data_1yl8_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 1yl8 _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 ' 2' ' ' CYS . . . . . . . . . . . . . 76.2 m . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 105.876 -1.898 . . . . 0.65 105.876 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 69.7 t80 . . . . . 0 N--CA 1.452 -0.367 0 CA-C-O 121.899 0.857 . . . . 2.98 108.757 -172.97 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.224 -0.244 0 N-CA-C 113.21 0.818 . . . . 1.54 113.21 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 15.1 t -52.6 -29.56 26.51 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 127.513 2.325 . . . . 1.56 113.054 -172.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 10.3 p -145.07 27.14 1.3 Allowed 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 118.772 0.714 . . . . 0.55 110.187 164.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 C--O 1.247 0.941 0 CA-C-O 116.876 -1.535 . . . . 1.63 109.203 -169.253 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 34.9 m . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 108.399 -0.963 . . . . 0.67 108.399 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 42.2 t80 . . . . . 0 N--CA 1.455 -0.18 0 CA-C-O 122.063 0.935 . . . . 3.09 109.2 -176.17 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.222 -0.359 0 N-CA-C 113.718 1.007 . . . . 1.93 113.718 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.1 t -49.88 -37.39 30.97 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 125.113 1.365 . . . . 1.4 112.143 -175.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.9 p -141.73 30.92 1.66 Allowed 'General case' 0 N--CA 1.456 -0.132 0 O-C-N 121.929 -0.482 . . . . 0.46 110.39 167.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.247 0.954 0 CA-C-O 117.701 -1.142 . . . . 1.66 109.675 -173.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 23.6 m . . . . . 0 N--CA 1.451 -0.388 0 N-CA-C 107.702 -1.222 . . . . 0.66 107.702 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 87.1 t80 . . . . . 0 N--CA 1.455 -0.21 0 N-CA-C 108.504 -0.924 . . . . 4.34 108.504 -179.793 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.223 -0.323 0 N-CA-C 113.644 0.979 . . . . 1.88 113.644 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.1 t -56.81 -28.61 61.72 Favored 'General case' 0 N--CA 1.448 -0.568 0 O-C-N 120.467 -1.396 . . . . 1.83 112.031 -175.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 15.2 p -148.8 31.75 0.78 Allowed 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 121.224 0.535 . . . . 0.48 109.96 163.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.088 0 CA-C-O 116.189 -1.862 . . . . 1.68 109.363 -174.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 19.7 m . . . . . 0 N--CA 1.449 -0.478 0 N-CA-C 107.781 -1.192 . . . . 0.67 107.781 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.527 0.087 0 CA-C-O 121.886 0.851 . . . . 3.76 108.746 -173.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.34 0 N-CA-C 113.681 0.993 . . . . 1.89 113.681 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.6 t -61.07 -32.62 72.25 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 120.228 -1.545 . . . . 1.5 111.419 -172.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.0 p -144.41 27.52 1.39 Allowed 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 121.041 0.448 . . . . 0.46 109.992 167.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.252 1.23 0 CA-C-O 116.451 -1.738 . . . . 1.73 108.43 -172.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 79.0 m . . . . . 0 N--CA 1.45 -0.426 0 N-CA-C 106.431 -1.692 . . . . 0.67 106.431 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 24.8 t80 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 108.517 -0.919 . . . . 3.6 108.517 -174.727 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.223 -0.305 0 CA-C-O 121.838 0.828 . . . . 1.66 112.732 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.1 t -48.47 -36.26 14.7 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 126.263 1.825 . . . . 1.52 112.202 -173.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.4 p -141.15 24.58 2.13 Favored 'General case' 0 N--CA 1.455 -0.211 0 O-C-N 121.924 -0.485 . . . . 0.52 110.788 168.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 C--O 1.253 1.267 0 CA-C-O 116.972 -1.49 . . . . 1.72 109.826 -167.885 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 91.1 m . . . . . 0 N--CA 1.455 -0.211 0 N-CA-C 107.507 -1.294 . . . . 0.71 107.507 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 37.9 t80 . . . . . 0 N--CA 1.455 -0.219 0 CA-C-O 121.688 0.756 . . . . 3.02 109.005 -174.604 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.222 -0.367 0 N-CA-C 112.803 0.668 . . . . 1.75 112.803 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.4 t -45.43 -37.38 5.08 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 126.587 1.955 . . . . 1.62 112.528 -175.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.2 p -140.57 26.73 2.11 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 118.48 0.582 . . . . 0.63 110.844 168.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.251 1.184 0 CA-C-O 116.816 -1.564 . . . . 1.69 110.283 -170.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 68.2 m . . . . . 0 N--CA 1.454 -0.243 0 N-CA-C 107.264 -1.384 . . . . 0.68 107.264 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 38.8 t80 . . . . . 0 N--CA 1.454 -0.23 0 CA-C-O 121.68 0.752 . . . . 3.02 109.155 -174.785 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.223 -0.34 0 N-CA-C 112.792 0.664 . . . . 1.88 112.792 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.1 t -46.55 -37.08 7.5 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 126.525 1.93 . . . . 1.58 112.37 -174.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.0 p -141.39 28.23 1.85 Allowed 'General case' 0 C--N 1.34 0.176 0 O-C-N 121.844 -0.535 . . . . 0.56 110.508 167.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 117.622 -1.18 . . . . 1.68 110.054 -171.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 39.7 m . . . . . 0 C--O 1.226 -0.184 0 N-CA-C 106.523 -1.658 . . . . 0.66 106.523 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 12.0 t80 . . . . . 0 CA--C 1.53 0.196 0 N-CA-C 108.914 -0.773 . . . . 3.84 108.914 -174.61 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.223 -0.32 0 CA-C-O 121.404 0.621 . . . . 1.78 112.654 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.1 t -49.05 -35.36 15.58 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 125.674 1.59 . . . . 1.7 111.761 -176.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 12.9 p -142.85 29.45 1.51 Allowed 'General case' 0 N--CA 1.455 -0.191 0 O-C-N 121.872 -0.517 . . . . 0.46 110.505 165.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 117.636 -1.174 . . . . 1.65 109.909 -171.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 45.5 m . . . . . 0 N--CA 1.456 -0.166 0 N-CA-C 106.544 -1.65 . . . . 0.67 106.544 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 31.7 t80 . . . . . 0 N--CA 1.456 -0.165 0 CA-C-O 121.699 0.761 . . . . 3.22 109.377 -171.017 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.224 -0.274 0 CA-C-O 122.214 1.006 . . . . 1.74 112.632 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.2 t -53.37 -27.04 21.73 Favored 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 126.012 1.725 . . . . 1.64 112.987 -172.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 12.3 p -148.06 27.67 0.95 Allowed 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 118.621 0.646 . . . . 0.46 110.395 163.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.9 p . . . . . 0 C--O 1.25 1.115 0 CA-C-O 117.0 -1.476 . . . . 1.7 109.604 -169.246 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 34.2 m . . . . . 0 N--CA 1.456 -0.142 0 N-CA-C 106.617 -1.623 . . . . 0.67 106.617 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 4.9 t80 . . . . . 0 CA--C 1.531 0.218 0 N-CA-C 108.703 -0.851 . . . . 3.32 108.703 -174.16 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.224 -0.283 0 CA-C-O 122.168 0.985 . . . . 1.98 112.61 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.1 t -53.03 -28.11 22.82 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 126.102 1.761 . . . . 1.44 112.87 -173.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.4 p -148.49 28.98 0.87 Allowed 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 118.585 0.63 . . . . 0.45 110.17 163.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.6 p . . . . . 0 C--O 1.248 1.007 0 CA-C-O 117.228 -1.368 . . . . 1.67 109.483 -170.295 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 17.9 m . . . . . 0 N--CA 1.449 -0.482 0 N-CA-C 108.091 -1.077 . . . . 0.8 108.091 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.528 0.121 0 N-CA-C 108.284 -1.006 . . . . 3.73 108.284 -177.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.224 -0.24 0 CA-C-O 121.999 0.904 . . . . 1.93 112.443 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.0 t -54.51 -27.26 36.85 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 125.434 1.493 . . . . 1.46 112.578 -173.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.9 p -150.44 29.93 0.69 Allowed 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 118.19 0.45 . . . . 0.5 109.875 165.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.0 p . . . . . 0 C--O 1.25 1.109 0 CA-C-O 117.207 -1.378 . . . . 1.65 109.347 -170.914 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 CA--C 1.53 0.182 0 N-CA-C 107.46 -1.311 . . . . 1.04 107.46 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 63.1 t80 . . . . . 0 CA--C 1.528 0.131 0 CA-C-O 121.874 0.845 . . . . 3.29 109.268 -174.787 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.533 0.319 0 N-CA-C 113.429 0.9 . . . . 2.08 113.429 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.1 -32.02 72.53 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 120.27 -1.519 . . . . 1.88 111.123 -173.177 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 22.3 p -146.61 30.16 1.01 Allowed 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.56 -0.533 . . . . 0.54 109.56 167.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.25 1.079 0 CA-C-O 117.289 -1.339 . . . . 1.65 108.253 -174.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 34.5 m . . . . . 0 N--CA 1.448 -0.557 0 N-CA-C 105.183 -2.154 . . . . 0.7 105.183 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.448 -0.564 0 N-CA-C 108.113 -1.069 . . . . 4.02 108.113 -176.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.537 0.465 0 N-CA-C 113.332 0.864 . . . . 3.09 113.332 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.3 t -52.54 -32.66 41.75 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 125.296 1.439 . . . . 1.9 113.131 -170.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.9 p -142.99 21.24 1.95 Allowed 'General case' 0 N--CA 1.457 -0.115 0 CA-C-N 118.228 0.467 . . . . 0.47 110.848 167.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.7 p . . . . . 0 C--O 1.25 1.105 0 CA-C-O 116.878 -1.535 . . . . 1.89 109.713 -167.258 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 56.2 m . . . . . 0 N--CA 1.444 -0.754 0 N-CA-C 107.133 -1.432 . . . . 0.83 107.133 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 68.4 t80 . . . . . 0 N--CA 1.452 -0.364 0 CA-C-O 121.886 0.85 . . . . 4.16 108.711 -176.894 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.223 -0.318 0 CA-C-O 121.774 0.797 . . . . 2.02 112.703 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.6 t -49.54 -39.4 34.49 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 126.547 1.939 . . . . 1.59 112.362 -172.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.7 p -145.3 31.09 1.11 Allowed 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 120.143 -0.623 . . . . 0.56 109.972 166.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.248 1.016 0 CA-C-O 117.746 -1.121 . . . . 1.67 109.317 -173.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 87.2 m . . . . . 0 N--CA 1.45 -0.461 0 N-CA-C 108.417 -0.957 . . . . 0.79 108.417 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 17.3 t80 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 108.819 -0.808 . . . . 3.55 108.819 -179.234 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.533 0.313 0 N-CA-C 113.691 0.997 . . . . 2.13 113.691 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.2 t -56.29 -38.06 70.72 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 125.093 1.357 . . . . 1.53 111.899 -173.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.9 p -142.91 26.99 1.67 Allowed 'General case' 0 CA--C 1.522 -0.127 0 O-C-N 121.696 -0.628 . . . . 0.55 110.536 167.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.098 0 CA-C-O 115.97 -1.967 . . . . 1.82 108.561 -172.192 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.452 0 N-CA-C 108.789 -0.819 . . . . 1.84 108.789 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 47.6 t80 . . . . . 0 CA--C 1.53 0.179 0 CA-C-O 121.716 0.77 . . . . 3.53 109.071 177.205 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.467 0.404 0 CA-C-O 122.412 1.101 . . . . 2.06 113.358 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -61.72 -41.13 97.22 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 125.54 1.536 . . . . 2.26 110.5 -176.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.1 p -144.63 42.95 1.37 Allowed 'General case' 0 CA--C 1.513 -0.464 0 CA-C-O 121.64 0.733 . . . . 1.33 109.069 164.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.253 1.253 0 CA-C-O 116.081 -1.914 . . . . 1.75 107.818 177.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.435 0 N-CA-C 108.123 -1.066 . . . . 1.99 108.123 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 37.8 t80 . . . . . 0 CA--C 1.529 0.141 0 CA-C-O 121.95 0.881 . . . . 3.02 109.178 -177.358 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.468 0.461 0 CA-C-O 122.15 0.976 . . . . 1.97 113.233 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.6 t -70.52 -31.37 68.43 Favored 'General case' 0 N--CA 1.444 -0.745 0 O-C-N 120.381 -1.45 . . . . 1.97 111.22 -175.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 26.1 p -147.72 39.5 0.96 Allowed 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 108.791 -0.818 . . . . 1.31 108.791 162.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.107 0 CA-C-O 116.787 -1.578 . . . . 1.89 107.952 178.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 20.0 m . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 106.047 -1.835 . . . . 0.68 106.047 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 19.0 t80 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 108.267 -1.012 . . . . 3.52 108.267 -177.804 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.223 -0.335 0 N-CA-C 113.485 0.92 . . . . 2.37 113.485 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.3 t -49.28 -33.29 12.64 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 125.853 1.661 . . . . 1.72 113.36 -173.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.5 p -143.38 26.14 1.65 Allowed 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 118.482 0.583 . . . . 0.47 110.574 169.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.248 1.004 0 CA-C-O 117.774 -1.108 . . . . 1.67 110.013 -169.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 15.3 m . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 107.14 -1.429 . . . . 0.7 107.14 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 107.449 -1.315 . . . . 3.46 107.449 179.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.35 0 N-CA-C 113.094 0.776 . . . . 2.3 113.094 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.8 t -49.61 -31.71 11.3 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 125.61 1.564 . . . . 1.41 112.859 -175.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.6 p -144.94 27.61 1.3 Allowed 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 118.32 0.509 . . . . 0.5 110.388 167.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.063 0 CA-C-O 117.671 -1.157 . . . . 1.67 109.822 -170.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 63.8 m . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 106.802 -1.555 . . . . 0.64 106.802 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.529 0.153 0 N-CA-C 108.655 -0.868 . . . . 3.42 108.655 -174.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.403 0 N-CA-C 112.809 0.67 . . . . 3.92 112.809 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 15.3 t -53.12 -29.93 33.8 Favored 'General case' 0 N--CA 1.443 -0.822 0 C-N-CA 126.552 1.941 . . . . 1.72 112.845 -170.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.7 p -147.24 29.33 0.97 Allowed 'General case' 0 N--CA 1.456 -0.128 0 CA-C-N 118.79 0.723 . . . . 0.48 110.01 163.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 C--O 1.251 1.179 0 CA-C-O 117.017 -1.468 . . . . 1.68 109.669 -172.993 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 86.0 m . . . . . 0 CA--C 1.515 -0.376 0 N-CA-C 106.511 -1.662 . . . . 2.12 106.511 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 57.7 t80 . . . . . 0 N--CA 1.451 -0.397 0 CA-C-O 122.463 1.125 . . . . 3.43 108.413 -179.756 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.304 0 CA-C-O 122.121 0.962 . . . . 2.09 113.576 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.2 t -62.16 -37.03 83.65 Favored 'General case' 0 N--CA 1.448 -0.545 0 O-C-N 120.725 -1.234 . . . . 1.44 110.183 -175.2 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.3 p -139.0 22.8 2.61 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 110.034 -0.358 . . . . 0.47 110.034 172.261 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.252 1.222 0 CA-C-O 116.396 -1.764 . . . . 1.7 108.797 -169.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 76.2 m -142.75 82.05 1.75 Allowed 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 105.876 -1.898 . . . . 0.65 105.876 175.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -87.37 74.17 9.47 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 121.899 0.857 . . . . 2.98 108.757 -172.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' DTR . . . . . 0.421 ' C ' ' H ' ' A' ' 6' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.77 1.84 6.3 Favored 'General case' 0 C--O 1.224 -0.244 0 N-CA-C 113.21 0.818 . . . . 1.54 113.21 -168.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.421 ' H ' ' C ' ' A' ' 4' ' ' DTR . 15.1 t -52.6 -29.56 26.51 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 127.513 2.325 . . . . 1.56 113.054 -172.015 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 10.3 p -145.07 27.14 1.3 Allowed 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 118.772 0.714 . . . . 0.55 110.187 164.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 C--O 1.247 0.941 0 CA-C-O 116.876 -1.535 . . . . 1.63 109.203 -169.253 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 34.9 m -141.79 94.16 2.64 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 119.493 1.042 . . . . 0.67 108.399 -177.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -89.15 69.09 8.29 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-O 122.063 0.935 . . . . 3.09 109.2 -176.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' DTR . . . . . 0.403 ' C ' ' H ' ' A' ' 6' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.02 7.43 1.64 Allowed 'General case' 0 C--O 1.222 -0.359 0 C-N-CA 124.304 1.042 . . . . 1.93 113.718 -177.008 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.403 ' H ' ' C ' ' A' ' 4' ' ' DTR . 5.1 t -49.88 -37.39 30.97 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 125.113 1.365 . . . . 1.4 112.143 -175.745 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.9 p -141.73 30.92 1.66 Allowed 'General case' 0 N--CA 1.456 -0.132 0 O-C-N 121.929 -0.482 . . . . 0.46 110.39 167.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.247 0.954 0 CA-C-O 117.701 -1.142 . . . . 1.66 109.675 -173.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 23.6 m -143.62 92.17 2.32 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 119.921 1.237 . . . . 0.66 107.702 -174.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -84.24 75.76 10.17 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 108.504 -0.924 . . . . 4.34 108.504 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' DTR . . . . . 0.441 ' C ' ' H ' ' A' ' 6' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.45 9.54 0.6 Allowed 'General case' 0 C--O 1.223 -0.323 0 C-N-CA 124.765 1.226 . . . . 1.88 113.644 -178.626 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.441 ' H ' ' C ' ' A' ' 4' ' ' DTR . 7.1 t -56.81 -28.61 61.72 Favored 'General case' 0 N--CA 1.448 -0.568 0 O-C-N 120.467 -1.396 . . . . 1.83 112.031 -175.022 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 15.2 p -148.8 31.75 0.78 Allowed 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 121.224 0.535 . . . . 0.48 109.96 163.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.088 0 CA-C-O 116.189 -1.862 . . . . 1.68 109.363 -174.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 19.7 m -146.95 88.54 1.75 Allowed 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 119.989 1.268 . . . . 0.67 107.781 -170.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -86.81 69.43 10.3 Favored 'General case' 0 CA--C 1.527 0.087 0 CA-C-O 121.886 0.851 . . . . 3.76 108.746 -173.561 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' DTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.67 16.08 0.55 Allowed 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 113.681 0.993 . . . . 1.89 113.681 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.6 t -61.07 -32.62 72.25 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 120.228 -1.545 . . . . 1.5 111.419 -172.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.0 p -144.41 27.52 1.39 Allowed 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 121.041 0.448 . . . . 0.46 109.992 167.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.252 1.23 0 CA-C-O 116.451 -1.738 . . . . 1.73 108.43 -172.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 79.0 m -146.15 79.71 1.55 Allowed 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 106.431 -1.692 . . . . 0.67 106.431 -177.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -82.27 77.57 9.05 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 108.517 -0.919 . . . . 3.6 108.517 -174.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' DTR . . . . . 0.415 ' CZ3' ' HE2' ' A' ' 5' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.415 ' HE2' ' CZ3' ' A' ' 4' ' ' DTR . 0.0 OUTLIER -73.6 3.49 6.22 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-O 121.838 0.828 . . . . 1.66 112.732 -172.386 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.1 t -48.47 -36.26 14.7 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 126.263 1.825 . . . . 1.52 112.202 -173.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.4 p -141.15 24.58 2.13 Favored 'General case' 0 N--CA 1.455 -0.211 0 O-C-N 121.924 -0.485 . . . . 0.52 110.788 168.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 C--O 1.253 1.267 0 CA-C-O 116.972 -1.49 . . . . 1.72 109.826 -167.885 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 91.1 m -134.26 84.64 2.13 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 120.122 1.328 . . . . 0.71 107.507 174.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -88.09 70.08 9.31 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 121.688 0.756 . . . . 3.02 109.005 -174.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' DTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.73 3.36 6.58 Favored 'General case' 0 C--O 1.222 -0.367 0 N-CA-C 112.803 0.668 . . . . 1.75 112.803 -171.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.4 t -45.43 -37.38 5.08 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 126.587 1.955 . . . . 1.62 112.528 -175.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.2 p -140.57 26.73 2.11 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 118.48 0.582 . . . . 0.63 110.844 168.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.251 1.184 0 CA-C-O 116.816 -1.564 . . . . 1.69 110.283 -170.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 68.2 m -140.42 82.91 1.88 Allowed 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 107.264 -1.384 . . . . 0.68 107.264 178.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -87.39 72.55 9.74 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 121.68 0.752 . . . . 3.02 109.155 -174.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' DTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.42 3.31 6.16 Favored 'General case' 0 C--O 1.223 -0.34 0 N-CA-C 112.792 0.664 . . . . 1.88 112.792 -171.598 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.1 t -46.55 -37.08 7.5 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 126.525 1.93 . . . . 1.58 112.37 -174.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.0 p -141.39 28.23 1.85 Allowed 'General case' 0 C--N 1.34 0.176 0 O-C-N 121.844 -0.535 . . . . 0.56 110.508 167.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 117.622 -1.18 . . . . 1.68 110.054 -171.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 39.7 m -148.84 86.0 1.5 Allowed 'General case' 0 C--O 1.226 -0.184 0 N-CA-C 106.523 -1.658 . . . . 0.66 106.523 173.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -85.52 77.2 9.92 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 108.914 -0.773 . . . . 3.84 108.914 -174.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' DTR . . . . . 0.426 ' C ' ' H ' ' A' ' 6' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.409 ' HE2' ' CZ3' ' A' ' 4' ' ' DTR . 0.0 OUTLIER -73.94 5.9 3.8 Favored 'General case' 0 C--O 1.223 -0.32 0 O-C-N 121.695 -0.628 . . . . 1.78 112.654 -170.618 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.426 ' H ' ' C ' ' A' ' 4' ' ' DTR . 9.1 t -49.05 -35.36 15.58 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 125.674 1.59 . . . . 1.7 111.761 -176.076 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 12.9 p -142.85 29.45 1.51 Allowed 'General case' 0 N--CA 1.455 -0.191 0 O-C-N 121.872 -0.517 . . . . 0.46 110.505 165.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 117.636 -1.174 . . . . 1.65 109.909 -171.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 45.5 m -150.05 86.07 1.42 Allowed 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 106.544 -1.65 . . . . 0.67 106.544 178.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -89.08 71.19 8.44 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-O 121.699 0.761 . . . . 3.22 109.377 -171.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' DTR . . . . . 0.415 ' C ' ' H ' ' A' ' 6' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.51 3.92 5.53 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-O 122.214 1.006 . . . . 1.74 112.632 -173.095 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.415 ' H ' ' C ' ' A' ' 4' ' ' DTR . 14.2 t -53.37 -27.04 21.73 Favored 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 126.012 1.725 . . . . 1.64 112.987 -172.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 12.3 p -148.06 27.67 0.95 Allowed 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 118.621 0.646 . . . . 0.46 110.395 163.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.9 p . . . . . 0 C--O 1.25 1.115 0 CA-C-O 117.0 -1.476 . . . . 1.7 109.604 -169.246 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 34.2 m -150.42 84.25 1.37 Allowed 'General case' 0 N--CA 1.456 -0.142 0 N-CA-C 106.617 -1.623 . . . . 0.67 106.617 178.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -84.06 76.7 10.04 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 108.703 -0.851 . . . . 3.32 108.703 -174.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' DTR . . . . . 0.433 ' C ' ' H ' ' A' ' 6' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.92 4.62 3.99 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-O 122.168 0.985 . . . . 1.98 112.61 -172.446 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.433 ' H ' ' C ' ' A' ' 4' ' ' DTR . 12.1 t -53.03 -28.11 22.82 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 126.102 1.761 . . . . 1.44 112.87 -173.611 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.4 p -148.49 28.98 0.87 Allowed 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 118.585 0.63 . . . . 0.45 110.17 163.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.6 p . . . . . 0 C--O 1.248 1.007 0 CA-C-O 117.228 -1.368 . . . . 1.67 109.483 -170.295 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 17.9 m -132.42 88.51 2.54 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 108.091 -1.077 . . . . 0.8 108.091 173.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -85.32 71.47 10.83 Favored 'General case' 0 CA--C 1.528 0.121 0 N-CA-C 108.284 -1.006 . . . . 3.73 108.284 -177.327 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' DTR . . . . . 0.426 ' C ' ' H ' ' A' ' 6' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.88 5.39 3.29 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-O 121.999 0.904 . . . . 1.93 112.443 -172.178 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.426 ' H ' ' C ' ' A' ' 4' ' ' DTR . 8.0 t -54.51 -27.26 36.85 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 125.434 1.493 . . . . 1.46 112.578 -173.482 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.9 p -150.44 29.93 0.69 Allowed 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 118.19 0.45 . . . . 0.5 109.875 165.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.0 p . . . . . 0 C--O 1.25 1.109 0 CA-C-O 117.207 -1.378 . . . . 1.65 109.347 -170.914 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.2 m 178.24 88.48 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 126.063 1.745 . . . . 1.04 107.46 157.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -88.36 70.33 9.08 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-O 121.874 0.845 . . . . 3.29 109.268 -174.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' DTR . . . . . 0.428 ' C ' ' H ' ' A' ' 6' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.01 17.78 0.16 Allowed 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.394 1.078 . . . . 2.08 113.429 178.496 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.428 ' H ' ' C ' ' A' ' 4' ' ' DTR . 0.7 OUTLIER -62.1 -32.02 72.53 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 120.27 -1.519 . . . . 1.88 111.123 -173.177 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 22.3 p -146.61 30.16 1.01 Allowed 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.56 -0.533 . . . . 0.54 109.56 167.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.25 1.079 0 CA-C-O 117.289 -1.339 . . . . 1.65 108.253 -174.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 34.5 m -147.82 78.12 1.44 Allowed 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 105.183 -2.154 . . . . 0.7 105.183 -177.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -74.69 93.39 2.55 Favored 'General case' 0 N--CA 1.448 -0.564 0 N-CA-C 108.113 -1.069 . . . . 4.02 108.113 -176.116 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' DTR . . . . . 0.432 ' C ' ' H ' ' A' ' 6' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.9 7.02 1.27 Allowed 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 113.332 0.864 . . . . 3.09 113.332 176.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.432 ' H ' ' C ' ' A' ' 4' ' ' DTR . 3.3 t -52.54 -32.66 41.75 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 125.296 1.439 . . . . 1.9 113.131 -170.556 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.9 p -142.99 21.24 1.95 Allowed 'General case' 0 N--CA 1.457 -0.115 0 CA-C-N 118.228 0.467 . . . . 0.47 110.848 167.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.7 p . . . . . 0 C--O 1.25 1.105 0 CA-C-O 116.878 -1.535 . . . . 1.89 109.713 -167.258 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 56.2 m -133.4 78.15 1.76 Allowed 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 107.133 -1.432 . . . . 0.83 107.133 177.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -86.76 74.12 9.87 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 121.886 0.85 . . . . 4.16 108.711 -176.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' DTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.57 -0.65 11.14 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-O 121.774 0.797 . . . . 2.02 112.703 -171.142 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.6 t -49.54 -39.4 34.49 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 126.547 1.939 . . . . 1.59 112.362 -172.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.7 p -145.3 31.09 1.11 Allowed 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 120.143 -0.623 . . . . 0.56 109.972 166.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.248 1.016 0 CA-C-O 117.746 -1.121 . . . . 1.67 109.317 -173.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 87.2 m -134.14 81.71 1.93 Allowed 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 120.268 1.395 . . . . 0.79 108.417 -175.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -84.48 71.18 10.75 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 108.819 -0.808 . . . . 3.55 108.819 -179.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' DTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.87 7.07 4.26 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 113.691 0.997 . . . . 2.13 113.691 -177.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.2 t -56.29 -38.06 70.72 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 125.093 1.357 . . . . 1.53 111.899 -173.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.9 p -142.91 26.99 1.67 Allowed 'General case' 0 CA--C 1.522 -0.127 0 O-C-N 121.696 -0.628 . . . . 0.55 110.536 167.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.098 0 CA-C-O 115.97 -1.967 . . . . 1.82 108.561 -172.192 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.01 101.99 9.75 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 120.368 1.44 . . . . 1.84 108.789 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -83.59 73.71 10.2 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 121.716 0.77 . . . . 3.53 109.071 177.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' DTR . . . . . 0.476 ' C ' ' H ' ' A' ' 6' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.79 16.09 0.24 Allowed 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 122.412 1.101 . . . . 2.06 113.358 179.4 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.476 ' H ' ' C ' ' A' ' 4' ' ' DTR . 0.1 OUTLIER -61.72 -41.13 97.22 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 125.54 1.536 . . . . 2.26 110.5 -176.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.1 p -144.63 42.95 1.37 Allowed 'General case' 0 CA--C 1.513 -0.464 0 CA-C-O 121.64 0.733 . . . . 1.33 109.069 164.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.253 1.253 0 CA-C-O 116.081 -1.914 . . . . 1.75 107.818 177.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -148.93 111.6 4.78 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 108.123 -1.066 . . . . 1.99 108.123 171.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -94.2 72.44 3.93 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-O 121.95 0.881 . . . . 3.02 109.178 -177.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' DTR . . . . . 0.48 ' C ' ' H ' ' A' ' 6' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.72 19.58 0.08 Allowed 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.643 1.177 . . . . 1.97 113.233 -179.537 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.48 ' H ' ' C ' ' A' ' 4' ' ' DTR . 2.6 t -70.52 -31.37 68.43 Favored 'General case' 0 N--CA 1.444 -0.745 0 O-C-N 120.381 -1.45 . . . . 1.97 111.22 -175.353 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 26.1 p -147.72 39.5 0.96 Allowed 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 108.791 -0.818 . . . . 1.31 108.791 162.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.107 0 CA-C-O 116.787 -1.578 . . . . 1.89 107.952 178.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 20.0 m -146.33 79.96 1.55 Allowed 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 106.047 -1.835 . . . . 0.68 106.047 172.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -80.62 80.98 6.98 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 108.267 -1.012 . . . . 3.52 108.267 -177.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' DTR . . . . . 0.451 ' C ' ' H ' ' A' ' 6' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.98 5.55 1.12 Allowed 'General case' 0 C--O 1.223 -0.335 0 N-CA-C 113.485 0.92 . . . . 2.37 113.485 179.304 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.451 ' H ' ' C ' ' A' ' 4' ' ' DTR . 5.3 t -49.28 -33.29 12.64 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 125.853 1.661 . . . . 1.72 113.36 -173.268 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.5 p -143.38 26.14 1.65 Allowed 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 118.482 0.583 . . . . 0.47 110.574 169.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.248 1.004 0 CA-C-O 117.774 -1.108 . . . . 1.67 110.013 -169.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 15.3 m -138.92 83.47 1.96 Allowed 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 107.14 -1.429 . . . . 0.7 107.14 171.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -79.63 81.06 5.95 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 107.449 -1.315 . . . . 3.46 107.449 179.65 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' DTR . . . . . 0.469 ' C ' ' H ' ' A' ' 6' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.3 7.1 0.83 Allowed 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 113.094 0.776 . . . . 2.3 113.094 178.049 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.469 ' H ' ' C ' ' A' ' 4' ' ' DTR . 5.8 t -49.61 -31.71 11.3 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 125.61 1.564 . . . . 1.41 112.859 -175.034 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.6 p -144.94 27.61 1.3 Allowed 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 118.32 0.509 . . . . 0.5 110.388 167.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.063 0 CA-C-O 117.671 -1.157 . . . . 1.67 109.822 -170.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 63.8 m -145.63 82.22 1.63 Allowed 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 106.802 -1.555 . . . . 0.64 106.802 176.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -84.08 78.27 9.79 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 108.655 -0.868 . . . . 3.42 108.655 -174.215 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' DTR . . . . . 0.43 ' C ' ' H ' ' A' ' 6' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.24 1.04 6.59 Favored 'General case' 0 C--O 1.221 -0.403 0 N-CA-C 112.809 0.67 . . . . 3.92 112.809 -168.331 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.43 ' H ' ' C ' ' A' ' 4' ' ' DTR . 15.3 t -53.12 -29.93 33.8 Favored 'General case' 0 N--CA 1.443 -0.822 0 C-N-CA 126.552 1.941 . . . . 1.72 112.845 -170.64 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.7 p -147.24 29.33 0.97 Allowed 'General case' 0 N--CA 1.456 -0.128 0 CA-C-N 118.79 0.723 . . . . 0.48 110.01 163.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 C--O 1.251 1.179 0 CA-C-O 117.017 -1.468 . . . . 1.68 109.669 -172.993 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 86.0 m 112.63 73.32 0.0 OUTLIER 'General case' 0 CA--C 1.515 -0.376 0 C-N-CA 128.809 2.843 . . . . 2.12 106.511 166.672 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -84.21 61.46 6.55 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 122.463 1.125 . . . . 3.43 108.413 -179.756 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' DTR . . . . . 0.446 ' C ' ' H ' ' A' ' 6' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.86 18.42 0.18 Allowed 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 125.101 1.36 . . . . 2.09 113.576 -176.391 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.446 ' H ' ' C ' ' A' ' 4' ' ' DTR . 2.2 t -62.16 -37.03 83.65 Favored 'General case' 0 N--CA 1.448 -0.545 0 O-C-N 120.725 -1.234 . . . . 1.44 110.183 -175.2 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.3 p -139.0 22.8 2.61 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 110.034 -0.358 . . . . 0.47 110.034 172.261 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.252 1.222 0 CA-C-O 116.396 -1.764 . . . . 1.7 108.797 -169.005 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 76.2 m . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 105.876 -1.898 . . . . 0.54 105.876 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 69.7 t80 . . . . . 0 N--CA 1.452 -0.367 0 CA-C-O 121.899 0.857 . . . . 1.78 108.757 -172.97 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.224 -0.244 0 N-CA-C 113.21 0.818 . . . . 0.8 113.21 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 15.1 t -52.6 -29.56 26.51 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 127.513 2.325 . . . . 0.33 113.054 -172.015 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 10.3 p -145.07 27.14 1.3 Allowed 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 118.772 0.714 . . . . 0.55 110.187 164.439 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 C--O 1.247 0.941 0 CA-C-O 116.876 -1.535 . . . . 1.63 109.203 -169.253 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 34.9 m . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 108.399 -0.963 . . . . 0.58 108.399 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 42.2 t80 . . . . . 0 N--CA 1.455 -0.18 0 CA-C-O 122.063 0.935 . . . . 1.88 109.2 -176.17 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.222 -0.359 0 N-CA-C 113.718 1.007 . . . . 0.9 113.718 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.1 t -49.88 -37.39 30.97 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 125.113 1.365 . . . . 0.27 112.143 -175.745 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.9 p -141.73 30.92 1.66 Allowed 'General case' 0 N--CA 1.456 -0.132 0 O-C-N 121.929 -0.482 . . . . 0.46 110.39 167.346 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.247 0.954 0 CA-C-O 117.701 -1.142 . . . . 1.66 109.675 -173.321 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 23.6 m . . . . . 0 N--CA 1.451 -0.388 0 N-CA-C 107.702 -1.222 . . . . 0.66 107.702 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 87.1 t80 . . . . . 0 N--CA 1.455 -0.21 0 N-CA-C 108.504 -0.924 . . . . 2.81 108.504 -179.793 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.223 -0.323 0 N-CA-C 113.644 0.979 . . . . 0.88 113.644 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.1 t -56.81 -28.61 61.72 Favored 'General case' 0 N--CA 1.448 -0.568 0 O-C-N 120.467 -1.396 . . . . 0.31 112.031 -175.022 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 15.2 p -148.8 31.75 0.78 Allowed 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 121.224 0.535 . . . . 0.48 109.96 163.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.088 0 CA-C-O 116.189 -1.862 . . . . 1.68 109.363 -174.488 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 19.7 m . . . . . 0 N--CA 1.449 -0.478 0 N-CA-C 107.781 -1.192 . . . . 0.56 107.781 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.527 0.087 0 CA-C-O 121.886 0.851 . . . . 2.33 108.746 -173.561 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.34 0 N-CA-C 113.681 0.993 . . . . 0.88 113.681 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.42 HG22 ' H ' ' A' ' 6' ' ' THR . 1.6 t -61.07 -32.62 72.25 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 120.228 -1.545 . . . . 0.3 111.419 -172.783 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.0 p -144.41 27.52 1.39 Allowed 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 121.041 0.448 . . . . 0.46 109.992 167.173 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.252 1.23 0 CA-C-O 116.451 -1.738 . . . . 1.73 108.43 -172.629 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 79.0 m . . . . . 0 N--CA 1.45 -0.426 0 N-CA-C 106.431 -1.692 . . . . 0.56 106.431 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 24.8 t80 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 108.517 -0.919 . . . . 2.14 108.517 -174.727 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.223 -0.305 0 CA-C-O 121.838 0.828 . . . . 0.92 112.732 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.1 t -48.47 -36.26 14.7 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 126.263 1.825 . . . . 0.29 112.202 -173.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.4 p -141.15 24.58 2.13 Favored 'General case' 0 N--CA 1.455 -0.211 0 O-C-N 121.924 -0.485 . . . . 0.52 110.788 168.372 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 C--O 1.253 1.267 0 CA-C-O 116.972 -1.49 . . . . 1.72 109.826 -167.885 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 91.1 m . . . . . 0 N--CA 1.455 -0.211 0 N-CA-C 107.507 -1.294 . . . . 0.56 107.507 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 37.9 t80 . . . . . 0 N--CA 1.455 -0.219 0 CA-C-O 121.688 0.756 . . . . 1.83 109.005 -174.604 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.222 -0.367 0 N-CA-C 112.803 0.668 . . . . 0.84 112.803 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.4 t -45.43 -37.38 5.08 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 126.587 1.955 . . . . 0.4 112.528 -175.308 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.2 p -140.57 26.73 2.11 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 118.48 0.582 . . . . 0.63 110.844 168.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.251 1.184 0 CA-C-O 116.816 -1.564 . . . . 1.69 110.283 -170.612 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 68.2 m . . . . . 0 N--CA 1.454 -0.243 0 N-CA-C 107.264 -1.384 . . . . 0.52 107.264 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 38.8 t80 . . . . . 0 N--CA 1.454 -0.23 0 CA-C-O 121.68 0.752 . . . . 1.82 109.155 -174.785 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.223 -0.34 0 N-CA-C 112.792 0.664 . . . . 0.89 112.792 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.1 t -46.55 -37.08 7.5 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 126.525 1.93 . . . . 0.36 112.37 -174.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.0 p -141.39 28.23 1.85 Allowed 'General case' 0 C--N 1.34 0.176 0 O-C-N 121.844 -0.535 . . . . 0.56 110.508 167.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 117.622 -1.18 . . . . 1.68 110.054 -171.525 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 39.7 m . . . . . 0 C--O 1.226 -0.184 0 N-CA-C 106.523 -1.658 . . . . 0.53 106.523 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 12.0 t80 . . . . . 0 CA--C 1.53 0.196 0 N-CA-C 108.914 -0.773 . . . . 2.38 108.914 -174.61 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.223 -0.32 0 CA-C-O 121.404 0.621 . . . . 1.0 112.654 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.1 t -49.05 -35.36 15.58 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 125.674 1.59 . . . . 0.26 111.761 -176.076 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 12.9 p -142.85 29.45 1.51 Allowed 'General case' 0 N--CA 1.455 -0.191 0 O-C-N 121.872 -0.517 . . . . 0.46 110.505 165.091 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 117.636 -1.174 . . . . 1.65 109.909 -171.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 45.5 m . . . . . 0 N--CA 1.456 -0.166 0 N-CA-C 106.544 -1.65 . . . . 0.53 106.544 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 31.7 t80 . . . . . 0 N--CA 1.456 -0.165 0 CA-C-O 121.699 0.761 . . . . 1.98 109.377 -171.017 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.224 -0.274 0 CA-C-O 122.214 1.006 . . . . 0.96 112.632 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.2 t -53.37 -27.04 21.73 Favored 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 126.012 1.725 . . . . 0.35 112.987 -172.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 12.3 p -148.06 27.67 0.95 Allowed 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 118.621 0.646 . . . . 0.46 110.395 163.505 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.9 p . . . . . 0 C--O 1.25 1.115 0 CA-C-O 117.0 -1.476 . . . . 1.7 109.604 -169.246 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 34.2 m . . . . . 0 N--CA 1.456 -0.142 0 N-CA-C 106.617 -1.623 . . . . 0.54 106.617 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 4.9 t80 . . . . . 0 CA--C 1.531 0.218 0 N-CA-C 108.703 -0.851 . . . . 2.04 108.703 -174.16 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.224 -0.283 0 CA-C-O 122.168 0.985 . . . . 0.95 112.61 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.1 t -53.03 -28.11 22.82 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 126.102 1.761 . . . . 0.34 112.87 -173.611 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.4 p -148.49 28.98 0.87 Allowed 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 118.585 0.63 . . . . 0.45 110.17 163.549 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.6 p . . . . . 0 C--O 1.248 1.007 0 CA-C-O 117.228 -1.368 . . . . 1.67 109.483 -170.295 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 17.9 m . . . . . 0 N--CA 1.449 -0.482 0 N-CA-C 108.091 -1.077 . . . . 0.62 108.091 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.528 0.121 0 N-CA-C 108.284 -1.006 . . . . 2.4 108.284 -177.327 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.224 -0.24 0 CA-C-O 121.999 0.904 . . . . 0.89 112.443 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.0 t -54.51 -27.26 36.85 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 125.434 1.493 . . . . 0.26 112.578 -173.482 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.9 p -150.44 29.93 0.69 Allowed 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 118.19 0.45 . . . . 0.5 109.875 165.5 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.0 p . . . . . 0 C--O 1.25 1.109 0 CA-C-O 117.207 -1.378 . . . . 1.65 109.347 -170.914 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.54 ' SG ' HG23 ' A' ' 6' ' ' THR . 1.2 m . . . . . 0 CA--C 1.53 0.182 0 N-CA-C 107.46 -1.311 . . . . 0.93 107.46 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 63.1 t80 . . . . . 0 CA--C 1.528 0.131 0 CA-C-O 121.874 0.845 . . . . 2.07 109.268 -174.787 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.533 0.319 0 N-CA-C 113.429 0.9 . . . . 1.07 113.429 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.54 HG23 ' SG ' ' A' ' 2' ' ' CYS . 0.7 OUTLIER -62.1 -32.02 72.53 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 120.27 -1.519 . . . . 0.33 111.123 -173.177 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 22.3 p -146.61 30.16 1.01 Allowed 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.56 -0.533 . . . . 0.54 109.56 167.554 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.25 1.079 0 CA-C-O 117.289 -1.339 . . . . 1.61 108.253 -174.053 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 34.5 m . . . . . 0 N--CA 1.448 -0.557 0 N-CA-C 105.183 -2.154 . . . . 0.57 105.183 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.448 -0.564 0 N-CA-C 108.113 -1.069 . . . . 2.65 108.113 -176.116 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.537 0.465 0 N-CA-C 113.332 0.864 . . . . 1.62 113.332 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.3 t -52.54 -32.66 41.75 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 125.296 1.439 . . . . 0.35 113.131 -170.556 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.9 p -142.99 21.24 1.95 Allowed 'General case' 0 N--CA 1.457 -0.115 0 CA-C-N 118.228 0.467 . . . . 0.46 110.848 167.027 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.7 p . . . . . 0 C--O 1.25 1.105 0 CA-C-O 116.878 -1.535 . . . . 1.89 109.713 -167.258 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 56.2 m . . . . . 0 N--CA 1.444 -0.754 0 N-CA-C 107.133 -1.432 . . . . 0.65 107.133 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 68.4 t80 . . . . . 0 N--CA 1.452 -0.364 0 CA-C-O 121.886 0.85 . . . . 2.71 108.711 -176.894 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.223 -0.318 0 CA-C-O 121.774 0.797 . . . . 1.06 112.703 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.6 t -49.54 -39.4 34.49 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 126.547 1.939 . . . . 0.36 112.362 -172.326 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.7 p -145.3 31.09 1.11 Allowed 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 120.143 -0.623 . . . . 0.56 109.972 166.207 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.248 1.016 0 CA-C-O 117.746 -1.121 . . . . 1.67 109.317 -173.288 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 87.2 m . . . . . 0 N--CA 1.45 -0.461 0 N-CA-C 108.417 -0.957 . . . . 0.53 108.417 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 17.3 t80 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 108.819 -0.808 . . . . 2.08 108.819 -179.234 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.533 0.313 0 N-CA-C 113.691 0.997 . . . . 1.3 113.691 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.2 t -56.29 -38.06 70.72 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 125.093 1.357 . . . . 0.31 111.899 -173.452 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.9 p -142.91 26.99 1.67 Allowed 'General case' 0 CA--C 1.522 -0.127 0 O-C-N 121.696 -0.628 . . . . 0.55 110.536 167.274 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.098 0 CA-C-O 115.97 -1.967 . . . . 1.82 108.561 -172.192 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.799 ' HB3' HG23 ' A' ' 6' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.452 0 N-CA-C 108.789 -0.819 . . . . 1.29 108.789 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 47.6 t80 . . . . . 0 CA--C 1.53 0.179 0 CA-C-O 121.716 0.77 . . . . 2.08 109.071 177.205 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.467 0.404 0 CA-C-O 122.412 1.101 . . . . 1.02 113.358 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.799 HG23 ' HB3' ' A' ' 2' ' ' CYS . 0.1 OUTLIER -61.72 -41.13 97.22 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 125.54 1.536 . . . . 0.61 110.5 -176.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.1 p -144.63 42.95 1.37 Allowed 'General case' 0 CA--C 1.513 -0.464 0 CA-C-O 121.64 0.733 . . . . 1.33 109.069 164.809 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.253 1.253 0 CA-C-O 116.081 -1.914 . . . . 1.75 107.818 177.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.82 ' HB3' HG23 ' A' ' 6' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.435 0 N-CA-C 108.123 -1.066 . . . . 1.42 108.123 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 37.8 t80 . . . . . 0 CA--C 1.529 0.141 0 CA-C-O 121.95 0.881 . . . . 1.8 109.178 -177.358 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.468 0.461 0 CA-C-O 122.15 0.976 . . . . 0.93 113.233 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.82 HG23 ' HB3' ' A' ' 2' ' ' CYS . 2.6 t -70.52 -31.37 68.43 Favored 'General case' 0 N--CA 1.444 -0.745 0 O-C-N 120.381 -1.45 . . . . 0.64 111.22 -175.353 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 26.1 p -147.72 39.5 0.96 Allowed 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 108.791 -0.818 . . . . 1.31 108.791 162.63 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.107 0 CA-C-O 116.787 -1.578 . . . . 1.8 107.952 178.573 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 20.0 m . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 106.047 -1.835 . . . . 0.5 106.047 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 19.0 t80 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 108.267 -1.012 . . . . 2.28 108.267 -177.804 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.223 -0.335 0 N-CA-C 113.485 0.92 . . . . 1.51 113.485 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.3 t -49.28 -33.29 12.64 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 125.853 1.661 . . . . 0.25 113.36 -173.268 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.5 p -143.38 26.14 1.65 Allowed 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 118.482 0.583 . . . . 0.47 110.574 169.343 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.248 1.004 0 CA-C-O 117.774 -1.108 . . . . 1.67 110.013 -169.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 15.3 m . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 107.14 -1.429 . . . . 0.5 107.14 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 107.449 -1.315 . . . . 2.09 107.449 179.65 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.35 0 N-CA-C 113.094 0.776 . . . . 0.91 113.094 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.8 t -49.61 -31.71 11.3 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 125.61 1.564 . . . . 0.25 112.859 -175.034 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.6 p -144.94 27.61 1.3 Allowed 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 118.32 0.509 . . . . 0.5 110.388 167.71 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.063 0 CA-C-O 117.671 -1.157 . . . . 1.67 109.822 -170.434 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 63.8 m . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 106.802 -1.555 . . . . 0.52 106.802 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.529 0.153 0 N-CA-C 108.655 -0.868 . . . . 2.14 108.655 -174.215 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.403 0 N-CA-C 112.809 0.67 . . . . 2.52 112.809 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 15.3 t -53.12 -29.93 33.8 Favored 'General case' 0 N--CA 1.443 -0.822 0 C-N-CA 126.552 1.941 . . . . 0.32 112.845 -170.64 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.7 p -147.24 29.33 0.97 Allowed 'General case' 0 N--CA 1.456 -0.128 0 CA-C-N 118.79 0.723 . . . . 0.48 110.01 163.692 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 C--O 1.251 1.179 0 CA-C-O 117.017 -1.468 . . . . 1.68 109.669 -172.993 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 86.0 m . . . . . 0 CA--C 1.515 -0.376 0 N-CA-C 106.511 -1.662 . . . . 0.61 106.511 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 57.7 t80 . . . . . 0 N--CA 1.451 -0.397 0 CA-C-O 122.463 1.125 . . . . 2.19 108.413 -179.756 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.304 0 CA-C-O 122.121 0.962 . . . . 1.05 113.576 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.417 ' H ' HG22 ' A' ' 6' ' ' THR . 2.2 t -62.16 -37.03 83.65 Favored 'General case' 0 N--CA 1.448 -0.545 0 O-C-N 120.725 -1.234 . . . . 0.41 110.183 -175.2 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.3 p -139.0 22.8 2.61 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 110.034 -0.358 . . . . 0.47 110.034 172.261 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.252 1.222 0 CA-C-O 116.396 -1.764 . . . . 1.7 108.797 -169.005 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 76.2 m -142.75 82.05 1.75 Allowed 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 105.876 -1.898 . . . . 0.54 105.876 175.026 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -87.37 74.17 9.47 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 121.899 0.857 . . . . 1.78 108.757 -172.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' DTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.77 1.84 6.3 Favored 'General case' 0 C--O 1.224 -0.244 0 N-CA-C 113.21 0.818 . . . . 0.8 113.21 -168.693 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 15.1 t -52.6 -29.56 26.51 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 127.513 2.325 . . . . 0.33 113.054 -172.015 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 10.3 p -145.07 27.14 1.3 Allowed 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 118.772 0.714 . . . . 0.55 110.187 164.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 C--O 1.247 0.941 0 CA-C-O 116.876 -1.535 . . . . 1.63 109.203 -169.253 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 34.9 m -141.79 94.16 2.64 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 119.493 1.042 . . . . 0.58 108.399 -177.105 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -89.15 69.09 8.29 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-O 122.063 0.935 . . . . 1.88 109.2 -176.17 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' DTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.02 7.43 1.64 Allowed 'General case' 0 C--O 1.222 -0.359 0 C-N-CA 124.304 1.042 . . . . 0.9 113.718 -177.008 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.1 t -49.88 -37.39 30.97 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 125.113 1.365 . . . . 0.27 112.143 -175.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.9 p -141.73 30.92 1.66 Allowed 'General case' 0 N--CA 1.456 -0.132 0 O-C-N 121.929 -0.482 . . . . 0.46 110.39 167.346 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.247 0.954 0 CA-C-O 117.701 -1.142 . . . . 1.66 109.675 -173.321 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 23.6 m -143.62 92.17 2.32 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 119.921 1.237 . . . . 0.66 107.702 -174.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -84.24 75.76 10.17 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 108.504 -0.924 . . . . 2.81 108.504 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' DTR . . . . . 0.402 ' C ' ' H ' ' A' ' 6' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.45 9.54 0.6 Allowed 'General case' 0 C--O 1.223 -0.323 0 C-N-CA 124.765 1.226 . . . . 0.88 113.644 -178.626 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.402 ' H ' ' C ' ' A' ' 4' ' ' DTR . 7.1 t -56.81 -28.61 61.72 Favored 'General case' 0 N--CA 1.448 -0.568 0 O-C-N 120.467 -1.396 . . . . 0.31 112.031 -175.022 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 15.2 p -148.8 31.75 0.78 Allowed 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 121.224 0.535 . . . . 0.48 109.96 163.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.088 0 CA-C-O 116.189 -1.862 . . . . 1.68 109.363 -174.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 19.7 m -146.95 88.54 1.75 Allowed 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 119.989 1.268 . . . . 0.56 107.781 -170.44 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -86.81 69.43 10.3 Favored 'General case' 0 CA--C 1.527 0.087 0 CA-C-O 121.886 0.851 . . . . 2.33 108.746 -173.561 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' DTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.67 16.08 0.55 Allowed 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 113.681 0.993 . . . . 0.88 113.681 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.42 HG22 ' H ' ' A' ' 6' ' ' THR . 1.6 t -61.07 -32.62 72.25 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 120.228 -1.545 . . . . 0.3 111.419 -172.783 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.0 p -144.41 27.52 1.39 Allowed 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 121.041 0.448 . . . . 0.46 109.992 167.173 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.252 1.23 0 CA-C-O 116.451 -1.738 . . . . 1.73 108.43 -172.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 79.0 m -146.15 79.71 1.55 Allowed 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 106.431 -1.692 . . . . 0.56 106.431 -177.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -82.27 77.57 9.05 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 108.517 -0.919 . . . . 2.14 108.517 -174.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' DTR . . . . . 0.421 ' CZ3' ' HE2' ' A' ' 5' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.421 ' HE2' ' CZ3' ' A' ' 4' ' ' DTR . 0.0 OUTLIER -73.6 3.49 6.22 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-O 121.838 0.828 . . . . 0.92 112.732 -172.386 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.1 t -48.47 -36.26 14.7 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 126.263 1.825 . . . . 0.29 112.202 -173.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.4 p -141.15 24.58 2.13 Favored 'General case' 0 N--CA 1.455 -0.211 0 O-C-N 121.924 -0.485 . . . . 0.52 110.788 168.372 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 C--O 1.253 1.267 0 CA-C-O 116.972 -1.49 . . . . 1.72 109.826 -167.885 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 91.1 m -134.26 84.64 2.13 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 120.122 1.328 . . . . 0.56 107.507 174.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -88.09 70.08 9.31 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 121.688 0.756 . . . . 1.83 109.005 -174.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' DTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.73 3.36 6.58 Favored 'General case' 0 C--O 1.222 -0.367 0 N-CA-C 112.803 0.668 . . . . 0.84 112.803 -171.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.4 t -45.43 -37.38 5.08 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 126.587 1.955 . . . . 0.4 112.528 -175.308 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.2 p -140.57 26.73 2.11 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 118.48 0.582 . . . . 0.63 110.844 168.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.251 1.184 0 CA-C-O 116.816 -1.564 . . . . 1.69 110.283 -170.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 68.2 m -140.42 82.91 1.88 Allowed 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 107.264 -1.384 . . . . 0.52 107.264 178.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -87.39 72.55 9.74 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 121.68 0.752 . . . . 1.82 109.155 -174.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' DTR . . . . . 0.404 ' CZ3' ' HE2' ' A' ' 5' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.404 ' HE2' ' CZ3' ' A' ' 4' ' ' DTR . 0.0 OUTLIER -73.42 3.31 6.16 Favored 'General case' 0 C--O 1.223 -0.34 0 N-CA-C 112.792 0.664 . . . . 0.89 112.792 -171.598 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.1 t -46.55 -37.08 7.5 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 126.525 1.93 . . . . 0.36 112.37 -174.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.0 p -141.39 28.23 1.85 Allowed 'General case' 0 C--N 1.34 0.176 0 O-C-N 121.844 -0.535 . . . . 0.56 110.508 167.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 117.622 -1.18 . . . . 1.68 110.054 -171.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 39.7 m -148.84 86.0 1.5 Allowed 'General case' 0 C--O 1.226 -0.184 0 N-CA-C 106.523 -1.658 . . . . 0.53 106.523 173.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -85.52 77.2 9.92 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 108.914 -0.773 . . . . 2.38 108.914 -174.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' DTR . . . . . 0.418 ' CZ3' ' HE2' ' A' ' 5' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.418 ' HE2' ' CZ3' ' A' ' 4' ' ' DTR . 0.0 OUTLIER -73.94 5.9 3.8 Favored 'General case' 0 C--O 1.223 -0.32 0 O-C-N 121.695 -0.628 . . . . 1.0 112.654 -170.618 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.1 t -49.05 -35.36 15.58 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 125.674 1.59 . . . . 0.26 111.761 -176.076 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 12.9 p -142.85 29.45 1.51 Allowed 'General case' 0 N--CA 1.455 -0.191 0 O-C-N 121.872 -0.517 . . . . 0.46 110.505 165.091 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 117.636 -1.174 . . . . 1.65 109.909 -171.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 45.5 m -150.05 86.07 1.42 Allowed 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 106.544 -1.65 . . . . 0.53 106.544 178.524 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -89.08 71.19 8.44 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-O 121.699 0.761 . . . . 1.98 109.377 -171.017 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' DTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.51 3.92 5.53 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-O 122.214 1.006 . . . . 0.96 112.632 -173.095 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.2 t -53.37 -27.04 21.73 Favored 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 126.012 1.725 . . . . 0.35 112.987 -172.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 12.3 p -148.06 27.67 0.95 Allowed 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 118.621 0.646 . . . . 0.46 110.395 163.505 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.9 p . . . . . 0 C--O 1.25 1.115 0 CA-C-O 117.0 -1.476 . . . . 1.7 109.604 -169.246 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 34.2 m -150.42 84.25 1.37 Allowed 'General case' 0 N--CA 1.456 -0.142 0 N-CA-C 106.617 -1.623 . . . . 0.54 106.617 178.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -84.06 76.7 10.04 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 108.703 -0.851 . . . . 2.04 108.703 -174.16 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' DTR . . . . . 0.405 ' C ' ' H ' ' A' ' 6' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.92 4.62 3.99 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-O 122.168 0.985 . . . . 0.95 112.61 -172.446 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.405 ' H ' ' C ' ' A' ' 4' ' ' DTR . 12.1 t -53.03 -28.11 22.82 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 126.102 1.761 . . . . 0.34 112.87 -173.611 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.4 p -148.49 28.98 0.87 Allowed 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 118.585 0.63 . . . . 0.45 110.17 163.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.6 p . . . . . 0 C--O 1.248 1.007 0 CA-C-O 117.228 -1.368 . . . . 1.67 109.483 -170.295 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 17.9 m -132.42 88.51 2.54 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 108.091 -1.077 . . . . 0.62 108.091 173.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -85.32 71.47 10.83 Favored 'General case' 0 CA--C 1.528 0.121 0 N-CA-C 108.284 -1.006 . . . . 2.4 108.284 -177.327 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' DTR . . . . . 0.411 ' C ' ' H ' ' A' ' 6' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.88 5.39 3.29 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-O 121.999 0.904 . . . . 0.89 112.443 -172.178 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.411 ' H ' ' C ' ' A' ' 4' ' ' DTR . 8.0 t -54.51 -27.26 36.85 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 125.434 1.493 . . . . 0.26 112.578 -173.482 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.9 p -150.44 29.93 0.69 Allowed 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 118.19 0.45 . . . . 0.5 109.875 165.5 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.0 p . . . . . 0 C--O 1.25 1.109 0 CA-C-O 117.207 -1.378 . . . . 1.65 109.347 -170.914 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.54 ' SG ' HG23 ' A' ' 6' ' ' THR . 1.2 m 178.24 88.48 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 126.063 1.745 . . . . 0.93 107.46 157.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -88.36 70.33 9.08 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-O 121.874 0.845 . . . . 2.07 109.268 -174.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' DTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.01 17.78 0.16 Allowed 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.394 1.078 . . . . 1.07 113.429 178.496 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.54 HG23 ' SG ' ' A' ' 2' ' ' CYS . 0.7 OUTLIER -62.1 -32.02 72.53 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 120.27 -1.519 . . . . 0.33 111.123 -173.177 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 22.3 p -146.61 30.16 1.01 Allowed 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.56 -0.533 . . . . 0.54 109.56 167.554 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.25 1.079 0 CA-C-O 117.289 -1.339 . . . . 1.61 108.253 -174.053 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 34.5 m -147.82 78.12 1.44 Allowed 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 105.183 -2.154 . . . . 0.57 105.183 -177.376 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -74.69 93.39 2.55 Favored 'General case' 0 N--CA 1.448 -0.564 0 N-CA-C 108.113 -1.069 . . . . 2.65 108.113 -176.116 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' DTR . . . . . 0.407 ' C ' ' H ' ' A' ' 6' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.9 7.02 1.27 Allowed 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 113.332 0.864 . . . . 1.62 113.332 176.818 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.407 ' H ' ' C ' ' A' ' 4' ' ' DTR . 3.3 t -52.54 -32.66 41.75 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 125.296 1.439 . . . . 0.35 113.131 -170.556 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.9 p -142.99 21.24 1.95 Allowed 'General case' 0 N--CA 1.457 -0.115 0 CA-C-N 118.228 0.467 . . . . 0.46 110.848 167.027 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.7 p . . . . . 0 C--O 1.25 1.105 0 CA-C-O 116.878 -1.535 . . . . 1.89 109.713 -167.258 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 56.2 m -133.4 78.15 1.76 Allowed 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 107.133 -1.432 . . . . 0.65 107.133 177.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -86.76 74.12 9.87 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 121.886 0.85 . . . . 2.71 108.711 -176.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' DTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.57 -0.65 11.14 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-O 121.774 0.797 . . . . 1.06 112.703 -171.142 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.6 t -49.54 -39.4 34.49 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 126.547 1.939 . . . . 0.36 112.362 -172.326 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.7 p -145.3 31.09 1.11 Allowed 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 120.143 -0.623 . . . . 0.56 109.972 166.207 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.248 1.016 0 CA-C-O 117.746 -1.121 . . . . 1.67 109.317 -173.288 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 87.2 m -134.14 81.71 1.93 Allowed 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 120.268 1.395 . . . . 0.53 108.417 -175.384 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -84.48 71.18 10.75 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 108.819 -0.808 . . . . 2.08 108.819 -179.234 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' DTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.87 7.07 4.26 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 113.691 0.997 . . . . 1.3 113.691 -177.764 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.2 t -56.29 -38.06 70.72 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 125.093 1.357 . . . . 0.31 111.899 -173.452 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.9 p -142.91 26.99 1.67 Allowed 'General case' 0 CA--C 1.522 -0.127 0 O-C-N 121.696 -0.628 . . . . 0.55 110.536 167.274 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.098 0 CA-C-O 115.97 -1.967 . . . . 1.82 108.561 -172.192 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.799 ' HB3' HG23 ' A' ' 6' ' ' THR . 0.0 OUTLIER -114.01 101.99 9.75 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 120.368 1.44 . . . . 1.29 108.789 179.914 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -83.59 73.71 10.2 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 121.716 0.77 . . . . 2.08 109.071 177.205 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' DTR . . . . . 0.44 ' C ' ' H ' ' A' ' 6' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.79 16.09 0.24 Allowed 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 122.412 1.101 . . . . 1.02 113.358 179.4 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.799 HG23 ' HB3' ' A' ' 2' ' ' CYS . 0.1 OUTLIER -61.72 -41.13 97.22 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 125.54 1.536 . . . . 0.61 110.5 -176.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.1 p -144.63 42.95 1.37 Allowed 'General case' 0 CA--C 1.513 -0.464 0 CA-C-O 121.64 0.733 . . . . 1.33 109.069 164.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.253 1.253 0 CA-C-O 116.081 -1.914 . . . . 1.75 107.818 177.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.82 ' HB3' HG23 ' A' ' 6' ' ' THR . 0.0 OUTLIER -148.93 111.6 4.78 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 108.123 -1.066 . . . . 1.42 108.123 171.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -94.2 72.44 3.93 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-O 121.95 0.881 . . . . 1.8 109.178 -177.358 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' DTR . . . . . 0.448 ' C ' ' H ' ' A' ' 6' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.72 19.58 0.08 Allowed 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.643 1.177 . . . . 0.93 113.233 -179.537 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.82 HG23 ' HB3' ' A' ' 2' ' ' CYS . 2.6 t -70.52 -31.37 68.43 Favored 'General case' 0 N--CA 1.444 -0.745 0 O-C-N 120.381 -1.45 . . . . 0.64 111.22 -175.353 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 26.1 p -147.72 39.5 0.96 Allowed 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 108.791 -0.818 . . . . 1.31 108.791 162.63 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.107 0 CA-C-O 116.787 -1.578 . . . . 1.8 107.952 178.573 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 20.0 m -146.33 79.96 1.55 Allowed 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 106.047 -1.835 . . . . 0.5 106.047 172.14 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -80.62 80.98 6.98 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 108.267 -1.012 . . . . 2.28 108.267 -177.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' DTR . . . . . 0.417 ' C ' ' H ' ' A' ' 6' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.98 5.55 1.12 Allowed 'General case' 0 C--O 1.223 -0.335 0 N-CA-C 113.485 0.92 . . . . 1.51 113.485 179.304 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.417 ' H ' ' C ' ' A' ' 4' ' ' DTR . 5.3 t -49.28 -33.29 12.64 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 125.853 1.661 . . . . 0.25 113.36 -173.268 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.5 p -143.38 26.14 1.65 Allowed 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 118.482 0.583 . . . . 0.47 110.574 169.343 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.248 1.004 0 CA-C-O 117.774 -1.108 . . . . 1.67 110.013 -169.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 15.3 m -138.92 83.47 1.96 Allowed 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 107.14 -1.429 . . . . 0.5 107.14 171.162 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -79.63 81.06 5.95 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 107.449 -1.315 . . . . 2.09 107.449 179.65 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' DTR . . . . . 0.433 ' C ' ' H ' ' A' ' 6' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.3 7.1 0.83 Allowed 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 113.094 0.776 . . . . 0.91 113.094 178.049 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.433 ' H ' ' C ' ' A' ' 4' ' ' DTR . 5.8 t -49.61 -31.71 11.3 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 125.61 1.564 . . . . 0.25 112.859 -175.034 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.6 p -144.94 27.61 1.3 Allowed 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 118.32 0.509 . . . . 0.5 110.388 167.71 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.063 0 CA-C-O 117.671 -1.157 . . . . 1.67 109.822 -170.434 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 63.8 m -145.63 82.22 1.63 Allowed 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 106.802 -1.555 . . . . 0.52 106.802 176.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -84.08 78.27 9.79 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 108.655 -0.868 . . . . 2.14 108.655 -174.215 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' DTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.24 1.04 6.59 Favored 'General case' 0 C--O 1.221 -0.403 0 N-CA-C 112.809 0.67 . . . . 2.52 112.809 -168.331 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 15.3 t -53.12 -29.93 33.8 Favored 'General case' 0 N--CA 1.443 -0.822 0 C-N-CA 126.552 1.941 . . . . 0.32 112.845 -170.64 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.7 p -147.24 29.33 0.97 Allowed 'General case' 0 N--CA 1.456 -0.128 0 CA-C-N 118.79 0.723 . . . . 0.48 110.01 163.692 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 C--O 1.251 1.179 0 CA-C-O 117.017 -1.468 . . . . 1.68 109.669 -172.993 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 86.0 m 112.63 73.32 0.0 OUTLIER 'General case' 0 CA--C 1.515 -0.376 0 C-N-CA 128.809 2.843 . . . . 0.61 106.511 166.672 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -84.21 61.46 6.55 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 122.463 1.125 . . . . 2.19 108.413 -179.756 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' DTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.86 18.42 0.18 Allowed 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 125.101 1.36 . . . . 1.05 113.576 -176.391 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.417 ' H ' HG22 ' A' ' 6' ' ' THR . 2.2 t -62.16 -37.03 83.65 Favored 'General case' 0 N--CA 1.448 -0.545 0 O-C-N 120.725 -1.234 . . . . 0.41 110.183 -175.2 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.3 p -139.0 22.8 2.61 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 110.034 -0.358 . . . . 0.47 110.034 172.261 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.252 1.222 0 CA-C-O 116.396 -1.764 . . . . 1.7 108.797 -169.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 76.2 m . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 105.876 -1.898 . . . . 0.54 105.876 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 69.7 t80 . . . . . 0 N--CA 1.452 -0.367 0 CA-C-O 121.899 0.857 . . . . 1.78 108.757 -172.97 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.224 -0.244 0 N-CA-C 113.21 0.818 . . . . 0.8 113.21 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 15.1 t -52.6 -29.56 26.51 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 127.513 2.325 . . . . 0.33 113.054 -172.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 10.3 p -145.07 27.14 1.3 Allowed 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 118.772 0.714 . . . . 0.55 110.187 164.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 C--O 1.247 0.941 0 CA-C-O 116.876 -1.535 . . . . 1.63 109.203 -169.253 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 34.9 m . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 108.399 -0.963 . . . . 0.58 108.399 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 42.2 t80 . . . . . 0 N--CA 1.455 -0.18 0 CA-C-O 122.063 0.935 . . . . 1.88 109.2 -176.17 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.222 -0.359 0 N-CA-C 113.718 1.007 . . . . 0.9 113.718 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.1 t -49.88 -37.39 30.97 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 125.113 1.365 . . . . 0.27 112.143 -175.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.9 p -141.73 30.92 1.66 Allowed 'General case' 0 N--CA 1.456 -0.132 0 O-C-N 121.929 -0.482 . . . . 0.46 110.39 167.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.247 0.954 0 CA-C-O 117.701 -1.142 . . . . 1.66 109.675 -173.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 23.6 m . . . . . 0 N--CA 1.451 -0.388 0 N-CA-C 107.702 -1.222 . . . . 0.66 107.702 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 87.1 t80 . . . . . 0 N--CA 1.455 -0.21 0 N-CA-C 108.504 -0.924 . . . . 2.81 108.504 -179.793 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.223 -0.323 0 N-CA-C 113.644 0.979 . . . . 0.88 113.644 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.1 t -56.81 -28.61 61.72 Favored 'General case' 0 N--CA 1.448 -0.568 0 O-C-N 120.467 -1.396 . . . . 0.31 112.031 -175.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 15.2 p -148.8 31.75 0.78 Allowed 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 121.224 0.535 . . . . 0.48 109.96 163.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.088 0 CA-C-O 116.189 -1.862 . . . . 1.68 109.363 -174.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 19.7 m . . . . . 0 N--CA 1.449 -0.478 0 N-CA-C 107.781 -1.192 . . . . 0.56 107.781 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.527 0.087 0 CA-C-O 121.886 0.851 . . . . 2.33 108.746 -173.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.34 0 N-CA-C 113.681 0.993 . . . . 0.88 113.681 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.42 HG22 ' H ' ' A' ' 6' ' ' THR . 1.6 t -61.07 -32.62 72.25 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 120.228 -1.545 . . . . 0.3 111.419 -172.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.0 p -144.41 27.52 1.39 Allowed 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 121.041 0.448 . . . . 0.46 109.992 167.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.252 1.23 0 CA-C-O 116.451 -1.738 . . . . 1.73 108.43 -172.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 79.0 m . . . . . 0 N--CA 1.45 -0.426 0 N-CA-C 106.431 -1.692 . . . . 0.56 106.431 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 24.8 t80 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 108.517 -0.919 . . . . 2.14 108.517 -174.727 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.223 -0.305 0 CA-C-O 121.838 0.828 . . . . 0.92 112.732 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.1 t -48.47 -36.26 14.7 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 126.263 1.825 . . . . 0.29 112.202 -173.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.4 p -141.15 24.58 2.13 Favored 'General case' 0 N--CA 1.455 -0.211 0 O-C-N 121.924 -0.485 . . . . 0.52 110.788 168.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 C--O 1.253 1.267 0 CA-C-O 116.972 -1.49 . . . . 1.72 109.826 -167.885 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 91.1 m . . . . . 0 N--CA 1.455 -0.211 0 N-CA-C 107.507 -1.294 . . . . 0.56 107.507 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 37.9 t80 . . . . . 0 N--CA 1.455 -0.219 0 CA-C-O 121.688 0.756 . . . . 1.83 109.005 -174.604 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.222 -0.367 0 N-CA-C 112.803 0.668 . . . . 0.84 112.803 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.4 t -45.43 -37.38 5.08 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 126.587 1.955 . . . . 0.4 112.528 -175.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.2 p -140.57 26.73 2.11 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 118.48 0.582 . . . . 0.63 110.844 168.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.251 1.184 0 CA-C-O 116.816 -1.564 . . . . 1.69 110.283 -170.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 68.2 m . . . . . 0 N--CA 1.454 -0.243 0 N-CA-C 107.264 -1.384 . . . . 0.52 107.264 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 38.8 t80 . . . . . 0 N--CA 1.454 -0.23 0 CA-C-O 121.68 0.752 . . . . 1.82 109.155 -174.785 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.223 -0.34 0 N-CA-C 112.792 0.664 . . . . 0.89 112.792 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.1 t -46.55 -37.08 7.5 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 126.525 1.93 . . . . 0.36 112.37 -174.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.0 p -141.39 28.23 1.85 Allowed 'General case' 0 C--N 1.34 0.176 0 O-C-N 121.844 -0.535 . . . . 0.56 110.508 167.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 117.622 -1.18 . . . . 1.68 110.054 -171.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 39.7 m . . . . . 0 C--O 1.226 -0.184 0 N-CA-C 106.523 -1.658 . . . . 0.53 106.523 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 12.0 t80 . . . . . 0 CA--C 1.53 0.196 0 N-CA-C 108.914 -0.773 . . . . 2.38 108.914 -174.61 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.223 -0.32 0 CA-C-O 121.404 0.621 . . . . 1.0 112.654 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.1 t -49.05 -35.36 15.58 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 125.674 1.59 . . . . 0.26 111.761 -176.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 12.9 p -142.85 29.45 1.51 Allowed 'General case' 0 N--CA 1.455 -0.191 0 O-C-N 121.872 -0.517 . . . . 0.46 110.505 165.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 117.636 -1.174 . . . . 1.65 109.909 -171.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 45.5 m . . . . . 0 N--CA 1.456 -0.166 0 N-CA-C 106.544 -1.65 . . . . 0.53 106.544 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 31.7 t80 . . . . . 0 N--CA 1.456 -0.165 0 CA-C-O 121.699 0.761 . . . . 1.98 109.377 -171.017 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.224 -0.274 0 CA-C-O 122.214 1.006 . . . . 0.96 112.632 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.2 t -53.37 -27.04 21.73 Favored 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 126.012 1.725 . . . . 0.35 112.987 -172.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 12.3 p -148.06 27.67 0.95 Allowed 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 118.621 0.646 . . . . 0.46 110.395 163.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.9 p . . . . . 0 C--O 1.25 1.115 0 CA-C-O 117.0 -1.476 . . . . 1.7 109.604 -169.246 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 34.2 m . . . . . 0 N--CA 1.456 -0.142 0 N-CA-C 106.617 -1.623 . . . . 0.54 106.617 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 4.9 t80 . . . . . 0 CA--C 1.531 0.218 0 N-CA-C 108.703 -0.851 . . . . 2.04 108.703 -174.16 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.224 -0.283 0 CA-C-O 122.168 0.985 . . . . 0.95 112.61 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.1 t -53.03 -28.11 22.82 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 126.102 1.761 . . . . 0.34 112.87 -173.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.4 p -148.49 28.98 0.87 Allowed 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 118.585 0.63 . . . . 0.45 110.17 163.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.6 p . . . . . 0 C--O 1.248 1.007 0 CA-C-O 117.228 -1.368 . . . . 1.67 109.483 -170.295 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 17.9 m . . . . . 0 N--CA 1.449 -0.482 0 N-CA-C 108.091 -1.077 . . . . 0.62 108.091 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.528 0.121 0 N-CA-C 108.284 -1.006 . . . . 2.4 108.284 -177.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.224 -0.24 0 CA-C-O 121.999 0.904 . . . . 0.89 112.443 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.0 t -54.51 -27.26 36.85 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 125.434 1.493 . . . . 0.26 112.578 -173.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.9 p -150.44 29.93 0.69 Allowed 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 118.19 0.45 . . . . 0.5 109.875 165.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.0 p . . . . . 0 C--O 1.25 1.109 0 CA-C-O 117.207 -1.378 . . . . 1.65 109.347 -170.914 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.54 ' SG ' HG23 ' A' ' 6' ' ' THR . 1.2 m . . . . . 0 CA--C 1.53 0.182 0 N-CA-C 107.46 -1.311 . . . . 0.93 107.46 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 63.1 t80 . . . . . 0 CA--C 1.528 0.131 0 CA-C-O 121.874 0.845 . . . . 2.07 109.268 -174.787 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.533 0.319 0 N-CA-C 113.429 0.9 . . . . 1.07 113.429 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.54 HG23 ' SG ' ' A' ' 2' ' ' CYS . 0.7 OUTLIER -62.1 -32.02 72.53 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 120.27 -1.519 . . . . 0.33 111.123 -173.177 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 22.3 p -146.61 30.16 1.01 Allowed 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.56 -0.533 . . . . 0.54 109.56 167.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.25 1.079 0 CA-C-O 117.289 -1.339 . . . . 1.61 108.253 -174.053 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 34.5 m . . . . . 0 N--CA 1.448 -0.557 0 N-CA-C 105.183 -2.154 . . . . 0.57 105.183 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.448 -0.564 0 N-CA-C 108.113 -1.069 . . . . 2.65 108.113 -176.116 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.537 0.465 0 N-CA-C 113.332 0.864 . . . . 1.62 113.332 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.3 t -52.54 -32.66 41.75 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 125.296 1.439 . . . . 0.35 113.131 -170.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.9 p -142.99 21.24 1.95 Allowed 'General case' 0 N--CA 1.457 -0.115 0 CA-C-N 118.228 0.467 . . . . 0.46 110.848 167.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.7 p . . . . . 0 C--O 1.25 1.105 0 CA-C-O 116.878 -1.535 . . . . 1.89 109.713 -167.258 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 56.2 m . . . . . 0 N--CA 1.444 -0.754 0 N-CA-C 107.133 -1.432 . . . . 0.65 107.133 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 68.4 t80 . . . . . 0 N--CA 1.452 -0.364 0 CA-C-O 121.886 0.85 . . . . 2.71 108.711 -176.894 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.223 -0.318 0 CA-C-O 121.774 0.797 . . . . 1.06 112.703 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.6 t -49.54 -39.4 34.49 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 126.547 1.939 . . . . 0.36 112.362 -172.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.7 p -145.3 31.09 1.11 Allowed 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 120.143 -0.623 . . . . 0.56 109.972 166.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.248 1.016 0 CA-C-O 117.746 -1.121 . . . . 1.67 109.317 -173.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 87.2 m . . . . . 0 N--CA 1.45 -0.461 0 N-CA-C 108.417 -0.957 . . . . 0.53 108.417 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 17.3 t80 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 108.819 -0.808 . . . . 2.08 108.819 -179.234 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.533 0.313 0 N-CA-C 113.691 0.997 . . . . 1.3 113.691 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.2 t -56.29 -38.06 70.72 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 125.093 1.357 . . . . 0.31 111.899 -173.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.9 p -142.91 26.99 1.67 Allowed 'General case' 0 CA--C 1.522 -0.127 0 O-C-N 121.696 -0.628 . . . . 0.55 110.536 167.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.098 0 CA-C-O 115.97 -1.967 . . . . 1.82 108.561 -172.192 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.799 ' HB3' HG23 ' A' ' 6' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.452 0 N-CA-C 108.789 -0.819 . . . . 1.29 108.789 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 47.6 t80 . . . . . 0 CA--C 1.53 0.179 0 CA-C-O 121.716 0.77 . . . . 2.08 109.071 177.205 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.467 0.404 0 CA-C-O 122.412 1.101 . . . . 1.02 113.358 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.799 HG23 ' HB3' ' A' ' 2' ' ' CYS . 0.1 OUTLIER -61.72 -41.13 97.22 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 125.54 1.536 . . . . 0.61 110.5 -176.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.1 p -144.63 42.95 1.37 Allowed 'General case' 0 CA--C 1.513 -0.464 0 CA-C-O 121.64 0.733 . . . . 1.33 109.069 164.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.253 1.253 0 CA-C-O 116.081 -1.914 . . . . 1.75 107.818 177.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.82 ' HB3' HG23 ' A' ' 6' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.435 0 N-CA-C 108.123 -1.066 . . . . 1.42 108.123 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 37.8 t80 . . . . . 0 CA--C 1.529 0.141 0 CA-C-O 121.95 0.881 . . . . 1.8 109.178 -177.358 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.468 0.461 0 CA-C-O 122.15 0.976 . . . . 0.93 113.233 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.82 HG23 ' HB3' ' A' ' 2' ' ' CYS . 2.6 t -70.52 -31.37 68.43 Favored 'General case' 0 N--CA 1.444 -0.745 0 O-C-N 120.381 -1.45 . . . . 0.64 111.22 -175.353 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 26.1 p -147.72 39.5 0.96 Allowed 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 108.791 -0.818 . . . . 1.31 108.791 162.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.107 0 CA-C-O 116.787 -1.578 . . . . 1.8 107.952 178.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 20.0 m . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 106.047 -1.835 . . . . 0.5 106.047 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 19.0 t80 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 108.267 -1.012 . . . . 2.28 108.267 -177.804 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.223 -0.335 0 N-CA-C 113.485 0.92 . . . . 1.51 113.485 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.3 t -49.28 -33.29 12.64 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 125.853 1.661 . . . . 0.25 113.36 -173.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.5 p -143.38 26.14 1.65 Allowed 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 118.482 0.583 . . . . 0.47 110.574 169.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.248 1.004 0 CA-C-O 117.774 -1.108 . . . . 1.67 110.013 -169.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 15.3 m . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 107.14 -1.429 . . . . 0.5 107.14 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 107.449 -1.315 . . . . 2.09 107.449 179.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.35 0 N-CA-C 113.094 0.776 . . . . 0.91 113.094 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.8 t -49.61 -31.71 11.3 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 125.61 1.564 . . . . 0.25 112.859 -175.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.6 p -144.94 27.61 1.3 Allowed 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 118.32 0.509 . . . . 0.5 110.388 167.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.063 0 CA-C-O 117.671 -1.157 . . . . 1.67 109.822 -170.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 63.8 m . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 106.802 -1.555 . . . . 0.52 106.802 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.529 0.153 0 N-CA-C 108.655 -0.868 . . . . 2.14 108.655 -174.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.403 0 N-CA-C 112.809 0.67 . . . . 2.52 112.809 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 15.3 t -53.12 -29.93 33.8 Favored 'General case' 0 N--CA 1.443 -0.822 0 C-N-CA 126.552 1.941 . . . . 0.32 112.845 -170.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.7 p -147.24 29.33 0.97 Allowed 'General case' 0 N--CA 1.456 -0.128 0 CA-C-N 118.79 0.723 . . . . 0.48 110.01 163.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 C--O 1.251 1.179 0 CA-C-O 117.017 -1.468 . . . . 1.68 109.669 -172.993 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 86.0 m . . . . . 0 CA--C 1.515 -0.376 0 N-CA-C 106.511 -1.662 . . . . 0.61 106.511 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 57.7 t80 . . . . . 0 N--CA 1.451 -0.397 0 CA-C-O 122.463 1.125 . . . . 2.19 108.413 -179.756 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.304 0 CA-C-O 122.121 0.962 . . . . 1.05 113.576 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.417 ' H ' HG22 ' A' ' 6' ' ' THR . 2.2 t -62.16 -37.03 83.65 Favored 'General case' 0 N--CA 1.448 -0.545 0 O-C-N 120.725 -1.234 . . . . 0.41 110.183 -175.2 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.3 p -139.0 22.8 2.61 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 110.034 -0.358 . . . . 0.47 110.034 172.261 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.252 1.222 0 CA-C-O 116.396 -1.764 . . . . 1.7 108.797 -169.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 76.2 m -142.75 82.05 1.75 Allowed 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 105.876 -1.898 . . . . 0.54 105.876 175.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -87.37 74.17 9.47 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 121.899 0.857 . . . . 1.78 108.757 -172.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' DTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.77 1.84 6.3 Favored 'General case' 0 C--O 1.224 -0.244 0 N-CA-C 113.21 0.818 . . . . 0.8 113.21 -168.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 15.1 t -52.6 -29.56 26.51 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 127.513 2.325 . . . . 0.33 113.054 -172.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 10.3 p -145.07 27.14 1.3 Allowed 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 118.772 0.714 . . . . 0.55 110.187 164.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 C--O 1.247 0.941 0 CA-C-O 116.876 -1.535 . . . . 1.63 109.203 -169.253 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 34.9 m -141.79 94.16 2.64 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 119.493 1.042 . . . . 0.58 108.399 -177.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -89.15 69.09 8.29 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-O 122.063 0.935 . . . . 1.88 109.2 -176.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' DTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.02 7.43 1.64 Allowed 'General case' 0 C--O 1.222 -0.359 0 C-N-CA 124.304 1.042 . . . . 0.9 113.718 -177.008 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.1 t -49.88 -37.39 30.97 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 125.113 1.365 . . . . 0.27 112.143 -175.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.9 p -141.73 30.92 1.66 Allowed 'General case' 0 N--CA 1.456 -0.132 0 O-C-N 121.929 -0.482 . . . . 0.46 110.39 167.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.247 0.954 0 CA-C-O 117.701 -1.142 . . . . 1.66 109.675 -173.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 23.6 m -143.62 92.17 2.32 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 119.921 1.237 . . . . 0.66 107.702 -174.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -84.24 75.76 10.17 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 108.504 -0.924 . . . . 2.81 108.504 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' DTR . . . . . 0.402 ' C ' ' H ' ' A' ' 6' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.45 9.54 0.6 Allowed 'General case' 0 C--O 1.223 -0.323 0 C-N-CA 124.765 1.226 . . . . 0.88 113.644 -178.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.402 ' H ' ' C ' ' A' ' 4' ' ' DTR . 7.1 t -56.81 -28.61 61.72 Favored 'General case' 0 N--CA 1.448 -0.568 0 O-C-N 120.467 -1.396 . . . . 0.31 112.031 -175.022 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 15.2 p -148.8 31.75 0.78 Allowed 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 121.224 0.535 . . . . 0.48 109.96 163.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.088 0 CA-C-O 116.189 -1.862 . . . . 1.68 109.363 -174.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 19.7 m -146.95 88.54 1.75 Allowed 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 119.989 1.268 . . . . 0.56 107.781 -170.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -86.81 69.43 10.3 Favored 'General case' 0 CA--C 1.527 0.087 0 CA-C-O 121.886 0.851 . . . . 2.33 108.746 -173.561 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' DTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.67 16.08 0.55 Allowed 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 113.681 0.993 . . . . 0.88 113.681 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.42 HG22 ' H ' ' A' ' 6' ' ' THR . 1.6 t -61.07 -32.62 72.25 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 120.228 -1.545 . . . . 0.3 111.419 -172.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.0 p -144.41 27.52 1.39 Allowed 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 121.041 0.448 . . . . 0.46 109.992 167.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.252 1.23 0 CA-C-O 116.451 -1.738 . . . . 1.73 108.43 -172.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 79.0 m -146.15 79.71 1.55 Allowed 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 106.431 -1.692 . . . . 0.56 106.431 -177.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -82.27 77.57 9.05 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 108.517 -0.919 . . . . 2.14 108.517 -174.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' DTR . . . . . 0.421 ' CZ3' ' HE2' ' A' ' 5' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.421 ' HE2' ' CZ3' ' A' ' 4' ' ' DTR . 0.0 OUTLIER -73.6 3.49 6.22 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-O 121.838 0.828 . . . . 0.92 112.732 -172.386 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.1 t -48.47 -36.26 14.7 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 126.263 1.825 . . . . 0.29 112.202 -173.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.4 p -141.15 24.58 2.13 Favored 'General case' 0 N--CA 1.455 -0.211 0 O-C-N 121.924 -0.485 . . . . 0.52 110.788 168.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 C--O 1.253 1.267 0 CA-C-O 116.972 -1.49 . . . . 1.72 109.826 -167.885 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 91.1 m -134.26 84.64 2.13 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 120.122 1.328 . . . . 0.56 107.507 174.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -88.09 70.08 9.31 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 121.688 0.756 . . . . 1.83 109.005 -174.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' DTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.73 3.36 6.58 Favored 'General case' 0 C--O 1.222 -0.367 0 N-CA-C 112.803 0.668 . . . . 0.84 112.803 -171.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.4 t -45.43 -37.38 5.08 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 126.587 1.955 . . . . 0.4 112.528 -175.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.2 p -140.57 26.73 2.11 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 118.48 0.582 . . . . 0.63 110.844 168.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.251 1.184 0 CA-C-O 116.816 -1.564 . . . . 1.69 110.283 -170.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 68.2 m -140.42 82.91 1.88 Allowed 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 107.264 -1.384 . . . . 0.52 107.264 178.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -87.39 72.55 9.74 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 121.68 0.752 . . . . 1.82 109.155 -174.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' DTR . . . . . 0.404 ' CZ3' ' HE2' ' A' ' 5' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.404 ' HE2' ' CZ3' ' A' ' 4' ' ' DTR . 0.0 OUTLIER -73.42 3.31 6.16 Favored 'General case' 0 C--O 1.223 -0.34 0 N-CA-C 112.792 0.664 . . . . 0.89 112.792 -171.598 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.1 t -46.55 -37.08 7.5 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 126.525 1.93 . . . . 0.36 112.37 -174.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.0 p -141.39 28.23 1.85 Allowed 'General case' 0 C--N 1.34 0.176 0 O-C-N 121.844 -0.535 . . . . 0.56 110.508 167.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 117.622 -1.18 . . . . 1.68 110.054 -171.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 39.7 m -148.84 86.0 1.5 Allowed 'General case' 0 C--O 1.226 -0.184 0 N-CA-C 106.523 -1.658 . . . . 0.53 106.523 173.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -85.52 77.2 9.92 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 108.914 -0.773 . . . . 2.38 108.914 -174.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' DTR . . . . . 0.418 ' CZ3' ' HE2' ' A' ' 5' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.418 ' HE2' ' CZ3' ' A' ' 4' ' ' DTR . 0.0 OUTLIER -73.94 5.9 3.8 Favored 'General case' 0 C--O 1.223 -0.32 0 O-C-N 121.695 -0.628 . . . . 1.0 112.654 -170.618 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.1 t -49.05 -35.36 15.58 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 125.674 1.59 . . . . 0.26 111.761 -176.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 12.9 p -142.85 29.45 1.51 Allowed 'General case' 0 N--CA 1.455 -0.191 0 O-C-N 121.872 -0.517 . . . . 0.46 110.505 165.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 117.636 -1.174 . . . . 1.65 109.909 -171.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 45.5 m -150.05 86.07 1.42 Allowed 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 106.544 -1.65 . . . . 0.53 106.544 178.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -89.08 71.19 8.44 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-O 121.699 0.761 . . . . 1.98 109.377 -171.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' DTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.51 3.92 5.53 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-O 122.214 1.006 . . . . 0.96 112.632 -173.095 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.2 t -53.37 -27.04 21.73 Favored 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 126.012 1.725 . . . . 0.35 112.987 -172.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 12.3 p -148.06 27.67 0.95 Allowed 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 118.621 0.646 . . . . 0.46 110.395 163.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.9 p . . . . . 0 C--O 1.25 1.115 0 CA-C-O 117.0 -1.476 . . . . 1.7 109.604 -169.246 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 34.2 m -150.42 84.25 1.37 Allowed 'General case' 0 N--CA 1.456 -0.142 0 N-CA-C 106.617 -1.623 . . . . 0.54 106.617 178.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -84.06 76.7 10.04 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 108.703 -0.851 . . . . 2.04 108.703 -174.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' DTR . . . . . 0.405 ' C ' ' H ' ' A' ' 6' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.92 4.62 3.99 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-O 122.168 0.985 . . . . 0.95 112.61 -172.446 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.405 ' H ' ' C ' ' A' ' 4' ' ' DTR . 12.1 t -53.03 -28.11 22.82 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 126.102 1.761 . . . . 0.34 112.87 -173.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.4 p -148.49 28.98 0.87 Allowed 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 118.585 0.63 . . . . 0.45 110.17 163.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.6 p . . . . . 0 C--O 1.248 1.007 0 CA-C-O 117.228 -1.368 . . . . 1.67 109.483 -170.295 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 17.9 m -132.42 88.51 2.54 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 108.091 -1.077 . . . . 0.62 108.091 173.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -85.32 71.47 10.83 Favored 'General case' 0 CA--C 1.528 0.121 0 N-CA-C 108.284 -1.006 . . . . 2.4 108.284 -177.327 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' DTR . . . . . 0.411 ' C ' ' H ' ' A' ' 6' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.88 5.39 3.29 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-O 121.999 0.904 . . . . 0.89 112.443 -172.178 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.411 ' H ' ' C ' ' A' ' 4' ' ' DTR . 8.0 t -54.51 -27.26 36.85 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 125.434 1.493 . . . . 0.26 112.578 -173.482 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.9 p -150.44 29.93 0.69 Allowed 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 118.19 0.45 . . . . 0.5 109.875 165.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.0 p . . . . . 0 C--O 1.25 1.109 0 CA-C-O 117.207 -1.378 . . . . 1.65 109.347 -170.914 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.54 ' SG ' HG23 ' A' ' 6' ' ' THR . 1.2 m 178.24 88.48 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 126.063 1.745 . . . . 0.93 107.46 157.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -88.36 70.33 9.08 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-O 121.874 0.845 . . . . 2.07 109.268 -174.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' DTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.01 17.78 0.16 Allowed 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.394 1.078 . . . . 1.07 113.429 178.496 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.54 HG23 ' SG ' ' A' ' 2' ' ' CYS . 0.7 OUTLIER -62.1 -32.02 72.53 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 120.27 -1.519 . . . . 0.33 111.123 -173.177 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 22.3 p -146.61 30.16 1.01 Allowed 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.56 -0.533 . . . . 0.54 109.56 167.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.25 1.079 0 CA-C-O 117.289 -1.339 . . . . 1.61 108.253 -174.053 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 34.5 m -147.82 78.12 1.44 Allowed 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 105.183 -2.154 . . . . 0.57 105.183 -177.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -74.69 93.39 2.55 Favored 'General case' 0 N--CA 1.448 -0.564 0 N-CA-C 108.113 -1.069 . . . . 2.65 108.113 -176.116 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' DTR . . . . . 0.407 ' C ' ' H ' ' A' ' 6' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.9 7.02 1.27 Allowed 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 113.332 0.864 . . . . 1.62 113.332 176.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.407 ' H ' ' C ' ' A' ' 4' ' ' DTR . 3.3 t -52.54 -32.66 41.75 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 125.296 1.439 . . . . 0.35 113.131 -170.556 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.9 p -142.99 21.24 1.95 Allowed 'General case' 0 N--CA 1.457 -0.115 0 CA-C-N 118.228 0.467 . . . . 0.46 110.848 167.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.7 p . . . . . 0 C--O 1.25 1.105 0 CA-C-O 116.878 -1.535 . . . . 1.89 109.713 -167.258 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 56.2 m -133.4 78.15 1.76 Allowed 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 107.133 -1.432 . . . . 0.65 107.133 177.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -86.76 74.12 9.87 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 121.886 0.85 . . . . 2.71 108.711 -176.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' DTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.57 -0.65 11.14 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-O 121.774 0.797 . . . . 1.06 112.703 -171.142 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.6 t -49.54 -39.4 34.49 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 126.547 1.939 . . . . 0.36 112.362 -172.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.7 p -145.3 31.09 1.11 Allowed 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 120.143 -0.623 . . . . 0.56 109.972 166.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.248 1.016 0 CA-C-O 117.746 -1.121 . . . . 1.67 109.317 -173.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 87.2 m -134.14 81.71 1.93 Allowed 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 120.268 1.395 . . . . 0.53 108.417 -175.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -84.48 71.18 10.75 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 108.819 -0.808 . . . . 2.08 108.819 -179.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' DTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.87 7.07 4.26 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 113.691 0.997 . . . . 1.3 113.691 -177.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.2 t -56.29 -38.06 70.72 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 125.093 1.357 . . . . 0.31 111.899 -173.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.9 p -142.91 26.99 1.67 Allowed 'General case' 0 CA--C 1.522 -0.127 0 O-C-N 121.696 -0.628 . . . . 0.55 110.536 167.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.098 0 CA-C-O 115.97 -1.967 . . . . 1.82 108.561 -172.192 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.799 ' HB3' HG23 ' A' ' 6' ' ' THR . 0.0 OUTLIER -114.01 101.99 9.75 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 120.368 1.44 . . . . 1.29 108.789 179.914 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -83.59 73.71 10.2 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 121.716 0.77 . . . . 2.08 109.071 177.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' DTR . . . . . 0.44 ' C ' ' H ' ' A' ' 6' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.79 16.09 0.24 Allowed 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 122.412 1.101 . . . . 1.02 113.358 179.4 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.799 HG23 ' HB3' ' A' ' 2' ' ' CYS . 0.1 OUTLIER -61.72 -41.13 97.22 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 125.54 1.536 . . . . 0.61 110.5 -176.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.1 p -144.63 42.95 1.37 Allowed 'General case' 0 CA--C 1.513 -0.464 0 CA-C-O 121.64 0.733 . . . . 1.33 109.069 164.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.253 1.253 0 CA-C-O 116.081 -1.914 . . . . 1.75 107.818 177.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.82 ' HB3' HG23 ' A' ' 6' ' ' THR . 0.0 OUTLIER -148.93 111.6 4.78 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 108.123 -1.066 . . . . 1.42 108.123 171.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -94.2 72.44 3.93 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-O 121.95 0.881 . . . . 1.8 109.178 -177.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' DTR . . . . . 0.448 ' C ' ' H ' ' A' ' 6' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.72 19.58 0.08 Allowed 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.643 1.177 . . . . 0.93 113.233 -179.537 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.82 HG23 ' HB3' ' A' ' 2' ' ' CYS . 2.6 t -70.52 -31.37 68.43 Favored 'General case' 0 N--CA 1.444 -0.745 0 O-C-N 120.381 -1.45 . . . . 0.64 111.22 -175.353 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 26.1 p -147.72 39.5 0.96 Allowed 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 108.791 -0.818 . . . . 1.31 108.791 162.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.107 0 CA-C-O 116.787 -1.578 . . . . 1.8 107.952 178.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 20.0 m -146.33 79.96 1.55 Allowed 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 106.047 -1.835 . . . . 0.5 106.047 172.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -80.62 80.98 6.98 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 108.267 -1.012 . . . . 2.28 108.267 -177.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' DTR . . . . . 0.417 ' C ' ' H ' ' A' ' 6' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.98 5.55 1.12 Allowed 'General case' 0 C--O 1.223 -0.335 0 N-CA-C 113.485 0.92 . . . . 1.51 113.485 179.304 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.417 ' H ' ' C ' ' A' ' 4' ' ' DTR . 5.3 t -49.28 -33.29 12.64 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 125.853 1.661 . . . . 0.25 113.36 -173.268 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.5 p -143.38 26.14 1.65 Allowed 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 118.482 0.583 . . . . 0.47 110.574 169.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.248 1.004 0 CA-C-O 117.774 -1.108 . . . . 1.67 110.013 -169.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 15.3 m -138.92 83.47 1.96 Allowed 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 107.14 -1.429 . . . . 0.5 107.14 171.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -79.63 81.06 5.95 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 107.449 -1.315 . . . . 2.09 107.449 179.65 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' DTR . . . . . 0.433 ' C ' ' H ' ' A' ' 6' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.3 7.1 0.83 Allowed 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 113.094 0.776 . . . . 0.91 113.094 178.049 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.433 ' H ' ' C ' ' A' ' 4' ' ' DTR . 5.8 t -49.61 -31.71 11.3 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 125.61 1.564 . . . . 0.25 112.859 -175.034 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.6 p -144.94 27.61 1.3 Allowed 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 118.32 0.509 . . . . 0.5 110.388 167.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.063 0 CA-C-O 117.671 -1.157 . . . . 1.67 109.822 -170.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 63.8 m -145.63 82.22 1.63 Allowed 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 106.802 -1.555 . . . . 0.52 106.802 176.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -84.08 78.27 9.79 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 108.655 -0.868 . . . . 2.14 108.655 -174.215 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' DTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.24 1.04 6.59 Favored 'General case' 0 C--O 1.221 -0.403 0 N-CA-C 112.809 0.67 . . . . 2.52 112.809 -168.331 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 15.3 t -53.12 -29.93 33.8 Favored 'General case' 0 N--CA 1.443 -0.822 0 C-N-CA 126.552 1.941 . . . . 0.32 112.845 -170.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.7 p -147.24 29.33 0.97 Allowed 'General case' 0 N--CA 1.456 -0.128 0 CA-C-N 118.79 0.723 . . . . 0.48 110.01 163.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 C--O 1.251 1.179 0 CA-C-O 117.017 -1.468 . . . . 1.68 109.669 -172.993 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' DPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 86.0 m 112.63 73.32 0.0 OUTLIER 'General case' 0 CA--C 1.515 -0.376 0 C-N-CA 128.809 2.843 . . . . 0.61 106.511 166.672 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -84.21 61.46 6.55 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 122.463 1.125 . . . . 2.19 108.413 -179.756 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' DTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.86 18.42 0.18 Allowed 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 125.101 1.36 . . . . 1.05 113.576 -176.391 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.417 ' H ' HG22 ' A' ' 6' ' ' THR . 2.2 t -62.16 -37.03 83.65 Favored 'General case' 0 N--CA 1.448 -0.545 0 O-C-N 120.725 -1.234 . . . . 0.41 110.183 -175.2 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.3 p -139.0 22.8 2.61 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 110.034 -0.358 . . . . 0.47 110.034 172.261 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.252 1.222 0 CA-C-O 116.396 -1.764 . . . . 1.7 108.797 -169.005 . . . . . . . . 1 1 . 1 stop_ save_