . . . . . 0 CA--C 1.571 1.77 0 CA-C-O 122.288 1.042 . . . . 0.0 111.694 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 20.5 p -82.82 20.27 1.2 Allowed 'General case' 0 CA--C 1.577 1.984 0 N-CA-C 117.481 2.4 . . . . 0.0 117.481 166.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.2 p -132.29 -67.56 0.65 Allowed 'General case' 0 CA--C 1.571 1.787 0 O-C-N 120.647 -1.283 . . . . 0.0 114.064 176.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.24 -71.28 0.22 Allowed Glycine 0 N--CA 1.489 2.207 0 C-N-CA 124.399 1.0 . . . . 0.0 111.665 -176.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 53.4 t80 -59.19 134.71 57.24 Favored 'General case' 0 N--CA 1.494 1.759 0 C-N-CA 124.119 0.968 . . . . 0.0 112.412 164.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -79.8 42.63 0.55 Allowed 'General case' 0 N--CA 1.505 2.29 0 N-CA-C 117.222 2.305 . . . . 0.0 117.222 -159.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 26.4 tp -130.53 55.76 1.8 Allowed 'General case' 0 CA--C 1.568 1.666 0 O-C-N 120.56 -1.337 . . . . 0.0 111.079 -177.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 94.1 m -130.41 -44.83 1.11 Allowed 'General case' 0 CA--C 1.562 1.428 0 N-CA-C 115.887 1.81 . . . . 0.0 115.887 -171.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -79.64 131.32 35.95 Favored 'General case' 0 CA--C 1.583 2.239 0 CA-C-N 122.137 2.244 . . . . 0.0 114.383 -176.268 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.1 t -76.26 119.09 19.68 Favored 'General case' 0 CA--C 1.559 1.293 0 CA-C-O 123.216 1.484 . . . . 0.0 112.944 -158.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.37 1.477 0 CA-C-N 113.433 -1.712 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 12.8 p . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 110.848 -0.056 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . 0.259 17.9 p -86.9 53.07 2.7 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 120.183 -1.573 . . . . 0.0 114.932 175.75 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 25.9 p -161.59 -64.45 0.06 Allowed 'General case' 0 CA--C 1.575 1.906 0 C-N-CA 125.351 1.461 . . . . 0.0 112.019 176.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.17 -61.26 0.47 Allowed Glycine 0 N--CA 1.496 2.64 0 O-C-N 120.611 -1.306 . . . . 0.0 114.44 -168.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -65.27 139.74 58.64 Favored 'General case' 0 CA--C 1.576 1.943 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 164.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -87.03 54.51 3.21 Favored 'General case' 0 CA--C 1.581 2.164 0 N-CA-C 116.764 2.135 . . . . 0.0 116.764 -160.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 38.2 tp -127.11 -15.8 5.19 Favored 'General case' 0 CA--C 1.588 2.439 0 N-CA-C 115.493 1.664 . . . . 0.0 115.493 173.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 84.1 m -65.39 -53.24 46.16 Favored 'General case' 0 CA--C 1.566 1.565 0 N-CA-C 118.418 2.747 . . . . 0.0 118.418 -167.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.54 139.34 55.6 Favored 'General case' 0 CA--C 1.577 2.006 0 N-CA-C 115.363 1.616 . . . . 0.0 115.363 -176.333 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.5 t -78.5 116.43 18.89 Favored 'General case' 0 N--CA 1.486 1.368 0 CA-C-O 123.541 1.638 . . . . 0.0 114.711 -163.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.371 1.519 0 CA-C-N 113.039 -1.892 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 N--CA 1.489 1.525 0 CA-C-O 121.371 0.605 . . . . 0.0 111.775 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 30.4 p -78.11 -20.94 51.19 Favored 'General case' 0 CA--C 1.57 1.727 0 N-CA-C 118.0 2.593 . . . . 0.0 118.0 176.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 20.4 p -93.32 -32.71 14.19 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 117.459 2.392 . . . . 0.0 117.459 175.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.62 -60.54 0.41 Allowed Glycine 0 N--CA 1.496 2.667 0 CA-C-N 120.291 1.405 . . . . 0.0 114.173 -169.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -58.36 131.66 51.34 Favored 'General case' 0 CA--C 1.569 1.7 0 C-N-CA 124.183 0.993 . . . . 0.0 113.465 164.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -81.98 48.78 1.27 Allowed 'General case' 0 N--CA 1.504 2.252 0 N-CA-C 116.563 2.06 . . . . 0.0 116.563 -166.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 26.3 tp -119.43 -19.52 8.17 Favored 'General case' 0 CA--C 1.581 2.135 0 C-N-CA 126.213 1.805 . . . . 0.0 114.065 172.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 73.1 m -74.08 -20.53 60.24 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 119.536 3.161 . . . . 0.0 119.536 -166.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -98.27 128.45 44.72 Favored 'General case' 0 CA--C 1.574 1.902 0 CA-C-N 120.775 1.625 . . . . 0.0 113.761 -170.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.9 t -72.47 88.71 1.23 Allowed 'General case' 0 N--CA 1.485 1.296 0 CA-C-O 123.836 1.779 . . . . 0.0 115.245 -165.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.372 1.553 0 CA-C-N 112.815 -1.993 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 12.5 p . . . . . 0 CA--C 1.561 1.396 0 CA-C-O 121.81 0.814 . . . . 0.0 110.624 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.428 ' SG ' ' HB3' ' A' ' 8' ' ' CYS . 26.3 p -63.75 -39.7 94.93 Favored 'General case' 0 CA--C 1.574 1.885 0 N-CA-C 117.159 2.281 . . . . 0.0 117.159 176.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 30.0 p -79.19 -55.03 5.4 Favored 'General case' 0 CA--C 1.576 1.945 0 N-CA-C 117.129 2.27 . . . . 0.0 117.129 179.031 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.94 -52.23 0.82 Allowed Glycine 0 N--CA 1.498 2.823 0 O-C-N 121.099 -1.001 . . . . 0.0 113.675 -162.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -51.49 128.37 22.67 Favored 'General case' 0 CA--C 1.575 1.933 0 N-CA-C 114.858 1.429 . . . . 0.0 114.858 154.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -88.2 60.66 5.87 Favored 'General case' 0 CA--C 1.574 1.872 0 CA-C-O 122.658 1.218 . . . . 0.0 114.135 -170.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 33.4 tp -124.04 -34.45 2.97 Favored 'General case' 0 CA--C 1.58 2.122 0 C-N-CA 124.624 1.17 . . . . 0.0 113.645 159.264 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.428 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 80.2 m -48.58 -51.71 26.46 Favored 'General case' 0 CA--C 1.566 1.586 0 N-CA-C 119.416 3.117 . . . . 0.0 119.416 -158.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -74.24 130.26 39.39 Favored 'General case' 0 CA--C 1.584 2.254 0 N-CA-C 115.573 1.694 . . . . 0.0 115.573 -176.348 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 45.2 t -108.25 113.95 27.45 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-O 123.879 1.8 . . . . 0.0 112.876 -157.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.372 1.562 0 CA-C-N 113.075 -1.875 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 11.2 p . . . . . 0 CA--C 1.565 1.539 0 CA-C-O 122.279 1.038 . . . . 0.0 111.604 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 16.3 p -81.02 37.85 0.45 Allowed 'General case' 0 CA--C 1.575 1.935 0 N-CA-C 117.002 2.223 . . . . 0.0 117.002 177.692 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.4 p -153.9 -40.42 0.09 Allowed 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 115.657 1.725 . . . . 0.0 115.657 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.39 -57.62 0.66 Allowed Glycine 0 N--CA 1.496 2.654 0 CA-C-N 118.994 0.815 . . . . 0.0 114.157 -167.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -65.01 135.15 55.28 Favored 'General case' 0 N--CA 1.495 1.781 0 C-N-CA 124.048 0.939 . . . . 0.0 113.016 170.179 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -83.8 66.54 9.13 Favored 'General case' 0 CA--C 1.576 1.944 0 CA-C-O 123.296 1.522 . . . . 0.0 114.536 -163.62 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 28.4 tp -153.98 -26.25 0.13 Allowed 'General case' 0 CA--C 1.579 2.092 0 C-N-CA 125.211 1.404 . . . . 0.0 114.465 -177.278 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 91.5 m -58.0 -7.36 0.75 Allowed 'General case' 0 CA--C 1.571 1.779 1 N-CA-C 122.501 4.26 . . . . 0.0 122.501 -169.76 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.578 2.042 0 CA-C-N 120.061 1.301 . . . . 0.0 113.456 174.046 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 13.1 p . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.795 0.331 . . . . 0.0 110.755 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 17.4 p -92.46 50.6 1.63 Allowed 'General case' 0 CA--C 1.575 1.936 0 N-CA-C 115.426 1.639 . . . . 0.0 115.426 163.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 30.3 p -160.48 -63.07 0.06 Allowed 'General case' 0 CA--C 1.573 1.836 0 N-CA-C 115.312 1.597 . . . . 0.0 115.312 177.497 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.26 -74.24 0.35 Allowed Glycine 0 N--CA 1.493 2.473 0 O-C-N 120.926 -1.109 . . . . 0.0 111.499 -162.296 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -53.84 120.45 6.32 Favored 'General case' 0 CA--C 1.574 1.88 0 CA-C-N 118.149 0.974 . . . . 0.0 113.556 162.718 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -77.17 36.17 0.18 Allowed 'General case' 0 N--CA 1.504 2.243 0 N-CA-C 118.013 2.597 . . . . 0.0 118.013 -166.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 45.2 tp -94.84 -27.19 15.87 Favored 'General case' 0 CA--C 1.574 1.872 0 N-CA-C 115.685 1.735 . . . . 0.0 115.685 168.343 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 64.5 m -55.86 -39.28 71.27 Favored 'General case' 0 CA--C 1.57 1.716 0 N-CA-C 120.377 3.473 . . . . 0.0 120.377 -165.271 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 13.2 t60 . . . . . 0 CA--C 1.574 1.897 0 CA-C-N 121.278 1.854 . . . . 0.0 112.406 -172.851 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 CA--C 1.571 1.782 0 CA-C-O 122.12 0.962 . . . . 0.0 113.004 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 20.6 p -71.28 -46.71 60.24 Favored 'General case' 0 CA--C 1.57 1.712 0 N-CA-C 115.908 1.818 . . . . 0.0 115.908 171.459 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.1 p -81.79 -58.74 2.86 Favored 'General case' 0 CA--C 1.57 1.748 0 N-CA-C 116.024 1.861 . . . . 0.0 116.024 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.25 -76.69 0.29 Allowed Glycine 0 N--CA 1.492 2.4 0 C-N-CA 124.277 0.942 . . . . 0.0 112.205 -172.401 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -45.41 123.86 4.45 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 162.451 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 56.9 mmtt -78.98 14.85 1.24 Allowed 'General case' 0 CA--C 1.576 1.97 0 N-CA-C 118.007 2.595 . . . . 0.0 118.007 -163.139 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 39.0 tp -65.59 -42.95 91.14 Favored 'General case' 0 CA--C 1.576 1.946 0 O-C-N 119.778 -1.826 . . . . 0.0 115.886 158.034 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 84.6 m -39.82 -49.26 2.35 Favored 'General case' 0 CA--C 1.572 1.805 1 N-CA-C 123.453 4.612 . . . . 0.0 123.453 -173.607 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.5 t60 . . . . . 0 CA--C 1.577 2.012 0 CA-C-N 121.081 1.764 . . . . 0.0 113.393 -165.965 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 9.1 p . . . . . 0 CA--C 1.567 1.628 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 28.9 p -73.57 -46.42 47.4 Favored 'General case' 0 CA--C 1.572 1.802 0 N-CA-C 116.168 1.914 . . . . 0.0 116.168 173.171 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 18.8 p -75.3 -31.15 60.57 Favored 'General case' 0 CA--C 1.574 1.898 0 N-CA-C 118.169 2.655 . . . . 0.0 118.169 178.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.51 -65.53 0.24 Allowed Glycine 0 N--CA 1.494 2.547 0 CA-C-N 119.907 1.23 . . . . 0.0 112.941 -162.536 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -57.22 119.19 5.96 Favored 'General case' 0 CA--C 1.57 1.728 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 172.475 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -68.55 16.89 0.04 OUTLIER 'General case' 0 CA--C 1.583 2.221 0 N-CA-C 118.841 2.904 . . . . 0.0 118.841 -170.284 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.7 tp -87.8 -13.3 42.59 Favored 'General case' 0 CA--C 1.58 2.114 0 N-CA-C 115.916 1.821 . . . . 0.0 115.916 165.348 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 78.1 m -71.3 -39.14 71.64 Favored 'General case' 0 CA--C 1.569 1.68 0 N-CA-C 116.483 2.031 . . . . 0.0 116.483 -171.192 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.7 t60 . . . . . 0 CA--C 1.581 2.152 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -159.347 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 8.7 p . . . . . 0 N--CA 1.492 1.647 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 20.4 p -72.99 -35.33 66.84 Favored 'General case' 0 N--CA 1.5 2.071 0 N-CA-C 118.301 2.704 . . . . 0.0 118.301 177.64 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.2 p -93.59 -39.17 10.97 Favored 'General case' 0 CA--C 1.575 1.933 0 N-CA-C 117.256 2.317 . . . . 0.0 117.256 -178.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.7 -59.4 0.61 Allowed Glycine 0 N--CA 1.494 2.533 0 O-C-N 120.917 -1.114 . . . . 0.0 113.349 -168.143 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -61.65 130.85 47.83 Favored 'General case' 0 CA--C 1.568 1.652 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 167.542 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 64.2 mmtt -80.05 14.58 1.79 Allowed 'General case' 0 CA--C 1.585 2.291 0 N-CA-C 117.214 2.301 . . . . 0.0 117.214 -171.235 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 17.5 tp -73.3 -27.2 61.41 Favored 'General case' 0 CA--C 1.579 2.062 0 N-CA-C 115.883 1.808 . . . . 0.0 115.883 159.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 85.1 m -62.54 -64.09 1.03 Allowed 'General case' 0 CA--C 1.567 1.598 0 N-CA-C 116.039 1.866 . . . . 0.0 116.039 -168.398 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.574 1.873 0 CA-C-N 120.53 1.513 . . . . 0.0 114.599 -167.121 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 13.6 p . . . . . 0 N--CA 1.492 1.656 0 N-CA-C 110.576 -0.157 . . . . 0.0 110.576 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 31.7 p -64.83 -34.83 79.29 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 119.11 3.004 . . . . 0.0 119.11 -171.268 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.1 p -74.97 -53.85 8.23 Favored 'General case' 0 CA--C 1.572 1.79 0 N-CA-C 117.921 2.564 . . . . 0.0 117.921 175.28 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.15 -51.78 0.82 Allowed Glycine 0 N--CA 1.496 2.685 0 N-CA-C 115.461 0.945 . . . . 0.0 115.461 -166.59 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -61.35 148.08 42.64 Favored 'General case' 0 CA--C 1.571 1.762 0 C-N-CA 125.308 1.443 . . . . 0.0 113.06 163.211 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp -84.6 42.3 0.9 Allowed 'General case' 0 CA--C 1.582 2.199 0 N-CA-C 117.026 2.232 . . . . 0.0 117.026 -162.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 19.6 tp -135.74 -11.69 2.04 Favored 'General case' 0 N--CA 1.499 1.983 0 N-CA-C 116.379 1.992 . . . . 0.0 116.379 -176.089 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 71.3 m -70.85 -34.81 72.03 Favored 'General case' 0 CA--C 1.565 1.529 0 N-CA-C 118.705 2.854 . . . . 0.0 118.705 -168.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.577 2.002 0 CA-C-N 121.484 1.947 . . . . 0.0 114.834 178.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 13.5 p . . . . . 0 CA--C 1.566 1.57 0 CA-C-O 122.134 0.969 . . . . 0.0 112.418 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 18.2 p -61.39 -33.91 74.46 Favored 'General case' 0 CA--C 1.572 1.793 0 N-CA-C 117.901 2.556 . . . . 0.0 117.901 174.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.1 p -98.91 -37.76 9.28 Favored 'General case' 0 CA--C 1.574 1.867 0 N-CA-C 118.623 2.823 . . . . 0.0 118.623 -178.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.23 -53.63 0.72 Allowed Glycine 0 N--CA 1.505 3.289 0 CA-C-N 121.153 1.797 . . . . 0.0 116.24 -174.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -62.54 135.75 57.56 Favored 'General case' 0 CA--C 1.572 1.818 0 C-N-CA 124.083 0.953 . . . . 0.0 113.078 154.532 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.1 mmtt -83.08 28.72 0.5 Allowed 'General case' 0 CA--C 1.582 2.192 0 N-CA-C 117.053 2.242 . . . . 0.0 117.053 -171.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 58.0 tp -84.38 -41.98 16.17 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 119.534 -1.979 . . . . 0.0 114.889 165.38 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 61.2 m -49.72 -47.13 50.73 Favored 'General case' 0 CA--C 1.568 1.648 0 N-CA-C 119.858 3.281 . . . . 0.0 119.858 -166.336 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.9 t60 . . . . . 0 CA--C 1.58 2.103 0 CA-C-N 120.62 1.555 . . . . 0.0 113.481 -167.341 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 9.8 p . . . . . 0 N--CA 1.494 1.759 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 24.6 p -82.26 -54.25 5.39 Favored 'General case' 0 CA--C 1.57 1.746 0 O-C-N 120.349 -1.469 . . . . 0.0 114.585 168.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 12.1 p -76.34 -45.4 32.29 Favored 'General case' 0 CA--C 1.57 1.712 0 N-CA-C 117.631 2.456 . . . . 0.0 117.631 -174.221 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.16 -64.33 0.6 Allowed Glycine 0 N--CA 1.494 2.525 0 CA-C-N 118.87 0.759 . . . . 0.0 113.839 -166.515 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -60.27 130.6 47.45 Favored 'General case' 0 CA--C 1.572 1.826 0 N-CA-C 113.921 1.082 . . . . 0.0 113.921 169.402 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 58.2 mmtt -79.31 11.7 2.78 Favored 'General case' 0 CA--C 1.578 2.032 0 N-CA-C 118.653 2.835 . . . . 0.0 118.653 -166.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 17.0 tp -74.26 -18.04 60.78 Favored 'General case' 0 CA--C 1.583 2.212 0 N-CA-C 116.894 2.183 . . . . 0.0 116.894 158.407 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 88.9 m -61.48 -46.23 90.89 Favored 'General case' 0 CA--C 1.571 1.761 0 N-CA-C 119.231 3.048 . . . . 0.0 119.231 -175.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.579 2.069 0 CA-C-N 120.951 1.705 . . . . 0.0 113.983 -168.688 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . 0.274 9.2 p . . . . . 0 CA--C 1.571 1.753 0 CA-C-O 123.124 1.44 . . . . 0.0 111.485 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 28.0 p -61.47 -59.56 5.06 Favored 'General case' 0 CA--C 1.572 1.809 0 N-CA-C 116.232 1.938 . . . . 0.0 116.232 176.712 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 11.8 p -67.3 -70.87 0.23 Allowed 'General case' 0 CA--C 1.573 1.832 0 N-CA-C 117.321 2.341 . . . . 0.0 117.321 -167.629 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.57 -55.05 0.56 Allowed Glycine 0 N--CA 1.497 2.739 0 CA-C-N 118.847 0.749 . . . . 0.0 114.536 -171.454 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -61.97 134.47 56.68 Favored 'General case' 0 CA--C 1.573 1.846 0 CA-C-N 117.937 0.868 . . . . 0.0 112.108 159.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -90.75 22.13 3.72 Favored 'General case' 0 N--CA 1.503 2.2 0 N-CA-C 117.534 2.42 . . . . 0.0 117.534 -159.409 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 28.8 tp -82.97 -28.93 29.41 Favored 'General case' 0 CA--C 1.576 1.977 0 N-CA-C 115.768 1.766 . . . . 0.0 115.768 165.626 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 87.6 m -48.78 -43.19 37.74 Favored 'General case' 0 CA--C 1.57 1.734 0 N-CA-C 120.997 3.703 . . . . 0.0 120.997 -172.012 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 20.5 t60 . . . . . 0 CA--C 1.574 1.904 0 CA-C-N 120.033 1.288 . . . . 0.0 113.991 -162.89 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 CA--C 1.563 1.453 0 CA-C-O 121.737 0.78 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 26.1 p -63.5 -44.31 94.71 Favored 'General case' 0 CA--C 1.572 1.823 0 N-CA-C 118.229 2.678 . . . . 0.0 118.229 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.1 p -78.03 -69.88 0.52 Allowed 'General case' 0 CA--C 1.57 1.725 0 N-CA-C 116.554 2.057 . . . . 0.0 116.554 -166.246 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.98 -54.09 0.54 Allowed Glycine 0 N--CA 1.493 2.466 0 O-C-N 121.194 -0.941 . . . . 0.0 115.396 -164.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -67.67 141.98 56.51 Favored 'General case' 0 N--CA 1.498 1.971 0 CA-C-N 118.007 0.904 . . . . 0.0 112.407 157.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . 0.259 29.1 mmtp -94.01 29.31 2.16 Favored 'General case' 0 N--CA 1.502 2.135 0 N-CA-C 117.837 2.532 . . . . 0.0 117.837 -162.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 26.3 tp -93.87 -2.0 54.01 Favored 'General case' 0 CA--C 1.58 2.099 0 N-CA-C 116.614 2.079 . . . . 0.0 116.614 165.216 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 92.3 m -75.19 -36.9 61.41 Favored 'General case' 0 CA--C 1.565 1.531 0 N-CA-C 118.169 2.655 . . . . 0.0 118.169 -163.223 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 7.7 t60 . . . . . 0 CA--C 1.575 1.929 0 CA-C-N 121.009 1.731 . . . . 0.0 114.036 -169.011 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 11.2 p . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 121.816 0.817 . . . . 0.0 110.533 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . 0.257 25.7 p -78.31 -60.56 2.32 Favored 'General case' 0 CA--C 1.562 1.44 0 N-CA-C 115.028 1.492 . . . . 0.0 115.028 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.2 p -74.86 3.6 7.89 Favored 'General case' 0 CA--C 1.577 1.987 0 N-CA-C 119.981 3.326 . . . . 0.0 119.981 178.629 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.77 -55.67 3.01 Favored Glycine 0 N--CA 1.499 2.871 0 N-CA-C 117.538 1.775 . . . . 0.0 117.538 165.177 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -58.45 155.72 11.58 Favored 'General case' 0 CA--C 1.572 1.799 0 C-N-CA 124.085 0.954 . . . . 0.0 113.508 162.16 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.72 75.04 9.65 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.388 -1.445 . . . . 0.0 113.505 -173.502 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 49.7 tp -147.2 -41.68 0.18 Allowed 'General case' 0 CA--C 1.578 2.03 0 C-N-CA 125.411 1.484 . . . . 0.0 113.223 -175.664 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 20.1 m -73.55 -30.21 62.93 Favored 'General case' 0 CA--C 1.558 1.263 0 N-CA-C 119.05 2.981 . . . . 0.0 119.05 -166.048 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 15.8 t60 . . . . . 0 CA--C 1.573 1.854 0 CA-C-N 120.269 1.395 . . . . 0.0 112.884 -173.135 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 11.6 p . . . . . 0 CA--C 1.564 1.495 0 CA-C-O 122.257 1.027 . . . . 0.0 110.727 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 22.8 p -68.91 -50.59 48.17 Favored 'General case' 0 CA--C 1.57 1.744 0 N-CA-C 116.783 2.142 . . . . 0.0 116.783 -177.338 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 12.7 p -66.48 -28.87 68.92 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 117.973 2.583 . . . . 0.0 117.973 174.563 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.51 -55.48 0.52 Allowed Glycine 0 N--CA 1.497 2.75 0 N-CA-C 115.695 1.038 . . . . 0.0 115.695 179.35 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -66.21 151.98 45.83 Favored 'General case' 0 CA--C 1.572 1.801 0 C-N-CA 124.769 1.228 . . . . 0.0 114.062 173.57 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.78 78.74 4.28 Favored 'General case' 0 CA--C 1.571 1.769 0 CA-C-O 123.088 1.423 . . . . 0.0 112.235 -176.759 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.4 tp -157.22 -29.72 0.09 Allowed 'General case' 0 CA--C 1.583 2.223 0 C-N-CA 125.622 1.569 . . . . 0.0 113.656 -179.181 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 77.7 m -87.95 -25.48 23.17 Favored 'General case' 0 CA--C 1.571 1.787 0 N-CA-C 120.115 3.376 . . . . 0.0 120.115 -169.619 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 17.9 t60 . . . . . 0 CA--C 1.578 2.024 0 CA-C-N 121.29 1.859 . . . . 0.0 113.011 -176.969 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 10.9 p . . . . . 0 CA--C 1.571 1.77 0 CA-C-O 122.288 1.042 . . . . 0.0 111.694 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 20.5 p -82.82 20.27 1.2 Allowed 'General case' 0 CA--C 1.577 1.984 0 N-CA-C 117.481 2.4 . . . . 0.0 117.481 166.771 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.2 p -132.29 -67.56 0.65 Allowed 'General case' 0 CA--C 1.571 1.787 0 O-C-N 120.647 -1.283 . . . . 0.0 114.064 176.19 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.24 -71.28 0.22 Allowed Glycine 0 N--CA 1.489 2.207 0 C-N-CA 124.399 1.0 . . . . 0.0 111.665 -176.406 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 53.4 t80 -59.19 134.71 57.24 Favored 'General case' 0 N--CA 1.494 1.759 0 C-N-CA 124.119 0.968 . . . . 0.0 112.412 164.766 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -79.8 42.63 0.55 Allowed 'General case' 0 N--CA 1.505 2.29 0 N-CA-C 117.222 2.305 . . . . 0.0 117.222 -159.157 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 26.4 tp -130.53 55.76 1.8 Allowed 'General case' 0 CA--C 1.568 1.666 0 O-C-N 120.56 -1.337 . . . . 0.0 111.079 -177.618 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 94.1 m -130.41 -44.83 1.11 Allowed 'General case' 0 CA--C 1.562 1.428 0 N-CA-C 115.887 1.81 . . . . 0.0 115.887 -171.12 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.583 2.239 0 CA-C-N 122.137 2.244 . . . . 0.0 114.383 -176.268 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 12.8 p . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 110.848 -0.056 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . 0.259 17.9 p -86.9 53.07 2.7 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 120.183 -1.573 . . . . 0.0 114.932 175.75 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 25.9 p -161.59 -64.45 0.06 Allowed 'General case' 0 CA--C 1.575 1.906 0 C-N-CA 125.351 1.461 . . . . 0.0 112.019 176.463 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.17 -61.26 0.47 Allowed Glycine 0 N--CA 1.496 2.64 0 O-C-N 120.611 -1.306 . . . . 0.0 114.44 -168.455 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -65.27 139.74 58.64 Favored 'General case' 0 CA--C 1.576 1.943 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 164.418 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -87.03 54.51 3.21 Favored 'General case' 0 CA--C 1.581 2.164 0 N-CA-C 116.764 2.135 . . . . 0.0 116.764 -160.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 38.2 tp -127.11 -15.8 5.19 Favored 'General case' 0 CA--C 1.588 2.439 0 N-CA-C 115.493 1.664 . . . . 0.0 115.493 173.219 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 84.1 m -65.39 -53.24 46.16 Favored 'General case' 0 CA--C 1.566 1.565 0 N-CA-C 118.418 2.747 . . . . 0.0 118.418 -167.216 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.577 2.006 0 N-CA-C 115.363 1.616 . . . . 0.0 115.363 -176.333 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 N--CA 1.489 1.525 0 CA-C-O 121.371 0.605 . . . . 0.0 111.775 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 30.4 p -78.11 -20.94 51.19 Favored 'General case' 0 CA--C 1.57 1.727 0 N-CA-C 118.0 2.593 . . . . 0.0 118.0 176.735 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 20.4 p -93.32 -32.71 14.19 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 117.459 2.392 . . . . 0.0 117.459 175.552 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.62 -60.54 0.41 Allowed Glycine 0 N--CA 1.496 2.667 0 CA-C-N 120.291 1.405 . . . . 0.0 114.173 -169.723 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -58.36 131.66 51.34 Favored 'General case' 0 CA--C 1.569 1.7 0 C-N-CA 124.183 0.993 . . . . 0.0 113.465 164.456 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -81.98 48.78 1.27 Allowed 'General case' 0 N--CA 1.504 2.252 0 N-CA-C 116.563 2.06 . . . . 0.0 116.563 -166.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 26.3 tp -119.43 -19.52 8.17 Favored 'General case' 0 CA--C 1.581 2.135 0 C-N-CA 126.213 1.805 . . . . 0.0 114.065 172.436 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 73.1 m -74.08 -20.53 60.24 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 119.536 3.161 . . . . 0.0 119.536 -166.026 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.574 1.902 0 CA-C-N 120.775 1.625 . . . . 0.0 113.761 -170.757 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 12.5 p . . . . . 0 CA--C 1.561 1.396 0 CA-C-O 121.81 0.814 . . . . 0.0 110.624 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.42 ' SG ' ' HB3' ' A' ' 8' ' ' CYS . 26.3 p -63.75 -39.7 94.93 Favored 'General case' 0 CA--C 1.574 1.885 0 N-CA-C 117.159 2.281 . . . . 0.0 117.159 176.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 30.0 p -79.19 -55.03 5.4 Favored 'General case' 0 CA--C 1.576 1.945 0 N-CA-C 117.129 2.27 . . . . 0.0 117.129 179.031 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.94 -52.23 0.82 Allowed Glycine 0 N--CA 1.498 2.823 0 O-C-N 121.099 -1.001 . . . . 0.0 113.675 -162.217 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -51.49 128.37 22.67 Favored 'General case' 0 CA--C 1.575 1.933 0 N-CA-C 114.858 1.429 . . . . 0.0 114.858 154.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -88.2 60.66 5.87 Favored 'General case' 0 CA--C 1.574 1.872 0 CA-C-O 122.658 1.218 . . . . 0.0 114.135 -170.414 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 33.4 tp -124.04 -34.45 2.97 Favored 'General case' 0 CA--C 1.58 2.122 0 C-N-CA 124.624 1.17 . . . . 0.0 113.645 159.264 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.42 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 80.2 m -48.58 -51.71 26.46 Favored 'General case' 0 CA--C 1.566 1.586 0 N-CA-C 119.416 3.117 . . . . 0.0 119.416 -158.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.584 2.254 0 N-CA-C 115.573 1.694 . . . . 0.0 115.573 -176.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 11.2 p . . . . . 0 CA--C 1.565 1.539 0 CA-C-O 122.279 1.038 . . . . 0.0 111.604 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 16.3 p -81.02 37.85 0.45 Allowed 'General case' 0 CA--C 1.575 1.935 0 N-CA-C 117.002 2.223 . . . . 0.0 117.002 177.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.4 p -153.9 -40.42 0.09 Allowed 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 115.657 1.725 . . . . 0.0 115.657 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.39 -57.62 0.66 Allowed Glycine 0 N--CA 1.496 2.654 0 CA-C-N 118.994 0.815 . . . . 0.0 114.157 -167.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -65.01 135.15 55.28 Favored 'General case' 0 N--CA 1.495 1.781 0 C-N-CA 124.048 0.939 . . . . 0.0 113.016 170.179 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -83.8 66.54 9.13 Favored 'General case' 0 CA--C 1.576 1.944 0 CA-C-O 123.296 1.522 . . . . 0.0 114.536 -163.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 28.4 tp -153.98 -26.25 0.13 Allowed 'General case' 0 CA--C 1.579 2.092 0 C-N-CA 125.211 1.404 . . . . 0.0 114.465 -177.278 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 91.5 m -58.0 -7.36 0.75 Allowed 'General case' 0 CA--C 1.571 1.779 1 N-CA-C 122.501 4.26 . . . . 0.0 122.501 -169.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -97.98 141.27 31.15 Favored 'General case' 0 CA--C 1.578 2.042 0 CA-C-N 120.061 1.301 . . . . 0.0 113.456 174.046 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.0 t -87.26 90.98 8.56 Favored 'General case' 0 CA--C 1.556 1.18 0 CA-C-O 123.874 1.797 . . . . 0.0 112.637 -164.154 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.371 1.506 0 CA-C-N 113.4 -1.727 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 13.1 p . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.795 0.331 . . . . 0.0 110.755 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 17.4 p -92.46 50.6 1.63 Allowed 'General case' 0 CA--C 1.575 1.936 0 N-CA-C 115.426 1.639 . . . . 0.0 115.426 163.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 30.3 p -160.48 -63.07 0.06 Allowed 'General case' 0 CA--C 1.573 1.836 0 N-CA-C 115.312 1.597 . . . . 0.0 115.312 177.497 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.26 -74.24 0.35 Allowed Glycine 0 N--CA 1.493 2.473 0 O-C-N 120.926 -1.109 . . . . 0.0 111.499 -162.296 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -53.84 120.45 6.32 Favored 'General case' 0 CA--C 1.574 1.88 0 CA-C-N 118.149 0.974 . . . . 0.0 113.556 162.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -77.17 36.17 0.18 Allowed 'General case' 0 N--CA 1.504 2.243 0 N-CA-C 118.013 2.597 . . . . 0.0 118.013 -166.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 45.2 tp -94.84 -27.19 15.87 Favored 'General case' 0 CA--C 1.574 1.872 0 N-CA-C 115.685 1.735 . . . . 0.0 115.685 168.343 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 64.5 m -55.86 -39.28 71.27 Favored 'General case' 0 CA--C 1.57 1.716 0 N-CA-C 120.377 3.473 . . . . 0.0 120.377 -165.271 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -84.56 125.79 32.74 Favored 'General case' 0 CA--C 1.574 1.897 0 CA-C-N 121.278 1.854 . . . . 0.0 112.406 -172.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.0 t -76.53 53.67 0.88 Allowed 'General case' 0 CA--C 1.563 1.478 0 CA-C-O 124.784 2.231 . . . . 0.0 115.428 -165.419 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.365 1.261 0 CA-C-N 112.717 -2.038 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 CA--C 1.571 1.782 0 CA-C-O 122.12 0.962 . . . . 0.0 113.004 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 20.6 p -71.28 -46.71 60.24 Favored 'General case' 0 CA--C 1.57 1.712 0 N-CA-C 115.908 1.818 . . . . 0.0 115.908 171.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.1 p -81.79 -58.74 2.86 Favored 'General case' 0 CA--C 1.57 1.748 0 N-CA-C 116.024 1.861 . . . . 0.0 116.024 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.25 -76.69 0.29 Allowed Glycine 0 N--CA 1.492 2.4 0 C-N-CA 124.277 0.942 . . . . 0.0 112.205 -172.401 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -45.41 123.86 4.45 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 162.451 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 56.9 mmtt -78.98 14.85 1.24 Allowed 'General case' 0 CA--C 1.576 1.97 0 N-CA-C 118.007 2.595 . . . . 0.0 118.007 -163.139 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 39.0 tp -65.59 -42.95 91.14 Favored 'General case' 0 CA--C 1.576 1.946 0 O-C-N 119.778 -1.826 . . . . 0.0 115.886 158.034 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 84.6 m -39.82 -49.26 2.35 Favored 'General case' 0 CA--C 1.572 1.805 1 N-CA-C 123.453 4.612 . . . . 0.0 123.453 -173.607 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -83.35 134.18 34.92 Favored 'General case' 0 CA--C 1.577 2.012 0 CA-C-N 121.081 1.764 . . . . 0.0 113.393 -165.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 52.0 t -145.43 145.27 31.06 Favored 'General case' 0 N--CA 1.486 1.367 0 CA-C-O 124.278 1.99 . . . . 0.0 111.636 -163.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.369 1.452 0 CA-C-N 113.138 -1.846 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 9.1 p . . . . . 0 CA--C 1.567 1.628 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 28.9 p -73.57 -46.42 47.4 Favored 'General case' 0 CA--C 1.572 1.802 0 N-CA-C 116.168 1.914 . . . . 0.0 116.168 173.171 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 18.8 p -75.3 -31.15 60.57 Favored 'General case' 0 CA--C 1.574 1.898 0 N-CA-C 118.169 2.655 . . . . 0.0 118.169 178.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.51 -65.53 0.24 Allowed Glycine 0 N--CA 1.494 2.547 0 CA-C-N 119.907 1.23 . . . . 0.0 112.941 -162.536 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -57.22 119.19 5.96 Favored 'General case' 0 CA--C 1.57 1.728 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 172.475 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -68.55 16.89 0.04 OUTLIER 'General case' 0 CA--C 1.583 2.221 0 N-CA-C 118.841 2.904 . . . . 0.0 118.841 -170.284 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.7 tp -87.8 -13.3 42.59 Favored 'General case' 0 CA--C 1.58 2.114 0 N-CA-C 115.916 1.821 . . . . 0.0 115.916 165.348 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 78.1 m -71.3 -39.14 71.64 Favored 'General case' 0 CA--C 1.569 1.68 0 N-CA-C 116.483 2.031 . . . . 0.0 116.483 -171.192 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -87.71 143.87 26.94 Favored 'General case' 0 CA--C 1.581 2.152 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -159.347 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 43.3 t -112.55 121.72 45.62 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-O 123.679 1.704 . . . . 0.0 112.127 -166.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.371 1.513 0 CA-C-N 113.499 -1.682 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 8.7 p . . . . . 0 N--CA 1.492 1.647 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 20.4 p -72.99 -35.33 66.84 Favored 'General case' 0 N--CA 1.5 2.071 0 N-CA-C 118.301 2.704 . . . . 0.0 118.301 177.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.2 p -93.59 -39.17 10.97 Favored 'General case' 0 CA--C 1.575 1.933 0 N-CA-C 117.256 2.317 . . . . 0.0 117.256 -178.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.7 -59.4 0.61 Allowed Glycine 0 N--CA 1.494 2.533 0 O-C-N 120.917 -1.114 . . . . 0.0 113.349 -168.143 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -61.65 130.85 47.83 Favored 'General case' 0 CA--C 1.568 1.652 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 167.542 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 64.2 mmtt -80.05 14.58 1.79 Allowed 'General case' 0 CA--C 1.585 2.291 0 N-CA-C 117.214 2.301 . . . . 0.0 117.214 -171.235 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 17.5 tp -73.3 -27.2 61.41 Favored 'General case' 0 CA--C 1.579 2.062 0 N-CA-C 115.883 1.808 . . . . 0.0 115.883 159.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 85.1 m -62.54 -64.09 1.03 Allowed 'General case' 0 CA--C 1.567 1.598 0 N-CA-C 116.039 1.866 . . . . 0.0 116.039 -168.398 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -70.04 133.12 46.88 Favored 'General case' 0 CA--C 1.574 1.873 0 CA-C-N 120.53 1.513 . . . . 0.0 114.599 -167.121 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.7 t -123.37 114.62 20.41 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-O 123.879 1.8 . . . . 0.0 111.105 -163.352 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.37 1.476 0 CA-C-N 113.208 -1.815 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 13.6 p . . . . . 0 N--CA 1.492 1.656 0 N-CA-C 110.576 -0.157 . . . . 0.0 110.576 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 31.7 p -64.83 -34.83 79.29 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 119.11 3.004 . . . . 0.0 119.11 -171.268 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.1 p -74.97 -53.85 8.23 Favored 'General case' 0 CA--C 1.572 1.79 0 N-CA-C 117.921 2.564 . . . . 0.0 117.921 175.28 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.15 -51.78 0.82 Allowed Glycine 0 N--CA 1.496 2.685 0 N-CA-C 115.461 0.945 . . . . 0.0 115.461 -166.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -61.35 148.08 42.64 Favored 'General case' 0 CA--C 1.571 1.762 0 C-N-CA 125.308 1.443 . . . . 0.0 113.06 163.211 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp -84.6 42.3 0.9 Allowed 'General case' 0 CA--C 1.582 2.199 0 N-CA-C 117.026 2.232 . . . . 0.0 117.026 -162.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 19.6 tp -135.74 -11.69 2.04 Favored 'General case' 0 N--CA 1.499 1.983 0 N-CA-C 116.379 1.992 . . . . 0.0 116.379 -176.089 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 71.3 m -70.85 -34.81 72.03 Favored 'General case' 0 CA--C 1.565 1.529 0 N-CA-C 118.705 2.854 . . . . 0.0 118.705 -168.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -79.98 137.25 36.8 Favored 'General case' 0 CA--C 1.577 2.002 0 CA-C-N 121.484 1.947 . . . . 0.0 114.834 178.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 43.7 t -95.88 94.72 7.8 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-O 124.228 1.966 . . . . 0.0 113.096 -161.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.369 1.416 0 CA-C-N 112.935 -1.939 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 13.5 p . . . . . 0 CA--C 1.566 1.57 0 CA-C-O 122.134 0.969 . . . . 0.0 112.418 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 18.2 p -61.39 -33.91 74.46 Favored 'General case' 0 CA--C 1.572 1.793 0 N-CA-C 117.901 2.556 . . . . 0.0 117.901 174.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.1 p -98.91 -37.76 9.28 Favored 'General case' 0 CA--C 1.574 1.867 0 N-CA-C 118.623 2.823 . . . . 0.0 118.623 -178.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.23 -53.63 0.72 Allowed Glycine 0 N--CA 1.505 3.289 0 CA-C-N 121.153 1.797 . . . . 0.0 116.24 -174.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -62.54 135.75 57.56 Favored 'General case' 0 CA--C 1.572 1.818 0 C-N-CA 124.083 0.953 . . . . 0.0 113.078 154.532 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.1 mmtt -83.08 28.72 0.5 Allowed 'General case' 0 CA--C 1.582 2.192 0 N-CA-C 117.053 2.242 . . . . 0.0 117.053 -171.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 58.0 tp -84.38 -41.98 16.17 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 119.534 -1.979 . . . . 0.0 114.889 165.38 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 61.2 m -49.72 -47.13 50.73 Favored 'General case' 0 CA--C 1.568 1.648 0 N-CA-C 119.858 3.281 . . . . 0.0 119.858 -166.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -75.64 133.04 40.96 Favored 'General case' 0 CA--C 1.58 2.103 0 CA-C-N 120.62 1.555 . . . . 0.0 113.481 -167.341 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 50.0 t -149.06 152.72 36.71 Favored 'General case' 0 N--CA 1.485 1.31 0 CA-C-O 124.335 2.016 . . . . 0.0 111.768 -155.219 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.368 1.391 0 CA-C-N 112.949 -1.932 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 9.8 p . . . . . 0 N--CA 1.494 1.759 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 24.6 p -82.26 -54.25 5.39 Favored 'General case' 0 CA--C 1.57 1.746 0 O-C-N 120.349 -1.469 . . . . 0.0 114.585 168.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 12.1 p -76.34 -45.4 32.29 Favored 'General case' 0 CA--C 1.57 1.712 0 N-CA-C 117.631 2.456 . . . . 0.0 117.631 -174.221 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.16 -64.33 0.6 Allowed Glycine 0 N--CA 1.494 2.525 0 CA-C-N 118.87 0.759 . . . . 0.0 113.839 -166.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -60.27 130.6 47.45 Favored 'General case' 0 CA--C 1.572 1.826 0 N-CA-C 113.921 1.082 . . . . 0.0 113.921 169.402 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 58.2 mmtt -79.31 11.7 2.78 Favored 'General case' 0 CA--C 1.578 2.032 0 N-CA-C 118.653 2.835 . . . . 0.0 118.653 -166.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 17.0 tp -74.26 -18.04 60.78 Favored 'General case' 0 CA--C 1.583 2.212 0 N-CA-C 116.894 2.183 . . . . 0.0 116.894 158.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 88.9 m -61.48 -46.23 90.89 Favored 'General case' 0 CA--C 1.571 1.761 0 N-CA-C 119.231 3.048 . . . . 0.0 119.231 -175.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -83.32 135.38 34.75 Favored 'General case' 0 CA--C 1.579 2.069 0 CA-C-N 120.951 1.705 . . . . 0.0 113.983 -168.688 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.2 t -140.17 108.4 5.79 Favored 'General case' 0 N--CA 1.487 1.396 0 CA-C-O 123.284 1.516 . . . . 0.0 111.997 -164.52 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.371 1.521 0 CA-C-N 113.579 -1.646 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . 0.274 9.2 p . . . . . 0 CA--C 1.571 1.753 0 CA-C-O 123.124 1.44 . . . . 0.0 111.485 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 28.0 p -61.47 -59.56 5.06 Favored 'General case' 0 CA--C 1.572 1.809 0 N-CA-C 116.232 1.938 . . . . 0.0 116.232 176.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 11.8 p -67.3 -70.87 0.23 Allowed 'General case' 0 CA--C 1.573 1.832 0 N-CA-C 117.321 2.341 . . . . 0.0 117.321 -167.629 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.57 -55.05 0.56 Allowed Glycine 0 N--CA 1.497 2.739 0 CA-C-N 118.847 0.749 . . . . 0.0 114.536 -171.454 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -61.97 134.47 56.68 Favored 'General case' 0 CA--C 1.573 1.846 0 CA-C-N 117.937 0.868 . . . . 0.0 112.108 159.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -90.75 22.13 3.72 Favored 'General case' 0 N--CA 1.503 2.2 0 N-CA-C 117.534 2.42 . . . . 0.0 117.534 -159.409 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 28.8 tp -82.97 -28.93 29.41 Favored 'General case' 0 CA--C 1.576 1.977 0 N-CA-C 115.768 1.766 . . . . 0.0 115.768 165.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 87.6 m -48.78 -43.19 37.74 Favored 'General case' 0 CA--C 1.57 1.734 0 N-CA-C 120.997 3.703 . . . . 0.0 120.997 -172.012 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 20.5 t60 -88.54 126.12 35.11 Favored 'General case' 0 CA--C 1.574 1.904 0 CA-C-N 120.033 1.288 . . . . 0.0 113.991 -162.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 53.3 t -120.11 116.24 25.28 Favored 'General case' 0 N--CA 1.488 1.475 0 CA-C-O 123.445 1.593 . . . . 0.0 110.781 -168.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.371 1.535 0 CA-C-N 113.546 -1.661 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 CA--C 1.563 1.453 0 CA-C-O 121.737 0.78 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 26.1 p -63.5 -44.31 94.71 Favored 'General case' 0 CA--C 1.572 1.823 0 N-CA-C 118.229 2.678 . . . . 0.0 118.229 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.1 p -78.03 -69.88 0.52 Allowed 'General case' 0 CA--C 1.57 1.725 0 N-CA-C 116.554 2.057 . . . . 0.0 116.554 -166.246 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.98 -54.09 0.54 Allowed Glycine 0 N--CA 1.493 2.466 0 O-C-N 121.194 -0.941 . . . . 0.0 115.396 -164.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -67.67 141.98 56.51 Favored 'General case' 0 N--CA 1.498 1.971 0 CA-C-N 118.007 0.904 . . . . 0.0 112.407 157.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . 0.259 29.1 mmtp -94.01 29.31 2.16 Favored 'General case' 0 N--CA 1.502 2.135 0 N-CA-C 117.837 2.532 . . . . 0.0 117.837 -162.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 26.3 tp -93.87 -2.0 54.01 Favored 'General case' 0 CA--C 1.58 2.099 0 N-CA-C 116.614 2.079 . . . . 0.0 116.614 165.216 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 92.3 m -75.19 -36.9 61.41 Favored 'General case' 0 CA--C 1.565 1.531 0 N-CA-C 118.169 2.655 . . . . 0.0 118.169 -163.223 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -89.08 128.98 35.78 Favored 'General case' 0 CA--C 1.575 1.929 0 CA-C-N 121.009 1.731 . . . . 0.0 114.036 -169.011 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 49.9 t -114.82 120.57 40.46 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-O 123.407 1.575 . . . . 0.0 111.288 -170.202 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.366 1.312 0 CA-C-N 113.31 -1.768 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 11.2 p . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 121.816 0.817 . . . . 0.0 110.533 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . 0.257 25.7 p -78.31 -60.56 2.32 Favored 'General case' 0 CA--C 1.562 1.44 0 N-CA-C 115.028 1.492 . . . . 0.0 115.028 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.2 p -74.86 3.6 7.89 Favored 'General case' 0 CA--C 1.577 1.987 0 N-CA-C 119.981 3.326 . . . . 0.0 119.981 178.629 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.77 -55.67 3.01 Favored Glycine 0 N--CA 1.499 2.871 0 N-CA-C 117.538 1.775 . . . . 0.0 117.538 165.177 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -58.45 155.72 11.58 Favored 'General case' 0 CA--C 1.572 1.799 0 C-N-CA 124.085 0.954 . . . . 0.0 113.508 162.16 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.72 75.04 9.65 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.388 -1.445 . . . . 0.0 113.505 -173.502 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 49.7 tp -147.2 -41.68 0.18 Allowed 'General case' 0 CA--C 1.578 2.03 0 C-N-CA 125.411 1.484 . . . . 0.0 113.223 -175.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 20.1 m -73.55 -30.21 62.93 Favored 'General case' 0 CA--C 1.558 1.263 0 N-CA-C 119.05 2.981 . . . . 0.0 119.05 -166.048 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 15.8 t60 -81.83 131.44 35.26 Favored 'General case' 0 CA--C 1.573 1.854 0 CA-C-N 120.269 1.395 . . . . 0.0 112.884 -173.135 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.0 t -97.89 114.51 26.61 Favored 'General case' 0 CA--C 1.558 1.278 0 CA-C-O 123.416 1.579 . . . . 0.0 112.532 -168.304 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.37 1.494 0 CA-C-N 113.779 -1.555 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 11.6 p . . . . . 0 CA--C 1.564 1.495 0 CA-C-O 122.257 1.027 . . . . 0.0 110.727 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 22.8 p -68.91 -50.59 48.17 Favored 'General case' 0 CA--C 1.57 1.744 0 N-CA-C 116.783 2.142 . . . . 0.0 116.783 -177.338 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 12.7 p -66.48 -28.87 68.92 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 117.973 2.583 . . . . 0.0 117.973 174.563 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.51 -55.48 0.52 Allowed Glycine 0 N--CA 1.497 2.75 0 N-CA-C 115.695 1.038 . . . . 0.0 115.695 179.35 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -66.21 151.98 45.83 Favored 'General case' 0 CA--C 1.572 1.801 0 C-N-CA 124.769 1.228 . . . . 0.0 114.062 173.57 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.78 78.74 4.28 Favored 'General case' 0 CA--C 1.571 1.769 0 CA-C-O 123.088 1.423 . . . . 0.0 112.235 -176.759 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.4 tp -157.22 -29.72 0.09 Allowed 'General case' 0 CA--C 1.583 2.223 0 C-N-CA 125.622 1.569 . . . . 0.0 113.656 -179.181 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 77.7 m -87.95 -25.48 23.17 Favored 'General case' 0 CA--C 1.571 1.787 0 N-CA-C 120.115 3.376 . . . . 0.0 120.115 -169.619 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -84.8 131.41 34.54 Favored 'General case' 0 CA--C 1.578 2.024 0 CA-C-N 121.29 1.859 . . . . 0.0 113.011 -176.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.9 t -73.52 94.55 2.14 Favored 'General case' 0 CA--C 1.56 1.364 0 CA-C-O 124.37 2.033 . . . . 0.0 113.359 -167.471 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.367 1.341 0 CA-C-N 112.852 -1.976 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 10.9 p . . . . . 0 CA--C 1.571 1.77 0 CA-C-O 122.288 1.042 . . . . 0.0 111.694 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 20.5 p -82.82 20.27 1.2 Allowed 'General case' 0 CA--C 1.577 1.984 0 N-CA-C 117.481 2.4 . . . . 0.0 117.481 166.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.2 p -132.29 -67.56 0.65 Allowed 'General case' 0 CA--C 1.571 1.787 0 O-C-N 120.647 -1.283 . . . . 0.0 114.064 176.19 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.24 -71.28 0.22 Allowed Glycine 0 N--CA 1.489 2.207 0 C-N-CA 124.399 1.0 . . . . 0.0 111.665 -176.406 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 53.4 t80 -59.19 134.71 57.24 Favored 'General case' 0 N--CA 1.494 1.759 0 C-N-CA 124.119 0.968 . . . . 0.0 112.412 164.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -79.8 42.63 0.55 Allowed 'General case' 0 N--CA 1.505 2.29 0 N-CA-C 117.222 2.305 . . . . 0.0 117.222 -159.157 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 26.4 tp -130.53 55.76 1.8 Allowed 'General case' 0 CA--C 1.568 1.666 0 O-C-N 120.56 -1.337 . . . . 0.0 111.079 -177.618 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 94.1 m -130.41 -44.83 1.11 Allowed 'General case' 0 CA--C 1.562 1.428 0 N-CA-C 115.887 1.81 . . . . 0.0 115.887 -171.12 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -79.64 131.32 35.95 Favored 'General case' 0 CA--C 1.583 2.239 0 CA-C-N 122.137 2.244 . . . . 0.0 114.383 -176.268 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.1 t -76.26 119.09 19.68 Favored 'General case' 0 CA--C 1.559 1.293 0 CA-C-O 123.216 1.484 . . . . 0.0 112.944 -158.549 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.37 1.477 0 CA-C-N 113.433 -1.712 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 12.8 p . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 110.848 -0.056 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . 0.259 17.9 p -86.9 53.07 2.7 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 120.183 -1.573 . . . . 0.0 114.932 175.75 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 25.9 p -161.59 -64.45 0.06 Allowed 'General case' 0 CA--C 1.575 1.906 0 C-N-CA 125.351 1.461 . . . . 0.0 112.019 176.463 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.17 -61.26 0.47 Allowed Glycine 0 N--CA 1.496 2.64 0 O-C-N 120.611 -1.306 . . . . 0.0 114.44 -168.455 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -65.27 139.74 58.64 Favored 'General case' 0 CA--C 1.576 1.943 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 164.418 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -87.03 54.51 3.21 Favored 'General case' 0 CA--C 1.581 2.164 0 N-CA-C 116.764 2.135 . . . . 0.0 116.764 -160.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 38.2 tp -127.11 -15.8 5.19 Favored 'General case' 0 CA--C 1.588 2.439 0 N-CA-C 115.493 1.664 . . . . 0.0 115.493 173.219 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 84.1 m -65.39 -53.24 46.16 Favored 'General case' 0 CA--C 1.566 1.565 0 N-CA-C 118.418 2.747 . . . . 0.0 118.418 -167.216 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.54 139.34 55.6 Favored 'General case' 0 CA--C 1.577 2.006 0 N-CA-C 115.363 1.616 . . . . 0.0 115.363 -176.333 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.5 t -78.5 116.43 18.89 Favored 'General case' 0 N--CA 1.486 1.368 0 CA-C-O 123.541 1.638 . . . . 0.0 114.711 -163.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.371 1.519 0 CA-C-N 113.039 -1.892 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 N--CA 1.489 1.525 0 CA-C-O 121.371 0.605 . . . . 0.0 111.775 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 30.4 p -78.11 -20.94 51.19 Favored 'General case' 0 CA--C 1.57 1.727 0 N-CA-C 118.0 2.593 . . . . 0.0 118.0 176.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 20.4 p -93.32 -32.71 14.19 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 117.459 2.392 . . . . 0.0 117.459 175.552 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.62 -60.54 0.41 Allowed Glycine 0 N--CA 1.496 2.667 0 CA-C-N 120.291 1.405 . . . . 0.0 114.173 -169.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -58.36 131.66 51.34 Favored 'General case' 0 CA--C 1.569 1.7 0 C-N-CA 124.183 0.993 . . . . 0.0 113.465 164.456 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -81.98 48.78 1.27 Allowed 'General case' 0 N--CA 1.504 2.252 0 N-CA-C 116.563 2.06 . . . . 0.0 116.563 -166.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 26.3 tp -119.43 -19.52 8.17 Favored 'General case' 0 CA--C 1.581 2.135 0 C-N-CA 126.213 1.805 . . . . 0.0 114.065 172.436 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 73.1 m -74.08 -20.53 60.24 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 119.536 3.161 . . . . 0.0 119.536 -166.026 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -98.27 128.45 44.72 Favored 'General case' 0 CA--C 1.574 1.902 0 CA-C-N 120.775 1.625 . . . . 0.0 113.761 -170.757 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.9 t -72.47 88.71 1.23 Allowed 'General case' 0 N--CA 1.485 1.296 0 CA-C-O 123.836 1.779 . . . . 0.0 115.245 -165.544 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.372 1.553 0 CA-C-N 112.815 -1.993 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 12.5 p . . . . . 0 CA--C 1.561 1.396 0 CA-C-O 121.81 0.814 . . . . 0.0 110.624 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.42 ' SG ' ' HB3' ' A' ' 8' ' ' CYS . 26.3 p -63.75 -39.7 94.93 Favored 'General case' 0 CA--C 1.574 1.885 0 N-CA-C 117.159 2.281 . . . . 0.0 117.159 176.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 30.0 p -79.19 -55.03 5.4 Favored 'General case' 0 CA--C 1.576 1.945 0 N-CA-C 117.129 2.27 . . . . 0.0 117.129 179.031 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.94 -52.23 0.82 Allowed Glycine 0 N--CA 1.498 2.823 0 O-C-N 121.099 -1.001 . . . . 0.0 113.675 -162.217 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -51.49 128.37 22.67 Favored 'General case' 0 CA--C 1.575 1.933 0 N-CA-C 114.858 1.429 . . . . 0.0 114.858 154.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -88.2 60.66 5.87 Favored 'General case' 0 CA--C 1.574 1.872 0 CA-C-O 122.658 1.218 . . . . 0.0 114.135 -170.414 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 33.4 tp -124.04 -34.45 2.97 Favored 'General case' 0 CA--C 1.58 2.122 0 C-N-CA 124.624 1.17 . . . . 0.0 113.645 159.264 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.42 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 80.2 m -48.58 -51.71 26.46 Favored 'General case' 0 CA--C 1.566 1.586 0 N-CA-C 119.416 3.117 . . . . 0.0 119.416 -158.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -74.24 130.26 39.39 Favored 'General case' 0 CA--C 1.584 2.254 0 N-CA-C 115.573 1.694 . . . . 0.0 115.573 -176.348 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 45.2 t -108.25 113.95 27.45 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-O 123.879 1.8 . . . . 0.0 112.876 -157.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.372 1.562 0 CA-C-N 113.075 -1.875 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 11.2 p . . . . . 0 CA--C 1.565 1.539 0 CA-C-O 122.279 1.038 . . . . 0.0 111.604 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 16.3 p -81.02 37.85 0.45 Allowed 'General case' 0 CA--C 1.575 1.935 0 N-CA-C 117.002 2.223 . . . . 0.0 117.002 177.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.4 p -153.9 -40.42 0.09 Allowed 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 115.657 1.725 . . . . 0.0 115.657 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.39 -57.62 0.66 Allowed Glycine 0 N--CA 1.496 2.654 0 CA-C-N 118.994 0.815 . . . . 0.0 114.157 -167.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -65.01 135.15 55.28 Favored 'General case' 0 N--CA 1.495 1.781 0 C-N-CA 124.048 0.939 . . . . 0.0 113.016 170.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -83.8 66.54 9.13 Favored 'General case' 0 CA--C 1.576 1.944 0 CA-C-O 123.296 1.522 . . . . 0.0 114.536 -163.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 28.4 tp -153.98 -26.25 0.13 Allowed 'General case' 0 CA--C 1.579 2.092 0 C-N-CA 125.211 1.404 . . . . 0.0 114.465 -177.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 91.5 m -58.0 -7.36 0.75 Allowed 'General case' 0 CA--C 1.571 1.779 1 N-CA-C 122.501 4.26 . . . . 0.0 122.501 -169.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.578 2.042 0 CA-C-N 120.061 1.301 . . . . 0.0 113.456 174.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 13.1 p . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.795 0.331 . . . . 0.0 110.755 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 17.4 p -92.46 50.6 1.63 Allowed 'General case' 0 CA--C 1.575 1.936 0 N-CA-C 115.426 1.639 . . . . 0.0 115.426 163.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 30.3 p -160.48 -63.07 0.06 Allowed 'General case' 0 CA--C 1.573 1.836 0 N-CA-C 115.312 1.597 . . . . 0.0 115.312 177.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.26 -74.24 0.35 Allowed Glycine 0 N--CA 1.493 2.473 0 O-C-N 120.926 -1.109 . . . . 0.0 111.499 -162.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -53.84 120.45 6.32 Favored 'General case' 0 CA--C 1.574 1.88 0 CA-C-N 118.149 0.974 . . . . 0.0 113.556 162.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -77.17 36.17 0.18 Allowed 'General case' 0 N--CA 1.504 2.243 0 N-CA-C 118.013 2.597 . . . . 0.0 118.013 -166.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 45.2 tp -94.84 -27.19 15.87 Favored 'General case' 0 CA--C 1.574 1.872 0 N-CA-C 115.685 1.735 . . . . 0.0 115.685 168.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 64.5 m -55.86 -39.28 71.27 Favored 'General case' 0 CA--C 1.57 1.716 0 N-CA-C 120.377 3.473 . . . . 0.0 120.377 -165.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 13.2 t60 . . . . . 0 CA--C 1.574 1.897 0 CA-C-N 121.278 1.854 . . . . 0.0 112.406 -172.851 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 CA--C 1.571 1.782 0 CA-C-O 122.12 0.962 . . . . 0.0 113.004 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 20.6 p -71.28 -46.71 60.24 Favored 'General case' 0 CA--C 1.57 1.712 0 N-CA-C 115.908 1.818 . . . . 0.0 115.908 171.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.1 p -81.79 -58.74 2.86 Favored 'General case' 0 CA--C 1.57 1.748 0 N-CA-C 116.024 1.861 . . . . 0.0 116.024 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.25 -76.69 0.29 Allowed Glycine 0 N--CA 1.492 2.4 0 C-N-CA 124.277 0.942 . . . . 0.0 112.205 -172.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -45.41 123.86 4.45 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 162.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 56.9 mmtt -78.98 14.85 1.24 Allowed 'General case' 0 CA--C 1.576 1.97 0 N-CA-C 118.007 2.595 . . . . 0.0 118.007 -163.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 39.0 tp -65.59 -42.95 91.14 Favored 'General case' 0 CA--C 1.576 1.946 0 O-C-N 119.778 -1.826 . . . . 0.0 115.886 158.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 84.6 m -39.82 -49.26 2.35 Favored 'General case' 0 CA--C 1.572 1.805 1 N-CA-C 123.453 4.612 . . . . 0.0 123.453 -173.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.5 t60 . . . . . 0 CA--C 1.577 2.012 0 CA-C-N 121.081 1.764 . . . . 0.0 113.393 -165.965 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 9.1 p . . . . . 0 CA--C 1.567 1.628 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 28.9 p -73.57 -46.42 47.4 Favored 'General case' 0 CA--C 1.572 1.802 0 N-CA-C 116.168 1.914 . . . . 0.0 116.168 173.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 18.8 p -75.3 -31.15 60.57 Favored 'General case' 0 CA--C 1.574 1.898 0 N-CA-C 118.169 2.655 . . . . 0.0 118.169 178.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.51 -65.53 0.24 Allowed Glycine 0 N--CA 1.494 2.547 0 CA-C-N 119.907 1.23 . . . . 0.0 112.941 -162.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -57.22 119.19 5.96 Favored 'General case' 0 CA--C 1.57 1.728 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 172.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -68.55 16.89 0.04 OUTLIER 'General case' 0 CA--C 1.583 2.221 0 N-CA-C 118.841 2.904 . . . . 0.0 118.841 -170.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.7 tp -87.8 -13.3 42.59 Favored 'General case' 0 CA--C 1.58 2.114 0 N-CA-C 115.916 1.821 . . . . 0.0 115.916 165.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 78.1 m -71.3 -39.14 71.64 Favored 'General case' 0 CA--C 1.569 1.68 0 N-CA-C 116.483 2.031 . . . . 0.0 116.483 -171.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.7 t60 . . . . . 0 CA--C 1.581 2.152 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -159.347 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 8.7 p . . . . . 0 N--CA 1.492 1.647 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 20.4 p -72.99 -35.33 66.84 Favored 'General case' 0 N--CA 1.5 2.071 0 N-CA-C 118.301 2.704 . . . . 0.0 118.301 177.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.2 p -93.59 -39.17 10.97 Favored 'General case' 0 CA--C 1.575 1.933 0 N-CA-C 117.256 2.317 . . . . 0.0 117.256 -178.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.7 -59.4 0.61 Allowed Glycine 0 N--CA 1.494 2.533 0 O-C-N 120.917 -1.114 . . . . 0.0 113.349 -168.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -61.65 130.85 47.83 Favored 'General case' 0 CA--C 1.568 1.652 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 167.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 64.2 mmtt -80.05 14.58 1.79 Allowed 'General case' 0 CA--C 1.585 2.291 0 N-CA-C 117.214 2.301 . . . . 0.0 117.214 -171.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 17.5 tp -73.3 -27.2 61.41 Favored 'General case' 0 CA--C 1.579 2.062 0 N-CA-C 115.883 1.808 . . . . 0.0 115.883 159.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 85.1 m -62.54 -64.09 1.03 Allowed 'General case' 0 CA--C 1.567 1.598 0 N-CA-C 116.039 1.866 . . . . 0.0 116.039 -168.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.574 1.873 0 CA-C-N 120.53 1.513 . . . . 0.0 114.599 -167.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 13.6 p . . . . . 0 N--CA 1.492 1.656 0 N-CA-C 110.576 -0.157 . . . . 0.0 110.576 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 31.7 p -64.83 -34.83 79.29 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 119.11 3.004 . . . . 0.0 119.11 -171.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.1 p -74.97 -53.85 8.23 Favored 'General case' 0 CA--C 1.572 1.79 0 N-CA-C 117.921 2.564 . . . . 0.0 117.921 175.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.15 -51.78 0.82 Allowed Glycine 0 N--CA 1.496 2.685 0 N-CA-C 115.461 0.945 . . . . 0.0 115.461 -166.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -61.35 148.08 42.64 Favored 'General case' 0 CA--C 1.571 1.762 0 C-N-CA 125.308 1.443 . . . . 0.0 113.06 163.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp -84.6 42.3 0.9 Allowed 'General case' 0 CA--C 1.582 2.199 0 N-CA-C 117.026 2.232 . . . . 0.0 117.026 -162.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 19.6 tp -135.74 -11.69 2.04 Favored 'General case' 0 N--CA 1.499 1.983 0 N-CA-C 116.379 1.992 . . . . 0.0 116.379 -176.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 71.3 m -70.85 -34.81 72.03 Favored 'General case' 0 CA--C 1.565 1.529 0 N-CA-C 118.705 2.854 . . . . 0.0 118.705 -168.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.577 2.002 0 CA-C-N 121.484 1.947 . . . . 0.0 114.834 178.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 13.5 p . . . . . 0 CA--C 1.566 1.57 0 CA-C-O 122.134 0.969 . . . . 0.0 112.418 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 18.2 p -61.39 -33.91 74.46 Favored 'General case' 0 CA--C 1.572 1.793 0 N-CA-C 117.901 2.556 . . . . 0.0 117.901 174.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.1 p -98.91 -37.76 9.28 Favored 'General case' 0 CA--C 1.574 1.867 0 N-CA-C 118.623 2.823 . . . . 0.0 118.623 -178.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.23 -53.63 0.72 Allowed Glycine 0 N--CA 1.505 3.289 0 CA-C-N 121.153 1.797 . . . . 0.0 116.24 -174.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -62.54 135.75 57.56 Favored 'General case' 0 CA--C 1.572 1.818 0 C-N-CA 124.083 0.953 . . . . 0.0 113.078 154.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.1 mmtt -83.08 28.72 0.5 Allowed 'General case' 0 CA--C 1.582 2.192 0 N-CA-C 117.053 2.242 . . . . 0.0 117.053 -171.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 58.0 tp -84.38 -41.98 16.17 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 119.534 -1.979 . . . . 0.0 114.889 165.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 61.2 m -49.72 -47.13 50.73 Favored 'General case' 0 CA--C 1.568 1.648 0 N-CA-C 119.858 3.281 . . . . 0.0 119.858 -166.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.9 t60 . . . . . 0 CA--C 1.58 2.103 0 CA-C-N 120.62 1.555 . . . . 0.0 113.481 -167.341 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 9.8 p . . . . . 0 N--CA 1.494 1.759 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 24.6 p -82.26 -54.25 5.39 Favored 'General case' 0 CA--C 1.57 1.746 0 O-C-N 120.349 -1.469 . . . . 0.0 114.585 168.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 12.1 p -76.34 -45.4 32.29 Favored 'General case' 0 CA--C 1.57 1.712 0 N-CA-C 117.631 2.456 . . . . 0.0 117.631 -174.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.16 -64.33 0.6 Allowed Glycine 0 N--CA 1.494 2.525 0 CA-C-N 118.87 0.759 . . . . 0.0 113.839 -166.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -60.27 130.6 47.45 Favored 'General case' 0 CA--C 1.572 1.826 0 N-CA-C 113.921 1.082 . . . . 0.0 113.921 169.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 58.2 mmtt -79.31 11.7 2.78 Favored 'General case' 0 CA--C 1.578 2.032 0 N-CA-C 118.653 2.835 . . . . 0.0 118.653 -166.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 17.0 tp -74.26 -18.04 60.78 Favored 'General case' 0 CA--C 1.583 2.212 0 N-CA-C 116.894 2.183 . . . . 0.0 116.894 158.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 88.9 m -61.48 -46.23 90.89 Favored 'General case' 0 CA--C 1.571 1.761 0 N-CA-C 119.231 3.048 . . . . 0.0 119.231 -175.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.579 2.069 0 CA-C-N 120.951 1.705 . . . . 0.0 113.983 -168.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . 0.274 9.2 p . . . . . 0 CA--C 1.571 1.753 0 CA-C-O 123.124 1.44 . . . . 0.0 111.485 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 28.0 p -61.47 -59.56 5.06 Favored 'General case' 0 CA--C 1.572 1.809 0 N-CA-C 116.232 1.938 . . . . 0.0 116.232 176.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 11.8 p -67.3 -70.87 0.23 Allowed 'General case' 0 CA--C 1.573 1.832 0 N-CA-C 117.321 2.341 . . . . 0.0 117.321 -167.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.57 -55.05 0.56 Allowed Glycine 0 N--CA 1.497 2.739 0 CA-C-N 118.847 0.749 . . . . 0.0 114.536 -171.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -61.97 134.47 56.68 Favored 'General case' 0 CA--C 1.573 1.846 0 CA-C-N 117.937 0.868 . . . . 0.0 112.108 159.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -90.75 22.13 3.72 Favored 'General case' 0 N--CA 1.503 2.2 0 N-CA-C 117.534 2.42 . . . . 0.0 117.534 -159.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 28.8 tp -82.97 -28.93 29.41 Favored 'General case' 0 CA--C 1.576 1.977 0 N-CA-C 115.768 1.766 . . . . 0.0 115.768 165.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 87.6 m -48.78 -43.19 37.74 Favored 'General case' 0 CA--C 1.57 1.734 0 N-CA-C 120.997 3.703 . . . . 0.0 120.997 -172.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 20.5 t60 . . . . . 0 CA--C 1.574 1.904 0 CA-C-N 120.033 1.288 . . . . 0.0 113.991 -162.89 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 CA--C 1.563 1.453 0 CA-C-O 121.737 0.78 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 26.1 p -63.5 -44.31 94.71 Favored 'General case' 0 CA--C 1.572 1.823 0 N-CA-C 118.229 2.678 . . . . 0.0 118.229 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.1 p -78.03 -69.88 0.52 Allowed 'General case' 0 CA--C 1.57 1.725 0 N-CA-C 116.554 2.057 . . . . 0.0 116.554 -166.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.98 -54.09 0.54 Allowed Glycine 0 N--CA 1.493 2.466 0 O-C-N 121.194 -0.941 . . . . 0.0 115.396 -164.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -67.67 141.98 56.51 Favored 'General case' 0 N--CA 1.498 1.971 0 CA-C-N 118.007 0.904 . . . . 0.0 112.407 157.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . 0.259 29.1 mmtp -94.01 29.31 2.16 Favored 'General case' 0 N--CA 1.502 2.135 0 N-CA-C 117.837 2.532 . . . . 0.0 117.837 -162.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 26.3 tp -93.87 -2.0 54.01 Favored 'General case' 0 CA--C 1.58 2.099 0 N-CA-C 116.614 2.079 . . . . 0.0 116.614 165.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 92.3 m -75.19 -36.9 61.41 Favored 'General case' 0 CA--C 1.565 1.531 0 N-CA-C 118.169 2.655 . . . . 0.0 118.169 -163.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 7.7 t60 . . . . . 0 CA--C 1.575 1.929 0 CA-C-N 121.009 1.731 . . . . 0.0 114.036 -169.011 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 11.2 p . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 121.816 0.817 . . . . 0.0 110.533 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . 0.257 25.7 p -78.31 -60.56 2.32 Favored 'General case' 0 CA--C 1.562 1.44 0 N-CA-C 115.028 1.492 . . . . 0.0 115.028 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.2 p -74.86 3.6 7.89 Favored 'General case' 0 CA--C 1.577 1.987 0 N-CA-C 119.981 3.326 . . . . 0.0 119.981 178.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.77 -55.67 3.01 Favored Glycine 0 N--CA 1.499 2.871 0 N-CA-C 117.538 1.775 . . . . 0.0 117.538 165.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -58.45 155.72 11.58 Favored 'General case' 0 CA--C 1.572 1.799 0 C-N-CA 124.085 0.954 . . . . 0.0 113.508 162.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.72 75.04 9.65 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.388 -1.445 . . . . 0.0 113.505 -173.502 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 49.7 tp -147.2 -41.68 0.18 Allowed 'General case' 0 CA--C 1.578 2.03 0 C-N-CA 125.411 1.484 . . . . 0.0 113.223 -175.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 20.1 m -73.55 -30.21 62.93 Favored 'General case' 0 CA--C 1.558 1.263 0 N-CA-C 119.05 2.981 . . . . 0.0 119.05 -166.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 15.8 t60 . . . . . 0 CA--C 1.573 1.854 0 CA-C-N 120.269 1.395 . . . . 0.0 112.884 -173.135 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 11.6 p . . . . . 0 CA--C 1.564 1.495 0 CA-C-O 122.257 1.027 . . . . 0.0 110.727 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 22.8 p -68.91 -50.59 48.17 Favored 'General case' 0 CA--C 1.57 1.744 0 N-CA-C 116.783 2.142 . . . . 0.0 116.783 -177.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 12.7 p -66.48 -28.87 68.92 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 117.973 2.583 . . . . 0.0 117.973 174.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.51 -55.48 0.52 Allowed Glycine 0 N--CA 1.497 2.75 0 N-CA-C 115.695 1.038 . . . . 0.0 115.695 179.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -66.21 151.98 45.83 Favored 'General case' 0 CA--C 1.572 1.801 0 C-N-CA 124.769 1.228 . . . . 0.0 114.062 173.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.78 78.74 4.28 Favored 'General case' 0 CA--C 1.571 1.769 0 CA-C-O 123.088 1.423 . . . . 0.0 112.235 -176.759 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.4 tp -157.22 -29.72 0.09 Allowed 'General case' 0 CA--C 1.583 2.223 0 C-N-CA 125.622 1.569 . . . . 0.0 113.656 -179.181 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 77.7 m -87.95 -25.48 23.17 Favored 'General case' 0 CA--C 1.571 1.787 0 N-CA-C 120.115 3.376 . . . . 0.0 120.115 -169.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 17.9 t60 . . . . . 0 CA--C 1.578 2.024 0 CA-C-N 121.29 1.859 . . . . 0.0 113.011 -176.969 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 10.9 p . . . . . 0 CA--C 1.571 1.77 0 CA-C-O 122.288 1.042 . . . . 0.0 111.694 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 20.5 p -82.82 20.27 1.2 Allowed 'General case' 0 CA--C 1.577 1.984 0 N-CA-C 117.481 2.4 . . . . 0.0 117.481 166.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.2 p -132.29 -67.56 0.65 Allowed 'General case' 0 CA--C 1.571 1.787 0 O-C-N 120.647 -1.283 . . . . 0.0 114.064 176.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.24 -71.28 0.22 Allowed Glycine 0 N--CA 1.489 2.207 0 C-N-CA 124.399 1.0 . . . . 0.0 111.665 -176.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 53.4 t80 -59.19 134.71 57.24 Favored 'General case' 0 N--CA 1.494 1.759 0 C-N-CA 124.119 0.968 . . . . 0.0 112.412 164.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -79.8 42.63 0.55 Allowed 'General case' 0 N--CA 1.505 2.29 0 N-CA-C 117.222 2.305 . . . . 0.0 117.222 -159.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 26.4 tp -130.53 55.76 1.8 Allowed 'General case' 0 CA--C 1.568 1.666 0 O-C-N 120.56 -1.337 . . . . 0.0 111.079 -177.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 94.1 m -130.41 -44.83 1.11 Allowed 'General case' 0 CA--C 1.562 1.428 0 N-CA-C 115.887 1.81 . . . . 0.0 115.887 -171.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.583 2.239 0 CA-C-N 122.137 2.244 . . . . 0.0 114.383 -176.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 12.8 p . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 110.848 -0.056 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . 0.259 17.9 p -86.9 53.07 2.7 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 120.183 -1.573 . . . . 0.0 114.932 175.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 25.9 p -161.59 -64.45 0.06 Allowed 'General case' 0 CA--C 1.575 1.906 0 C-N-CA 125.351 1.461 . . . . 0.0 112.019 176.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.17 -61.26 0.47 Allowed Glycine 0 N--CA 1.496 2.64 0 O-C-N 120.611 -1.306 . . . . 0.0 114.44 -168.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -65.27 139.74 58.64 Favored 'General case' 0 CA--C 1.576 1.943 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 164.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -87.03 54.51 3.21 Favored 'General case' 0 CA--C 1.581 2.164 0 N-CA-C 116.764 2.135 . . . . 0.0 116.764 -160.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 38.2 tp -127.11 -15.8 5.19 Favored 'General case' 0 CA--C 1.588 2.439 0 N-CA-C 115.493 1.664 . . . . 0.0 115.493 173.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 84.1 m -65.39 -53.24 46.16 Favored 'General case' 0 CA--C 1.566 1.565 0 N-CA-C 118.418 2.747 . . . . 0.0 118.418 -167.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.577 2.006 0 N-CA-C 115.363 1.616 . . . . 0.0 115.363 -176.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 N--CA 1.489 1.525 0 CA-C-O 121.371 0.605 . . . . 0.0 111.775 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 30.4 p -78.11 -20.94 51.19 Favored 'General case' 0 CA--C 1.57 1.727 0 N-CA-C 118.0 2.593 . . . . 0.0 118.0 176.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 20.4 p -93.32 -32.71 14.19 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 117.459 2.392 . . . . 0.0 117.459 175.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.62 -60.54 0.41 Allowed Glycine 0 N--CA 1.496 2.667 0 CA-C-N 120.291 1.405 . . . . 0.0 114.173 -169.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -58.36 131.66 51.34 Favored 'General case' 0 CA--C 1.569 1.7 0 C-N-CA 124.183 0.993 . . . . 0.0 113.465 164.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -81.98 48.78 1.27 Allowed 'General case' 0 N--CA 1.504 2.252 0 N-CA-C 116.563 2.06 . . . . 0.0 116.563 -166.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 26.3 tp -119.43 -19.52 8.17 Favored 'General case' 0 CA--C 1.581 2.135 0 C-N-CA 126.213 1.805 . . . . 0.0 114.065 172.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 73.1 m -74.08 -20.53 60.24 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 119.536 3.161 . . . . 0.0 119.536 -166.026 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.574 1.902 0 CA-C-N 120.775 1.625 . . . . 0.0 113.761 -170.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 12.5 p . . . . . 0 CA--C 1.561 1.396 0 CA-C-O 121.81 0.814 . . . . 0.0 110.624 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.42 ' SG ' ' HB3' ' A' ' 8' ' ' CYS . 26.3 p -63.75 -39.7 94.93 Favored 'General case' 0 CA--C 1.574 1.885 0 N-CA-C 117.159 2.281 . . . . 0.0 117.159 176.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 30.0 p -79.19 -55.03 5.4 Favored 'General case' 0 CA--C 1.576 1.945 0 N-CA-C 117.129 2.27 . . . . 0.0 117.129 179.031 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.94 -52.23 0.82 Allowed Glycine 0 N--CA 1.498 2.823 0 O-C-N 121.099 -1.001 . . . . 0.0 113.675 -162.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -51.49 128.37 22.67 Favored 'General case' 0 CA--C 1.575 1.933 0 N-CA-C 114.858 1.429 . . . . 0.0 114.858 154.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -88.2 60.66 5.87 Favored 'General case' 0 CA--C 1.574 1.872 0 CA-C-O 122.658 1.218 . . . . 0.0 114.135 -170.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 33.4 tp -124.04 -34.45 2.97 Favored 'General case' 0 CA--C 1.58 2.122 0 C-N-CA 124.624 1.17 . . . . 0.0 113.645 159.264 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.42 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 80.2 m -48.58 -51.71 26.46 Favored 'General case' 0 CA--C 1.566 1.586 0 N-CA-C 119.416 3.117 . . . . 0.0 119.416 -158.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.584 2.254 0 N-CA-C 115.573 1.694 . . . . 0.0 115.573 -176.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 11.2 p . . . . . 0 CA--C 1.565 1.539 0 CA-C-O 122.279 1.038 . . . . 0.0 111.604 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 16.3 p -81.02 37.85 0.45 Allowed 'General case' 0 CA--C 1.575 1.935 0 N-CA-C 117.002 2.223 . . . . 0.0 117.002 177.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.4 p -153.9 -40.42 0.09 Allowed 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 115.657 1.725 . . . . 0.0 115.657 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.39 -57.62 0.66 Allowed Glycine 0 N--CA 1.496 2.654 0 CA-C-N 118.994 0.815 . . . . 0.0 114.157 -167.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -65.01 135.15 55.28 Favored 'General case' 0 N--CA 1.495 1.781 0 C-N-CA 124.048 0.939 . . . . 0.0 113.016 170.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -83.8 66.54 9.13 Favored 'General case' 0 CA--C 1.576 1.944 0 CA-C-O 123.296 1.522 . . . . 0.0 114.536 -163.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 28.4 tp -153.98 -26.25 0.13 Allowed 'General case' 0 CA--C 1.579 2.092 0 C-N-CA 125.211 1.404 . . . . 0.0 114.465 -177.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 91.5 m -58.0 -7.36 0.75 Allowed 'General case' 0 CA--C 1.571 1.779 1 N-CA-C 122.501 4.26 . . . . 0.0 122.501 -169.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -97.98 141.27 31.15 Favored 'General case' 0 CA--C 1.578 2.042 0 CA-C-N 120.061 1.301 . . . . 0.0 113.456 174.046 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.0 t -87.26 90.98 8.56 Favored 'General case' 0 CA--C 1.556 1.18 0 CA-C-O 123.874 1.797 . . . . 0.0 112.637 -164.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.371 1.506 0 CA-C-N 113.4 -1.727 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 13.1 p . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.795 0.331 . . . . 0.0 110.755 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 17.4 p -92.46 50.6 1.63 Allowed 'General case' 0 CA--C 1.575 1.936 0 N-CA-C 115.426 1.639 . . . . 0.0 115.426 163.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 30.3 p -160.48 -63.07 0.06 Allowed 'General case' 0 CA--C 1.573 1.836 0 N-CA-C 115.312 1.597 . . . . 0.0 115.312 177.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.26 -74.24 0.35 Allowed Glycine 0 N--CA 1.493 2.473 0 O-C-N 120.926 -1.109 . . . . 0.0 111.499 -162.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -53.84 120.45 6.32 Favored 'General case' 0 CA--C 1.574 1.88 0 CA-C-N 118.149 0.974 . . . . 0.0 113.556 162.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -77.17 36.17 0.18 Allowed 'General case' 0 N--CA 1.504 2.243 0 N-CA-C 118.013 2.597 . . . . 0.0 118.013 -166.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 45.2 tp -94.84 -27.19 15.87 Favored 'General case' 0 CA--C 1.574 1.872 0 N-CA-C 115.685 1.735 . . . . 0.0 115.685 168.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 64.5 m -55.86 -39.28 71.27 Favored 'General case' 0 CA--C 1.57 1.716 0 N-CA-C 120.377 3.473 . . . . 0.0 120.377 -165.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -84.56 125.79 32.74 Favored 'General case' 0 CA--C 1.574 1.897 0 CA-C-N 121.278 1.854 . . . . 0.0 112.406 -172.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.0 t -76.53 53.67 0.88 Allowed 'General case' 0 CA--C 1.563 1.478 0 CA-C-O 124.784 2.231 . . . . 0.0 115.428 -165.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.365 1.261 0 CA-C-N 112.717 -2.038 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 CA--C 1.571 1.782 0 CA-C-O 122.12 0.962 . . . . 0.0 113.004 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 20.6 p -71.28 -46.71 60.24 Favored 'General case' 0 CA--C 1.57 1.712 0 N-CA-C 115.908 1.818 . . . . 0.0 115.908 171.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.1 p -81.79 -58.74 2.86 Favored 'General case' 0 CA--C 1.57 1.748 0 N-CA-C 116.024 1.861 . . . . 0.0 116.024 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.25 -76.69 0.29 Allowed Glycine 0 N--CA 1.492 2.4 0 C-N-CA 124.277 0.942 . . . . 0.0 112.205 -172.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -45.41 123.86 4.45 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 162.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 56.9 mmtt -78.98 14.85 1.24 Allowed 'General case' 0 CA--C 1.576 1.97 0 N-CA-C 118.007 2.595 . . . . 0.0 118.007 -163.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 39.0 tp -65.59 -42.95 91.14 Favored 'General case' 0 CA--C 1.576 1.946 0 O-C-N 119.778 -1.826 . . . . 0.0 115.886 158.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 84.6 m -39.82 -49.26 2.35 Favored 'General case' 0 CA--C 1.572 1.805 1 N-CA-C 123.453 4.612 . . . . 0.0 123.453 -173.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -83.35 134.18 34.92 Favored 'General case' 0 CA--C 1.577 2.012 0 CA-C-N 121.081 1.764 . . . . 0.0 113.393 -165.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 52.0 t -145.43 145.27 31.06 Favored 'General case' 0 N--CA 1.486 1.367 0 CA-C-O 124.278 1.99 . . . . 0.0 111.636 -163.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.369 1.452 0 CA-C-N 113.138 -1.846 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 9.1 p . . . . . 0 CA--C 1.567 1.628 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 28.9 p -73.57 -46.42 47.4 Favored 'General case' 0 CA--C 1.572 1.802 0 N-CA-C 116.168 1.914 . . . . 0.0 116.168 173.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 18.8 p -75.3 -31.15 60.57 Favored 'General case' 0 CA--C 1.574 1.898 0 N-CA-C 118.169 2.655 . . . . 0.0 118.169 178.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.51 -65.53 0.24 Allowed Glycine 0 N--CA 1.494 2.547 0 CA-C-N 119.907 1.23 . . . . 0.0 112.941 -162.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -57.22 119.19 5.96 Favored 'General case' 0 CA--C 1.57 1.728 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 172.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -68.55 16.89 0.04 OUTLIER 'General case' 0 CA--C 1.583 2.221 0 N-CA-C 118.841 2.904 . . . . 0.0 118.841 -170.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.7 tp -87.8 -13.3 42.59 Favored 'General case' 0 CA--C 1.58 2.114 0 N-CA-C 115.916 1.821 . . . . 0.0 115.916 165.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 78.1 m -71.3 -39.14 71.64 Favored 'General case' 0 CA--C 1.569 1.68 0 N-CA-C 116.483 2.031 . . . . 0.0 116.483 -171.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -87.71 143.87 26.94 Favored 'General case' 0 CA--C 1.581 2.152 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -159.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 43.3 t -112.55 121.72 45.62 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-O 123.679 1.704 . . . . 0.0 112.127 -166.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.371 1.513 0 CA-C-N 113.499 -1.682 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 8.7 p . . . . . 0 N--CA 1.492 1.647 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 20.4 p -72.99 -35.33 66.84 Favored 'General case' 0 N--CA 1.5 2.071 0 N-CA-C 118.301 2.704 . . . . 0.0 118.301 177.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.2 p -93.59 -39.17 10.97 Favored 'General case' 0 CA--C 1.575 1.933 0 N-CA-C 117.256 2.317 . . . . 0.0 117.256 -178.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.7 -59.4 0.61 Allowed Glycine 0 N--CA 1.494 2.533 0 O-C-N 120.917 -1.114 . . . . 0.0 113.349 -168.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -61.65 130.85 47.83 Favored 'General case' 0 CA--C 1.568 1.652 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 167.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 64.2 mmtt -80.05 14.58 1.79 Allowed 'General case' 0 CA--C 1.585 2.291 0 N-CA-C 117.214 2.301 . . . . 0.0 117.214 -171.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 17.5 tp -73.3 -27.2 61.41 Favored 'General case' 0 CA--C 1.579 2.062 0 N-CA-C 115.883 1.808 . . . . 0.0 115.883 159.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 85.1 m -62.54 -64.09 1.03 Allowed 'General case' 0 CA--C 1.567 1.598 0 N-CA-C 116.039 1.866 . . . . 0.0 116.039 -168.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -70.04 133.12 46.88 Favored 'General case' 0 CA--C 1.574 1.873 0 CA-C-N 120.53 1.513 . . . . 0.0 114.599 -167.121 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.7 t -123.37 114.62 20.41 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-O 123.879 1.8 . . . . 0.0 111.105 -163.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.37 1.476 0 CA-C-N 113.208 -1.815 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 13.6 p . . . . . 0 N--CA 1.492 1.656 0 N-CA-C 110.576 -0.157 . . . . 0.0 110.576 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 31.7 p -64.83 -34.83 79.29 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 119.11 3.004 . . . . 0.0 119.11 -171.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.1 p -74.97 -53.85 8.23 Favored 'General case' 0 CA--C 1.572 1.79 0 N-CA-C 117.921 2.564 . . . . 0.0 117.921 175.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.15 -51.78 0.82 Allowed Glycine 0 N--CA 1.496 2.685 0 N-CA-C 115.461 0.945 . . . . 0.0 115.461 -166.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -61.35 148.08 42.64 Favored 'General case' 0 CA--C 1.571 1.762 0 C-N-CA 125.308 1.443 . . . . 0.0 113.06 163.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp -84.6 42.3 0.9 Allowed 'General case' 0 CA--C 1.582 2.199 0 N-CA-C 117.026 2.232 . . . . 0.0 117.026 -162.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 19.6 tp -135.74 -11.69 2.04 Favored 'General case' 0 N--CA 1.499 1.983 0 N-CA-C 116.379 1.992 . . . . 0.0 116.379 -176.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 71.3 m -70.85 -34.81 72.03 Favored 'General case' 0 CA--C 1.565 1.529 0 N-CA-C 118.705 2.854 . . . . 0.0 118.705 -168.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -79.98 137.25 36.8 Favored 'General case' 0 CA--C 1.577 2.002 0 CA-C-N 121.484 1.947 . . . . 0.0 114.834 178.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 43.7 t -95.88 94.72 7.8 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-O 124.228 1.966 . . . . 0.0 113.096 -161.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.369 1.416 0 CA-C-N 112.935 -1.939 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 13.5 p . . . . . 0 CA--C 1.566 1.57 0 CA-C-O 122.134 0.969 . . . . 0.0 112.418 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 18.2 p -61.39 -33.91 74.46 Favored 'General case' 0 CA--C 1.572 1.793 0 N-CA-C 117.901 2.556 . . . . 0.0 117.901 174.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.1 p -98.91 -37.76 9.28 Favored 'General case' 0 CA--C 1.574 1.867 0 N-CA-C 118.623 2.823 . . . . 0.0 118.623 -178.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.23 -53.63 0.72 Allowed Glycine 0 N--CA 1.505 3.289 0 CA-C-N 121.153 1.797 . . . . 0.0 116.24 -174.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -62.54 135.75 57.56 Favored 'General case' 0 CA--C 1.572 1.818 0 C-N-CA 124.083 0.953 . . . . 0.0 113.078 154.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.1 mmtt -83.08 28.72 0.5 Allowed 'General case' 0 CA--C 1.582 2.192 0 N-CA-C 117.053 2.242 . . . . 0.0 117.053 -171.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 58.0 tp -84.38 -41.98 16.17 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 119.534 -1.979 . . . . 0.0 114.889 165.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 61.2 m -49.72 -47.13 50.73 Favored 'General case' 0 CA--C 1.568 1.648 0 N-CA-C 119.858 3.281 . . . . 0.0 119.858 -166.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -75.64 133.04 40.96 Favored 'General case' 0 CA--C 1.58 2.103 0 CA-C-N 120.62 1.555 . . . . 0.0 113.481 -167.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 50.0 t -149.06 152.72 36.71 Favored 'General case' 0 N--CA 1.485 1.31 0 CA-C-O 124.335 2.016 . . . . 0.0 111.768 -155.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.368 1.391 0 CA-C-N 112.949 -1.932 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 9.8 p . . . . . 0 N--CA 1.494 1.759 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 24.6 p -82.26 -54.25 5.39 Favored 'General case' 0 CA--C 1.57 1.746 0 O-C-N 120.349 -1.469 . . . . 0.0 114.585 168.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 12.1 p -76.34 -45.4 32.29 Favored 'General case' 0 CA--C 1.57 1.712 0 N-CA-C 117.631 2.456 . . . . 0.0 117.631 -174.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.16 -64.33 0.6 Allowed Glycine 0 N--CA 1.494 2.525 0 CA-C-N 118.87 0.759 . . . . 0.0 113.839 -166.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -60.27 130.6 47.45 Favored 'General case' 0 CA--C 1.572 1.826 0 N-CA-C 113.921 1.082 . . . . 0.0 113.921 169.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 58.2 mmtt -79.31 11.7 2.78 Favored 'General case' 0 CA--C 1.578 2.032 0 N-CA-C 118.653 2.835 . . . . 0.0 118.653 -166.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 17.0 tp -74.26 -18.04 60.78 Favored 'General case' 0 CA--C 1.583 2.212 0 N-CA-C 116.894 2.183 . . . . 0.0 116.894 158.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 88.9 m -61.48 -46.23 90.89 Favored 'General case' 0 CA--C 1.571 1.761 0 N-CA-C 119.231 3.048 . . . . 0.0 119.231 -175.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -83.32 135.38 34.75 Favored 'General case' 0 CA--C 1.579 2.069 0 CA-C-N 120.951 1.705 . . . . 0.0 113.983 -168.688 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.2 t -140.17 108.4 5.79 Favored 'General case' 0 N--CA 1.487 1.396 0 CA-C-O 123.284 1.516 . . . . 0.0 111.997 -164.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.371 1.521 0 CA-C-N 113.579 -1.646 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . 0.274 9.2 p . . . . . 0 CA--C 1.571 1.753 0 CA-C-O 123.124 1.44 . . . . 0.0 111.485 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 28.0 p -61.47 -59.56 5.06 Favored 'General case' 0 CA--C 1.572 1.809 0 N-CA-C 116.232 1.938 . . . . 0.0 116.232 176.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 11.8 p -67.3 -70.87 0.23 Allowed 'General case' 0 CA--C 1.573 1.832 0 N-CA-C 117.321 2.341 . . . . 0.0 117.321 -167.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.57 -55.05 0.56 Allowed Glycine 0 N--CA 1.497 2.739 0 CA-C-N 118.847 0.749 . . . . 0.0 114.536 -171.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -61.97 134.47 56.68 Favored 'General case' 0 CA--C 1.573 1.846 0 CA-C-N 117.937 0.868 . . . . 0.0 112.108 159.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -90.75 22.13 3.72 Favored 'General case' 0 N--CA 1.503 2.2 0 N-CA-C 117.534 2.42 . . . . 0.0 117.534 -159.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 28.8 tp -82.97 -28.93 29.41 Favored 'General case' 0 CA--C 1.576 1.977 0 N-CA-C 115.768 1.766 . . . . 0.0 115.768 165.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 87.6 m -48.78 -43.19 37.74 Favored 'General case' 0 CA--C 1.57 1.734 0 N-CA-C 120.997 3.703 . . . . 0.0 120.997 -172.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 20.5 t60 -88.54 126.12 35.11 Favored 'General case' 0 CA--C 1.574 1.904 0 CA-C-N 120.033 1.288 . . . . 0.0 113.991 -162.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 53.3 t -120.11 116.24 25.28 Favored 'General case' 0 N--CA 1.488 1.475 0 CA-C-O 123.445 1.593 . . . . 0.0 110.781 -168.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.371 1.535 0 CA-C-N 113.546 -1.661 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 CA--C 1.563 1.453 0 CA-C-O 121.737 0.78 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 26.1 p -63.5 -44.31 94.71 Favored 'General case' 0 CA--C 1.572 1.823 0 N-CA-C 118.229 2.678 . . . . 0.0 118.229 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.1 p -78.03 -69.88 0.52 Allowed 'General case' 0 CA--C 1.57 1.725 0 N-CA-C 116.554 2.057 . . . . 0.0 116.554 -166.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.98 -54.09 0.54 Allowed Glycine 0 N--CA 1.493 2.466 0 O-C-N 121.194 -0.941 . . . . 0.0 115.396 -164.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -67.67 141.98 56.51 Favored 'General case' 0 N--CA 1.498 1.971 0 CA-C-N 118.007 0.904 . . . . 0.0 112.407 157.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . 0.259 29.1 mmtp -94.01 29.31 2.16 Favored 'General case' 0 N--CA 1.502 2.135 0 N-CA-C 117.837 2.532 . . . . 0.0 117.837 -162.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 26.3 tp -93.87 -2.0 54.01 Favored 'General case' 0 CA--C 1.58 2.099 0 N-CA-C 116.614 2.079 . . . . 0.0 116.614 165.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 92.3 m -75.19 -36.9 61.41 Favored 'General case' 0 CA--C 1.565 1.531 0 N-CA-C 118.169 2.655 . . . . 0.0 118.169 -163.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -89.08 128.98 35.78 Favored 'General case' 0 CA--C 1.575 1.929 0 CA-C-N 121.009 1.731 . . . . 0.0 114.036 -169.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 49.9 t -114.82 120.57 40.46 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-O 123.407 1.575 . . . . 0.0 111.288 -170.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.366 1.312 0 CA-C-N 113.31 -1.768 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 11.2 p . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 121.816 0.817 . . . . 0.0 110.533 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . 0.257 25.7 p -78.31 -60.56 2.32 Favored 'General case' 0 CA--C 1.562 1.44 0 N-CA-C 115.028 1.492 . . . . 0.0 115.028 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.2 p -74.86 3.6 7.89 Favored 'General case' 0 CA--C 1.577 1.987 0 N-CA-C 119.981 3.326 . . . . 0.0 119.981 178.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.77 -55.67 3.01 Favored Glycine 0 N--CA 1.499 2.871 0 N-CA-C 117.538 1.775 . . . . 0.0 117.538 165.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -58.45 155.72 11.58 Favored 'General case' 0 CA--C 1.572 1.799 0 C-N-CA 124.085 0.954 . . . . 0.0 113.508 162.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.72 75.04 9.65 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.388 -1.445 . . . . 0.0 113.505 -173.502 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 49.7 tp -147.2 -41.68 0.18 Allowed 'General case' 0 CA--C 1.578 2.03 0 C-N-CA 125.411 1.484 . . . . 0.0 113.223 -175.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 20.1 m -73.55 -30.21 62.93 Favored 'General case' 0 CA--C 1.558 1.263 0 N-CA-C 119.05 2.981 . . . . 0.0 119.05 -166.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 15.8 t60 -81.83 131.44 35.26 Favored 'General case' 0 CA--C 1.573 1.854 0 CA-C-N 120.269 1.395 . . . . 0.0 112.884 -173.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.0 t -97.89 114.51 26.61 Favored 'General case' 0 CA--C 1.558 1.278 0 CA-C-O 123.416 1.579 . . . . 0.0 112.532 -168.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.37 1.494 0 CA-C-N 113.779 -1.555 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 11.6 p . . . . . 0 CA--C 1.564 1.495 0 CA-C-O 122.257 1.027 . . . . 0.0 110.727 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 22.8 p -68.91 -50.59 48.17 Favored 'General case' 0 CA--C 1.57 1.744 0 N-CA-C 116.783 2.142 . . . . 0.0 116.783 -177.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 12.7 p -66.48 -28.87 68.92 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 117.973 2.583 . . . . 0.0 117.973 174.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.51 -55.48 0.52 Allowed Glycine 0 N--CA 1.497 2.75 0 N-CA-C 115.695 1.038 . . . . 0.0 115.695 179.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -66.21 151.98 45.83 Favored 'General case' 0 CA--C 1.572 1.801 0 C-N-CA 124.769 1.228 . . . . 0.0 114.062 173.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.78 78.74 4.28 Favored 'General case' 0 CA--C 1.571 1.769 0 CA-C-O 123.088 1.423 . . . . 0.0 112.235 -176.759 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.4 tp -157.22 -29.72 0.09 Allowed 'General case' 0 CA--C 1.583 2.223 0 C-N-CA 125.622 1.569 . . . . 0.0 113.656 -179.181 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 77.7 m -87.95 -25.48 23.17 Favored 'General case' 0 CA--C 1.571 1.787 0 N-CA-C 120.115 3.376 . . . . 0.0 120.115 -169.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -84.8 131.41 34.54 Favored 'General case' 0 CA--C 1.578 2.024 0 CA-C-N 121.29 1.859 . . . . 0.0 113.011 -176.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.9 t -73.52 94.55 2.14 Favored 'General case' 0 CA--C 1.56 1.364 0 CA-C-O 124.37 2.033 . . . . 0.0 113.359 -167.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.367 1.341 0 CA-C-N 112.852 -1.976 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 10.9 p . . . . . 0 CA--C 1.571 1.77 0 CA-C-O 122.288 1.042 . . . . 0.0 111.694 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 20.5 p -82.82 20.27 1.2 Allowed 'General case' 0 CA--C 1.577 1.984 0 N-CA-C 117.481 2.4 . . . . 0.0 117.481 166.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.2 p -132.29 -67.56 0.65 Allowed 'General case' 0 CA--C 1.571 1.787 0 O-C-N 120.647 -1.283 . . . . 0.0 114.064 176.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.24 -71.28 0.22 Allowed Glycine 0 N--CA 1.489 2.207 0 C-N-CA 124.399 1.0 . . . . 0.0 111.665 -176.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 53.4 t80 -59.19 134.71 57.24 Favored 'General case' 0 N--CA 1.494 1.759 0 C-N-CA 124.119 0.968 . . . . 0.0 112.412 164.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -79.8 42.63 0.55 Allowed 'General case' 0 N--CA 1.505 2.29 0 N-CA-C 117.222 2.305 . . . . 0.0 117.222 -159.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 26.4 tp -130.53 55.76 1.8 Allowed 'General case' 0 CA--C 1.568 1.666 0 O-C-N 120.56 -1.337 . . . . 0.0 111.079 -177.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 94.1 m -130.41 -44.83 1.11 Allowed 'General case' 0 CA--C 1.562 1.428 0 N-CA-C 115.887 1.81 . . . . 0.0 115.887 -171.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -79.64 131.32 35.95 Favored 'General case' 0 CA--C 1.583 2.239 0 CA-C-N 122.137 2.244 . . . . 0.0 114.383 -176.268 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.1 t -76.26 119.09 19.68 Favored 'General case' 0 CA--C 1.559 1.293 0 CA-C-O 123.216 1.484 . . . . 0.0 112.944 -158.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.37 1.477 0 CA-C-N 113.433 -1.712 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 12.8 p . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 110.848 -0.056 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . 0.259 17.9 p -86.9 53.07 2.7 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 120.183 -1.573 . . . . 0.0 114.932 175.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 25.9 p -161.59 -64.45 0.06 Allowed 'General case' 0 CA--C 1.575 1.906 0 C-N-CA 125.351 1.461 . . . . 0.0 112.019 176.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.17 -61.26 0.47 Allowed Glycine 0 N--CA 1.496 2.64 0 O-C-N 120.611 -1.306 . . . . 0.0 114.44 -168.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -65.27 139.74 58.64 Favored 'General case' 0 CA--C 1.576 1.943 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 164.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -87.03 54.51 3.21 Favored 'General case' 0 CA--C 1.581 2.164 0 N-CA-C 116.764 2.135 . . . . 0.0 116.764 -160.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 38.2 tp -127.11 -15.8 5.19 Favored 'General case' 0 CA--C 1.588 2.439 0 N-CA-C 115.493 1.664 . . . . 0.0 115.493 173.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 84.1 m -65.39 -53.24 46.16 Favored 'General case' 0 CA--C 1.566 1.565 0 N-CA-C 118.418 2.747 . . . . 0.0 118.418 -167.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.54 139.34 55.6 Favored 'General case' 0 CA--C 1.577 2.006 0 N-CA-C 115.363 1.616 . . . . 0.0 115.363 -176.333 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.5 t -78.5 116.43 18.89 Favored 'General case' 0 N--CA 1.486 1.368 0 CA-C-O 123.541 1.638 . . . . 0.0 114.711 -163.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.371 1.519 0 CA-C-N 113.039 -1.892 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 N--CA 1.489 1.525 0 CA-C-O 121.371 0.605 . . . . 0.0 111.775 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 30.4 p -78.11 -20.94 51.19 Favored 'General case' 0 CA--C 1.57 1.727 0 N-CA-C 118.0 2.593 . . . . 0.0 118.0 176.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 20.4 p -93.32 -32.71 14.19 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 117.459 2.392 . . . . 0.0 117.459 175.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.62 -60.54 0.41 Allowed Glycine 0 N--CA 1.496 2.667 0 CA-C-N 120.291 1.405 . . . . 0.0 114.173 -169.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -58.36 131.66 51.34 Favored 'General case' 0 CA--C 1.569 1.7 0 C-N-CA 124.183 0.993 . . . . 0.0 113.465 164.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -81.98 48.78 1.27 Allowed 'General case' 0 N--CA 1.504 2.252 0 N-CA-C 116.563 2.06 . . . . 0.0 116.563 -166.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 26.3 tp -119.43 -19.52 8.17 Favored 'General case' 0 CA--C 1.581 2.135 0 C-N-CA 126.213 1.805 . . . . 0.0 114.065 172.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 73.1 m -74.08 -20.53 60.24 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 119.536 3.161 . . . . 0.0 119.536 -166.026 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -98.27 128.45 44.72 Favored 'General case' 0 CA--C 1.574 1.902 0 CA-C-N 120.775 1.625 . . . . 0.0 113.761 -170.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.9 t -72.47 88.71 1.23 Allowed 'General case' 0 N--CA 1.485 1.296 0 CA-C-O 123.836 1.779 . . . . 0.0 115.245 -165.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.372 1.553 0 CA-C-N 112.815 -1.993 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 12.5 p . . . . . 0 CA--C 1.561 1.396 0 CA-C-O 121.81 0.814 . . . . 0.0 110.624 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.42 ' SG ' ' HB3' ' A' ' 8' ' ' CYS . 26.3 p -63.75 -39.7 94.93 Favored 'General case' 0 CA--C 1.574 1.885 0 N-CA-C 117.159 2.281 . . . . 0.0 117.159 176.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 30.0 p -79.19 -55.03 5.4 Favored 'General case' 0 CA--C 1.576 1.945 0 N-CA-C 117.129 2.27 . . . . 0.0 117.129 179.031 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.94 -52.23 0.82 Allowed Glycine 0 N--CA 1.498 2.823 0 O-C-N 121.099 -1.001 . . . . 0.0 113.675 -162.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -51.49 128.37 22.67 Favored 'General case' 0 CA--C 1.575 1.933 0 N-CA-C 114.858 1.429 . . . . 0.0 114.858 154.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -88.2 60.66 5.87 Favored 'General case' 0 CA--C 1.574 1.872 0 CA-C-O 122.658 1.218 . . . . 0.0 114.135 -170.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 33.4 tp -124.04 -34.45 2.97 Favored 'General case' 0 CA--C 1.58 2.122 0 C-N-CA 124.624 1.17 . . . . 0.0 113.645 159.264 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.42 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 80.2 m -48.58 -51.71 26.46 Favored 'General case' 0 CA--C 1.566 1.586 0 N-CA-C 119.416 3.117 . . . . 0.0 119.416 -158.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -74.24 130.26 39.39 Favored 'General case' 0 CA--C 1.584 2.254 0 N-CA-C 115.573 1.694 . . . . 0.0 115.573 -176.348 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 45.2 t -108.25 113.95 27.45 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-O 123.879 1.8 . . . . 0.0 112.876 -157.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.372 1.562 0 CA-C-N 113.075 -1.875 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_