data_6pqf_residue ############################ # Computer software used # ############################ 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 6pqf _Structure_validation_residue.Date_analyzed 2019-10-18 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 ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.908 0.385 . . . . 74.24 111.069 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 72.1 mttt . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 121.416 0.626 . . . . 74.22 110.902 179.977 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 1.408 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 35.0 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.812 0.339 . . . . 55.41 110.89 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.81 -36.18 1.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 63.55 111.09 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -170.46 -40.79 0.02 OUTLIER 'General case' 0 CA--C 1.594 2.639 0 N-CA-C 107.557 -1.275 . . . . 72.22 107.557 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.0 t -70.58 -71.56 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 74.22 110.807 -178.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.4 m -78.0 150.52 33.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 63.42 110.872 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -102.36 81.61 2.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 70.22 111.131 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 1.408 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.594 2.672 0 N-CA-C 107.564 -1.273 . . . . 75.21 107.564 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.876 0.37 . . . . 73.54 111.113 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.4 tttm . . . . . 0 C--N 1.33 -0.281 0 CA-C-O 121.426 0.631 . . . . 73.21 110.868 179.972 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 1.391 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 34.6 t . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.811 0.338 . . . . 74.2 110.868 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.48 -36.27 1.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 63.31 111.1 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -171.42 -40.53 0.02 OUTLIER 'General case' 0 CA--C 1.593 2.62 0 N-CA-C 107.58 -1.267 . . . . 72.51 107.58 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.6 m -70.03 -70.2 0.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 71.4 110.88 -178.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 9.2 m -79.21 154.58 29.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 74.01 110.881 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -105.56 82.0 1.75 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 74.52 111.139 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 1.391 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.593 2.618 0 N-CA-C 107.536 -1.283 . . . . 63.42 107.536 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.878 0.371 . . . . 70.31 111.048 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 121.452 0.644 . . . . 74.32 110.885 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 1.4 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 7.6 m . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.844 0.354 . . . . 73.01 110.884 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -127.92 -35.69 2.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 52.02 111.119 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -168.85 -41.2 0.02 OUTLIER 'General case' 0 CA--C 1.594 2.647 0 N-CA-C 107.556 -1.275 . . . . 71.12 107.556 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 48.1 t -71.76 -73.64 0.18 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 65.34 110.877 -178.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.3 m -75.35 156.27 35.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 63.11 110.904 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -112.12 83.14 1.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 71.43 111.094 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 1.4 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.594 2.646 0 N-CA-C 107.613 -1.255 . . . . 64.32 107.613 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.853 0.358 . . . . 74.42 111.083 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.1 mmtt . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 121.407 0.623 . . . . 73.01 110.912 179.927 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 1.408 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 10.0 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.826 0.346 . . . . 74.51 110.909 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -129.89 -35.92 1.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 73.34 111.05 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -166.91 -42.47 0.02 OUTLIER 'General case' 0 CA--C 1.593 2.621 0 N-CA-C 107.524 -1.287 . . . . 63.42 107.524 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.1 t -71.26 -74.24 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 65.23 110.83 -178.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.6 m -75.89 153.81 36.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 70.11 110.885 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -110.22 82.96 1.68 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 73.4 111.116 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 1.408 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.593 2.626 0 N-CA-C 107.562 -1.273 . . . . 70.33 107.562 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.868 0.366 . . . . 62.21 111.117 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.7 mtmt . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.383 0.611 . . . . 74.15 110.883 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 1.388 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 6.6 m . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.82 0.343 . . . . 63.11 110.85 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -131.29 -35.69 1.33 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 70.04 111.1 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -165.18 -46.83 0.03 OUTLIER 'General case' 0 CA--C 1.594 2.641 0 N-CA-C 107.537 -1.282 . . . . 74.11 107.537 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.1 t -67.9 -73.07 0.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 75.42 110.896 -178.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.8 m -78.11 155.96 30.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.073 -0.512 . . . . 73.1 110.918 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.69 83.64 1.89 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 71.24 111.096 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 1.388 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.593 2.619 0 N-CA-C 107.562 -1.273 . . . . 54.34 107.562 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.845 0.355 . . . . 65.33 111.132 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.4 ttmm . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 121.404 0.621 . . . . 74.34 110.915 179.962 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 1.394 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 6.4 m . . . . . 0 CA--C 1.527 0.08 0 CA-C-O 120.83 0.348 . . . . 75.03 110.821 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.11 -35.95 1.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 53.41 111.102 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -170.09 -49.2 0.02 OUTLIER 'General case' 0 CA--C 1.593 2.631 0 N-CA-C 107.555 -1.276 . . . . 61.15 107.555 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 60.4 p -62.8 -65.98 0.61 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 74.31 110.85 -178.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.3 m -85.04 159.82 20.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 75.02 110.86 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -116.78 83.74 2.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 65.44 111.116 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 1.394 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.593 2.633 0 N-CA-C 107.607 -1.257 . . . . 54.04 107.607 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.805 0.336 . . . . 74.54 111.115 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.8 ttpt . . . . . 0 C--N 1.328 -0.336 0 CA-C-O 121.454 0.645 . . . . 74.14 110.877 179.959 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 1.401 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 7.8 m . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.806 0.336 . . . . 75.41 110.865 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.46 -35.39 1.96 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 70.02 111.108 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -169.03 -40.79 0.02 OUTLIER 'General case' 0 CA--C 1.594 2.637 0 N-CA-C 107.507 -1.294 . . . . 74.23 107.507 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.2 t -71.98 -74.27 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 55.2 110.875 -178.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.9 m -74.55 159.72 31.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 75.45 110.9 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -114.87 83.19 1.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 73.12 111.074 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 1.401 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.593 2.628 0 N-CA-C 107.582 -1.266 . . . . 71.42 107.582 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.856 0.36 . . . . 73.02 111.095 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.5 pttm . . . . . 0 C--N 1.329 -0.326 0 CA-C-O 121.401 0.619 . . . . 75.3 110.884 179.974 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 1.388 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 5.1 m . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.91 0.386 . . . . 74.22 110.904 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.79 -35.68 1.87 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 65.53 111.094 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -168.09 -41.37 0.02 OUTLIER 'General case' 0 CA--C 1.594 2.636 0 N-CA-C 107.583 -1.266 . . . . 70.55 107.583 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 43.3 t -71.51 -74.31 0.16 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 75.33 110.883 -178.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.4 m -75.11 162.52 28.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.121 -0.49 . . . . 70.42 110.884 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -117.86 83.98 2.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 72.14 111.104 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 1.388 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.593 2.631 0 N-CA-C 107.565 -1.272 . . . . 71.55 107.565 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.828 0.346 . . . . 71.11 111.1 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 121.422 0.63 . . . . 75.02 110.918 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 1.385 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 34.4 t . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.847 0.356 . . . . 64.13 110.866 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.22 -36.33 1.94 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 74.21 111.146 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -171.01 -40.7 0.02 OUTLIER 'General case' 0 CA--C 1.593 2.619 0 N-CA-C 107.558 -1.275 . . . . 73.02 107.558 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.6 m -70.17 -70.72 0.28 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 75.12 110.831 -178.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.5 m -78.72 152.43 31.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 62.13 110.889 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -103.87 81.87 1.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 74.43 111.081 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 1.385 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.593 2.629 0 N-CA-C 107.551 -1.277 . . . . 75.21 107.551 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.849 0.356 . . . . 74.41 111.121 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 121.384 0.612 . . . . 71.44 110.886 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 1.391 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 37.4 t . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.84 0.352 . . . . 72.42 110.845 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -176.81 -37.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 60.12 111.08 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -163.14 -64.01 0.04 OUTLIER 'General case' 0 CA--C 1.594 2.642 0 N-CA-C 107.545 -1.279 . . . . 74.43 107.545 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 55.1 p -54.97 -64.77 0.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 74.23 110.842 -178.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.9 m -87.5 150.2 23.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 73.34 110.902 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -105.24 82.75 1.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 73.22 111.099 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 1.391 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.594 2.649 0 N-CA-C 107.569 -1.271 . . . . 65.31 107.569 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.797 0.332 . . . . 63.13 111.112 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 44.8 pttt . . . . . 0 C--N 1.328 -0.346 0 CA-C-O 121.403 0.62 . . . . 63.25 110.883 179.974 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 1.399 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 5.5 m . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.822 0.344 . . . . 71.34 110.852 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -129.79 -35.63 1.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 74.33 111.066 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -167.35 -41.64 0.02 OUTLIER 'General case' 0 CA--C 1.593 2.617 0 N-CA-C 107.523 -1.288 . . . . 71.25 107.523 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.2 m -71.96 -74.76 0.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 75.24 110.85 -178.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.3 m -74.59 160.85 30.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 63.14 110.919 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -116.61 83.85 2.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 72.0 111.071 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 1.399 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.594 2.635 0 N-CA-C 107.553 -1.277 . . . . 51.01 107.553 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.89 0.376 . . . . 74.1 111.077 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.2 mtmt . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 121.357 0.599 . . . . 74.1 110.874 -179.99 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 1.404 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 5.3 m . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.802 0.334 . . . . 73.22 110.87 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -129.86 -35.81 1.63 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 71.42 111.094 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -165.81 -49.45 0.03 OUTLIER 'General case' 0 CA--C 1.594 2.641 0 N-CA-C 107.581 -1.266 . . . . 73.43 107.581 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 43.3 p -65.17 -70.7 0.22 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 70.44 110.849 -178.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.0 m -80.72 155.43 26.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.483 . . . . 74.21 110.903 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -114.05 84.17 1.99 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 74.32 111.131 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 1.404 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.594 2.648 0 N-CA-C 107.58 -1.267 . . . . 73.31 107.58 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.845 0.355 . . . . 64.13 111.103 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.0 mtpt . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 121.394 0.616 . . . . 72.44 110.91 179.967 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 1.414 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 34.9 t . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.815 0.34 . . . . 75.31 110.883 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -133.68 -35.66 0.98 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 53.33 111.088 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -169.85 -55.21 0.02 OUTLIER 'General case' 0 CA--C 1.594 2.653 0 N-CA-C 107.543 -1.28 . . . . 62.02 107.543 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.6 t -54.76 -59.66 4.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 74.22 110.841 -178.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.6 m -96.18 158.45 15.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 73.24 110.837 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -110.99 83.28 1.73 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 72.23 111.105 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 1.414 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.593 2.634 0 N-CA-C 107.561 -1.274 . . . . 74.02 107.561 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.856 0.36 . . . . 72.25 111.138 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 121.402 0.62 . . . . 75.2 110.859 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 1.41 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 10.7 m . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.812 0.339 . . . . 71.41 110.869 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -130.13 -35.79 1.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 75.23 111.052 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -166.57 -43.01 0.02 OUTLIER 'General case' 0 CA--C 1.594 2.637 0 N-CA-C 107.555 -1.276 . . . . 71.31 107.555 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.8 m -70.92 -74.35 0.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 71.22 110.85 -178.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.8 m -75.69 153.85 36.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 75.35 110.876 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -110.4 82.86 1.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 73.43 111.113 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 1.41 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.593 2.628 0 N-CA-C 107.584 -1.265 . . . . 54.34 107.584 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.846 0.355 . . . . 74.43 111.112 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 121.383 0.611 . . . . 73.51 110.883 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 1.413 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 6.8 m . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.814 0.34 . . . . 73.25 110.922 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -127.83 -36.19 2.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 62.34 111.108 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -168.27 -44.75 0.02 OUTLIER 'General case' 0 CA--C 1.594 2.636 0 N-CA-C 107.546 -1.279 . . . . 74.21 107.546 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.7 p -68.76 -71.26 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 75.22 110.836 -178.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.9 m -77.97 153.13 32.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 70.31 110.861 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -110.7 82.96 1.68 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 72.1 111.091 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 1.413 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.593 2.632 0 N-CA-C 107.592 -1.262 . . . . 61.2 107.592 179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.817 0.341 . . . . 72.3 111.116 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 121.411 0.624 . . . . 74.13 110.906 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 1.387 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 5.5 m . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.84 0.352 . . . . 75.43 110.91 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -130.82 -35.74 1.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 71.13 111.116 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -164.46 -52.26 0.03 OUTLIER 'General case' 0 CA--C 1.594 2.644 0 N-CA-C 107.603 -1.258 . . . . 72.51 107.603 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.2 p -63.26 -69.7 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 73.3 110.851 -178.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.7 m -82.75 152.35 25.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.117 -0.492 . . . . 73.3 110.848 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -112.25 84.0 1.89 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 64.23 111.07 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 1.387 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.593 2.625 0 N-CA-C 107.542 -1.281 . . . . 60.25 107.542 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.86 0.362 . . . . 65.54 111.065 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.0 mttp . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 121.396 0.617 . . . . 73.33 110.856 179.964 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 1.4 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 8.7 t . . . . . 0 N--CA 1.458 -0.052 0 CA-C-O 120.831 0.348 . . . . 74.14 110.853 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -127.23 -35.67 2.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 63.15 111.107 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -173.1 -42.19 0.01 OUTLIER 'General case' 0 CA--C 1.594 2.64 0 N-CA-C 107.564 -1.272 . . . . 74.33 107.564 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.7 t -66.41 -68.3 0.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 72.11 110.85 -178.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 11.8 m -82.23 120.43 25.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 61.14 110.891 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.8 77.48 1.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 75.2 111.104 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 1.4 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.593 2.619 0 N-CA-C 107.545 -1.28 . . . . 64.0 107.545 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.907 0.384 . . . . 73.53 111.083 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 121.353 0.597 . . . . 62.32 110.919 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 1.401 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 88.3 m . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.872 0.368 . . . . 74.11 110.932 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -46.67 -41.36 14.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 74.24 111.126 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -175.68 -51.36 0.01 OUTLIER 'General case' 0 CA--C 1.594 2.637 0 N-CA-C 107.551 -1.278 . . . . 75.21 107.551 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.2 t -48.84 -75.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 73.53 110.887 -178.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.6 m -68.73 128.46 36.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 74.53 110.948 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.5 73.17 3.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 64.14 111.14 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 1.401 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.593 2.61 0 N-CA-C 107.54 -1.282 . . . . 73.53 107.54 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.854 0.359 . . . . 74.02 111.091 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 121.362 0.601 . . . . 73.42 110.888 179.947 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 1.402 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 3.2 t . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.835 0.35 . . . . 73.23 110.884 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -127.56 -35.79 2.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 75.21 111.122 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -170.45 -40.52 0.02 OUTLIER 'General case' 0 CA--C 1.593 2.613 0 N-CA-C 107.59 -1.263 . . . . 73.01 107.59 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.8 m -71.21 -72.32 0.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 71.02 110.858 -178.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.5 m -76.59 161.72 28.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 72.2 110.903 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -99.93 4.65 45.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 74.11 111.106 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 1.402 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.593 2.627 0 N-CA-C 107.604 -1.258 . . . . 72.44 107.604 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.909 0.385 . . . . 74.44 111.099 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.0 mmmt . . . . . 0 C--N 1.33 -0.272 0 CA-C-O 121.397 0.618 . . . . 75.44 110.881 179.994 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 1.393 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 81.3 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.889 0.376 . . . . 61.35 110.882 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -129.09 -36.26 1.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 63.22 111.103 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -174.56 -44.3 0.01 OUTLIER 'General case' 0 CA--C 1.594 2.647 0 N-CA-C 107.594 -1.262 . . . . 74.5 107.594 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.3 t -63.69 -61.93 1.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 74.51 110.895 -178.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 9.6 m -89.28 134.22 34.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.493 . . . . 72.03 110.837 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.22 -61.77 2.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 72.42 111.086 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 1.393 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.593 2.628 0 N-CA-C 107.595 -1.261 . . . . 74.23 107.595 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.84 0.352 . . . . 71.14 111.138 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 1.402 ' SG ' ' CB ' ' A' ' 14' ' ' ALA . 0.8 OUTLIER -104.01 -74.88 0.63 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 75.15 110.862 -179.932 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 118.37 16.58 5.57 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.776 -0.726 . . . . 65.33 112.544 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' DBB . . . . . 1.317 ' CB ' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 111.55 -133.63 11.6 Favored Glycine 0 N--CA 1.451 -0.352 0 CA-C-O 123.491 1.606 . . . . 72.01 112.475 -177.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' IAS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.484 -0.246 . . . . 65.22 112.484 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 1.317 ' SG ' ' CB ' ' A' ' 4' ' ' DBB . 5.7 t -73.44 115.25 12.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.858 0.361 . . . . 74.23 110.879 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.74 162.76 20.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 74.24 111.069 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 72.1 mttt -103.88 -177.84 3.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.416 0.626 . . . . 74.22 110.902 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' DBB . . . . . 1.326 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 1.408 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 35.0 t -77.49 59.66 1.95 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 118.533 0.606 . . . . 55.41 110.89 -177.44 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.81 -36.18 1.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 63.55 111.09 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 1.402 ' CB ' ' SG ' ' A' ' 2' ' ' CYS . . . -170.46 -40.79 0.02 OUTLIER 'General case' 0 CA--C 1.594 2.639 0 N-CA-C 107.557 -1.275 . . . . 72.22 107.557 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.0 t -70.58 -71.56 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 74.22 110.807 -178.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 1.326 ' SG ' ' CB ' ' A' ' 11' ' ' DBB . 8.4 m -78.0 150.52 33.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 63.42 110.872 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -102.36 81.61 2.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 70.22 111.131 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 1.408 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . -50.76 103.58 0.06 Allowed 'General case' 0 CA--C 1.594 2.672 0 N-CA-C 107.564 -1.273 . . . . 75.21 107.564 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 65.23 110.91 -178.855 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.82 0.343 . . . . 74.3 111.092 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 1.392 ' SG ' ' CB ' ' A' ' 14' ' ' ALA . 0.5 OUTLIER -91.45 129.71 37.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 72.34 110.885 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -53.85 -41.46 67.12 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.743 -0.741 . . . . 73.13 112.522 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' DBB . . . . . 1.32 ' CB ' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 109.22 -113.56 3.74 Favored Glycine 0 N--CA 1.451 -0.304 0 CA-C-O 123.537 1.632 . . . . 75.24 112.434 -177.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' IAS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.509 -0.236 . . . . 52.32 112.509 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 1.32 ' SG ' ' CB ' ' A' ' 4' ' ' DBB . 8.3 t -52.23 158.24 1.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.818 0.342 . . . . 73.34 110.883 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.37 153.9 5.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 73.54 111.113 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.4 tttm -109.2 172.88 6.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.426 0.631 . . . . 73.21 110.868 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' DBB . . . . . 1.317 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 1.391 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 34.6 t -77.34 59.62 1.86 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 118.595 0.634 . . . . 74.2 110.868 -177.436 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.48 -36.27 1.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 63.31 111.1 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 1.392 ' CB ' ' SG ' ' A' ' 2' ' ' CYS . . . -171.42 -40.53 0.02 OUTLIER 'General case' 0 CA--C 1.593 2.62 0 N-CA-C 107.58 -1.267 . . . . 72.51 107.58 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.6 m -70.03 -70.2 0.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 71.4 110.88 -178.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 1.317 ' SG ' ' CB ' ' A' ' 11' ' ' DBB . 9.2 m -79.21 154.58 29.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 74.01 110.881 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -105.56 82.0 1.75 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 74.52 111.139 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 1.391 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . -50.9 -62.81 1.38 Allowed 'General case' 0 CA--C 1.593 2.618 0 N-CA-C 107.536 -1.283 . . . . 63.42 107.536 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 75.33 110.9 -178.824 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.781 0.324 . . . . 70.42 111.143 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 1.391 ' SG ' ' CB ' ' A' ' 14' ' ' ALA . 22.3 t -60.32 150.59 30.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 73.32 110.872 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -95.67 -35.81 5.53 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.743 -0.742 . . . . 74.34 112.508 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' DBB . . . . . 1.316 ' CB ' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -52.55 -92.92 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 CA-C-O 123.497 1.61 . . . . 72.14 112.46 -177.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' IAS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.486 -0.246 . . . . 71.44 112.486 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 1.316 ' SG ' ' CB ' ' A' ' 4' ' ' DBB . 1.1 t -87.95 155.55 19.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.859 0.361 . . . . 73.24 110.876 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.25 165.33 25.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 70.31 111.048 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.37 -176.35 2.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.452 0.644 . . . . 74.32 110.885 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' DBB . . . . . 1.317 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 1.4 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 7.6 m -77.63 58.69 1.84 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 118.567 0.621 . . . . 73.01 110.884 -177.462 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -127.92 -35.69 2.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 52.02 111.119 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 1.391 ' CB ' ' SG ' ' A' ' 2' ' ' CYS . . . -168.85 -41.2 0.02 OUTLIER 'General case' 0 CA--C 1.594 2.647 0 N-CA-C 107.556 -1.275 . . . . 71.12 107.556 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 48.1 t -71.76 -73.64 0.18 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 65.34 110.877 -178.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 1.317 ' SG ' ' CB ' ' A' ' 11' ' ' DBB . 7.3 m -75.35 156.27 35.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 63.11 110.904 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -112.12 83.14 1.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 71.43 111.094 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 1.4 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . -81.75 -44.31 17.2 Favored 'General case' 0 CA--C 1.594 2.646 0 N-CA-C 107.613 -1.255 . . . . 64.32 107.613 179.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.4 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 65.43 110.868 -178.834 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.786 0.327 . . . . 72.05 111.117 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 1.392 ' SG ' ' CB ' ' A' ' 14' ' ' ALA . 14.8 t -101.35 154.71 18.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 74.13 110.897 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -111.92 -26.28 4.47 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.744 -0.741 . . . . 74.32 112.507 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' DBB . . . . . 1.306 ' CB ' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -52.64 -92.74 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 CA-C-O 123.48 1.6 . . . . 63.21 112.478 -177.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' IAS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.486 -0.245 . . . . 64.13 112.486 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 1.306 ' SG ' ' CB ' ' A' ' 4' ' ' DBB . 1.6 t -92.1 142.86 27.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.352 . . . . 74.23 110.872 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.27 167.58 6.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 74.42 111.083 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.1 mmtt -113.84 -174.55 2.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.407 0.623 . . . . 73.01 110.912 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' DBB . . . . . 1.301 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 1.408 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 10.0 m -77.59 58.73 1.83 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 118.512 0.597 . . . . 74.51 110.909 -177.47 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -129.89 -35.92 1.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 73.34 111.05 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 1.392 ' CB ' ' SG ' ' A' ' 2' ' ' CYS . . . -166.91 -42.47 0.02 OUTLIER 'General case' 0 CA--C 1.593 2.621 0 N-CA-C 107.524 -1.287 . . . . 63.42 107.524 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.1 t -71.26 -74.24 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 65.23 110.83 -178.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 1.301 ' SG ' ' CB ' ' A' ' 11' ' ' DBB . 6.6 m -75.89 153.81 36.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 70.11 110.885 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -110.22 82.96 1.68 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 73.4 111.116 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 1.408 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . -82.17 -37.89 25.48 Favored 'General case' 0 CA--C 1.593 2.626 0 N-CA-C 107.562 -1.273 . . . . 70.33 107.562 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.2 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 71.44 110.856 -178.786 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.876 0.369 . . . . 71.11 111.104 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 1.385 ' SG ' ' CB ' ' A' ' 14' ' ' ALA . 16.9 p -67.48 -24.54 65.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 73.44 110.863 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 119.32 -48.89 0.91 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.77 -0.728 . . . . 43.21 112.492 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' DBB . . . . . 1.308 ' CB ' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 105.33 -116.61 5.29 Favored Glycine 0 N--CA 1.452 -0.285 0 CA-C-O 123.477 1.598 . . . . 72.13 112.47 -177.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' IAS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.426 -0.27 . . . . 72.15 112.426 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 1.308 ' SG ' ' CB ' ' A' ' 4' ' ' DBB . 4.9 t -51.91 158.72 0.98 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.832 0.349 . . . . 73.31 110.897 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -85.83 156.12 20.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 62.21 111.117 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.7 mtmt -108.01 -170.29 1.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.383 0.611 . . . . 74.15 110.883 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' DBB . . . . . 1.322 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 1.388 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 6.6 m -77.38 58.55 1.7 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 118.518 0.599 . . . . 63.11 110.85 -177.442 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -131.29 -35.69 1.33 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 70.04 111.1 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 1.385 ' CB ' ' SG ' ' A' ' 2' ' ' CYS . . . -165.18 -46.83 0.03 OUTLIER 'General case' 0 CA--C 1.594 2.641 0 N-CA-C 107.537 -1.282 . . . . 74.11 107.537 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.1 t -67.9 -73.07 0.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 75.42 110.896 -178.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 1.322 ' SG ' ' CB ' ' A' ' 11' ' ' DBB . 4.8 m -78.11 155.96 30.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.073 -0.512 . . . . 73.1 110.918 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.69 83.64 1.89 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 71.24 111.096 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 1.388 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . -84.27 108.73 17.3 Favored 'General case' 0 CA--C 1.593 2.619 0 N-CA-C 107.562 -1.273 . . . . 54.34 107.562 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 54.3 p . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 64.35 110.886 -178.837 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.859 0.362 . . . . 52.13 111.087 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 1.404 ' SG ' ' CB ' ' A' ' 14' ' ' ALA . 0.5 OUTLIER -64.71 162.04 16.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 75.23 110.885 -179.918 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -178.53 58.61 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.735 . . . . 63.21 112.553 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' DBB . . . . . 1.328 ' CB ' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -51.28 -91.2 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 CA-C-O 123.432 1.574 . . . . 74.44 112.51 -177.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' IAS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.49 -0.244 . . . . 74.33 112.49 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 1.328 ' SG ' ' CB ' ' A' ' 4' ' ' DBB . 4.4 t -89.37 135.79 33.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.873 0.368 . . . . 73.12 110.903 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.21 -179.65 5.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 65.33 111.132 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.4 ttmm -114.44 170.69 8.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.404 0.621 . . . . 74.34 110.915 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' DBB . . . . . 1.329 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 1.394 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 6.4 m -77.31 58.85 1.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 118.546 0.612 . . . . 75.03 110.821 -177.389 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.11 -35.95 1.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 53.41 111.102 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 1.404 ' CB ' ' SG ' ' A' ' 2' ' ' CYS . . . -170.09 -49.2 0.02 OUTLIER 'General case' 0 CA--C 1.593 2.631 0 N-CA-C 107.555 -1.276 . . . . 61.15 107.555 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 60.4 p -62.8 -65.98 0.61 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 74.31 110.85 -178.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 1.329 ' SG ' ' CB ' ' A' ' 11' ' ' DBB . 4.3 m -85.04 159.82 20.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 75.02 110.86 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -116.78 83.74 2.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 65.44 111.116 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 1.394 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . -77.72 -44.54 27.51 Favored 'General case' 0 CA--C 1.593 2.633 0 N-CA-C 107.607 -1.257 . . . . 54.04 107.607 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.6 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 64.43 110.836 -178.849 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.846 0.355 . . . . 65.02 111.123 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 1.404 ' SG ' ' CB ' ' A' ' 14' ' ' ALA . 7.1 m -105.4 -54.93 2.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 64.44 110.921 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 106.92 14.1 19.99 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.724 -0.751 . . . . 72.04 112.492 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' DBB . . . . . 1.327 ' CB ' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 112.17 -59.64 0.36 Allowed Glycine 0 N--CA 1.45 -0.369 0 CA-C-O 123.523 1.624 . . . . 64.32 112.539 -177.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' IAS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.478 -0.249 . . . . 72.23 112.478 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 1.327 ' SG ' ' CB ' ' A' ' 4' ' ' DBB . 29.3 t -85.3 121.65 28.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.817 0.341 . . . . 62.44 110.936 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.8 164.2 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 74.54 111.115 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.8 ttpt -110.27 172.5 6.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.454 0.645 . . . . 74.14 110.877 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' DBB . . . . . 1.322 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 1.401 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 7.8 m -77.41 58.41 1.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 118.558 0.617 . . . . 75.41 110.865 -177.442 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.46 -35.39 1.96 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 70.02 111.108 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 1.404 ' CB ' ' SG ' ' A' ' 2' ' ' CYS . . . -169.03 -40.79 0.02 OUTLIER 'General case' 0 CA--C 1.594 2.637 0 N-CA-C 107.507 -1.294 . . . . 74.23 107.507 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.2 t -71.98 -74.27 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 55.2 110.875 -178.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 1.322 ' SG ' ' CB ' ' A' ' 11' ' ' DBB . 8.9 m -74.55 159.72 31.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 75.45 110.9 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -114.87 83.19 1.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 73.12 111.074 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 1.401 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . -83.45 -40.56 19.11 Favored 'General case' 0 CA--C 1.593 2.628 0 N-CA-C 107.582 -1.266 . . . . 71.42 107.582 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 37.3 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 71.31 110.843 -178.783 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.809 0.338 . . . . 70.43 111.126 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 1.385 ' SG ' ' CB ' ' A' ' 14' ' ' ALA . 7.5 t -153.89 130.77 10.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 71.44 110.906 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.31 -25.77 49.12 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.719 -0.753 . . . . 54.14 112.538 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' DBB . . . . . 1.326 ' CB ' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -52.33 -92.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 CA-C-O 123.472 1.596 . . . . 71.41 112.531 -177.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' IAS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.485 -0.246 . . . . 65.1 112.485 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 1.326 ' SG ' ' CB ' ' A' ' 4' ' ' DBB . 0.9 OUTLIER -85.86 167.07 15.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.784 0.326 . . . . 71.41 110.937 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.74 153.95 19.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 73.02 111.095 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.5 pttm -104.86 -174.23 2.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.401 0.619 . . . . 75.3 110.884 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' DBB . . . . . 1.335 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 1.388 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 5.1 m -78.09 58.27 1.97 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 118.54 0.609 . . . . 74.22 110.904 -177.442 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.79 -35.68 1.87 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 65.53 111.094 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 1.385 ' CB ' ' SG ' ' A' ' 2' ' ' CYS . . . -168.09 -41.37 0.02 OUTLIER 'General case' 0 CA--C 1.594 2.636 0 N-CA-C 107.583 -1.266 . . . . 70.55 107.583 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 43.3 t -71.51 -74.31 0.16 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 75.33 110.883 -178.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 1.335 ' SG ' ' CB ' ' A' ' 11' ' ' DBB . 8.4 m -75.11 162.52 28.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.121 -0.49 . . . . 70.42 110.884 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -117.86 83.98 2.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 72.14 111.104 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 1.388 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . -85.8 108.88 18.31 Favored 'General case' 0 CA--C 1.593 2.631 0 N-CA-C 107.565 -1.272 . . . . 71.55 107.565 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.2 p . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 75.4 110.904 -178.836 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.806 0.336 . . . . 74.34 111.107 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 1.4 ' SG ' ' CB ' ' A' ' 14' ' ' ALA . 1.7 t -94.32 155.24 17.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 73.54 110.869 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -92.24 -19.34 39.28 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.743 -0.741 . . . . 73.24 112.472 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' DBB . . . . . 1.313 ' CB ' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -59.45 -102.94 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 CA-C-O 123.487 1.604 . . . . 75.52 112.507 -177.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' IAS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.491 -0.244 . . . . 64.52 112.491 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 1.313 ' SG ' ' CB ' ' A' ' 4' ' ' DBB . 4.2 t -52.23 161.73 0.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.869 0.366 . . . . 73.05 110.84 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.42 159.4 2.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 71.11 111.1 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.59 173.18 6.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.422 0.63 . . . . 75.02 110.918 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' DBB . . . . . 1.322 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 1.385 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 34.4 t -77.57 59.42 1.94 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 118.559 0.618 . . . . 64.13 110.866 -177.427 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.22 -36.33 1.94 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 74.21 111.146 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 1.4 ' CB ' ' SG ' ' A' ' 2' ' ' CYS . . . -171.01 -40.7 0.02 OUTLIER 'General case' 0 CA--C 1.593 2.619 0 N-CA-C 107.558 -1.275 . . . . 73.02 107.558 179.761 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.6 m -70.17 -70.72 0.28 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 75.12 110.831 -178.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 1.322 ' SG ' ' CB ' ' A' ' 11' ' ' DBB . 8.5 m -78.72 152.43 31.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 62.13 110.889 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -103.87 81.87 1.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 74.43 111.081 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 1.385 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . -50.71 103.74 0.06 Allowed 'General case' 0 CA--C 1.593 2.629 0 N-CA-C 107.551 -1.277 . . . . 75.21 107.551 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 72.15 110.851 -178.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.773 0.32 . . . . 74.31 111.096 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 1.402 ' SG ' ' CB ' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -118.68 154.2 33.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.252 -0.431 . . . . 73.11 110.902 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 178.63 46.37 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.727 -0.749 . . . . 71.43 112.477 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' DBB . . . . . 1.326 ' CB ' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -54.58 -78.33 0.12 Allowed Glycine 0 N--CA 1.452 -0.295 0 CA-C-O 123.464 1.591 . . . . 73.12 112.467 -177.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' IAS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.456 -0.257 . . . . 73.04 112.456 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 1.326 ' SG ' ' CB ' ' A' ' 4' ' ' DBB . 7.4 t -51.87 149.3 4.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.805 0.336 . . . . 64.14 110.886 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.68 141.92 58.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.443 . . . . 74.41 111.121 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.76 161.01 14.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.384 0.612 . . . . 71.44 110.886 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' DBB . . . . . 1.332 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 1.391 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 37.4 t -66.0 98.12 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 118.549 0.613 . . . . 72.42 110.845 -177.394 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -176.81 -37.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 60.12 111.08 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 1.402 ' CB ' ' SG ' ' A' ' 2' ' ' CYS . . . -163.14 -64.01 0.04 OUTLIER 'General case' 0 CA--C 1.594 2.642 0 N-CA-C 107.545 -1.279 . . . . 74.43 107.545 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 55.1 p -54.97 -64.77 0.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 74.23 110.842 -178.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 1.332 ' SG ' ' CB ' ' A' ' 11' ' ' DBB . 7.9 m -87.5 150.2 23.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 73.34 110.902 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -105.24 82.75 1.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 73.22 111.099 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 1.391 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . -50.42 103.92 0.06 Allowed 'General case' 0 CA--C 1.594 2.649 0 N-CA-C 107.569 -1.271 . . . . 65.31 107.569 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.0 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 74.11 110.84 -178.781 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.802 0.334 . . . . 71.15 111.128 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 1.395 ' SG ' ' CB ' ' A' ' 14' ' ' ALA . 4.7 t -116.38 144.88 43.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 74.13 110.884 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -70.11 -44.49 60.4 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.742 -0.742 . . . . 70.14 112.477 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' DBB . . . . . 1.314 ' CB ' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -50.28 -89.37 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 CA-C-O 123.512 1.618 . . . . 73.23 112.497 -177.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' IAS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.474 -0.25 . . . . 65.32 112.474 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 1.314 ' SG ' ' CB ' ' A' ' 4' ' ' DBB . 7.6 t -78.15 157.31 29.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.822 0.344 . . . . 74.3 110.848 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.24 125.43 19.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 63.13 111.112 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 44.8 pttt -87.74 169.96 11.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.403 0.62 . . . . 63.25 110.883 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' DBB . . . . . 1.321 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 1.399 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 5.5 m -77.53 58.6 1.77 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 118.542 0.61 . . . . 71.34 110.852 -177.462 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -129.79 -35.63 1.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 74.33 111.066 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 1.395 ' CB ' ' SG ' ' A' ' 2' ' ' CYS . . . -167.35 -41.64 0.02 OUTLIER 'General case' 0 CA--C 1.593 2.617 0 N-CA-C 107.523 -1.288 . . . . 71.25 107.523 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.2 m -71.96 -74.76 0.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 75.24 110.85 -178.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 1.321 ' SG ' ' CB ' ' A' ' 11' ' ' DBB . 8.3 m -74.59 160.85 30.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 63.14 110.919 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -116.61 83.85 2.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 72.0 111.071 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 1.399 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . -86.29 108.8 18.57 Favored 'General case' 0 CA--C 1.594 2.635 0 N-CA-C 107.553 -1.277 . . . . 51.01 107.553 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.5 p . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 75.31 110.869 -178.816 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.851 0.357 . . . . 75.51 111.162 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 1.396 ' SG ' ' CB ' ' A' ' 14' ' ' ALA . 2.4 t -53.22 126.22 20.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 74.35 110.854 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -65.02 -19.84 66.22 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 72.41 112.494 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' DBB . . . . . 1.317 ' CB ' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -52.32 -92.31 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 CA-C-O 123.448 1.582 . . . . 71.02 112.486 -177.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' IAS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.475 -0.25 . . . . 44.33 112.475 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 1.317 ' SG ' ' CB ' ' A' ' 4' ' ' DBB . 1.6 t -90.86 166.86 12.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.86 0.362 . . . . 64.32 110.861 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.63 153.77 41.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 74.1 111.077 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.2 mtmt -108.17 156.1 19.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.357 0.599 . . . . 74.1 110.874 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' DBB . . . . . 1.309 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 1.404 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 5.3 m -77.55 58.48 1.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 118.56 0.618 . . . . 73.22 110.87 -177.399 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -129.86 -35.81 1.63 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 71.42 111.094 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 1.396 ' CB ' ' SG ' ' A' ' 2' ' ' CYS . . . -165.81 -49.45 0.03 OUTLIER 'General case' 0 CA--C 1.594 2.641 0 N-CA-C 107.581 -1.266 . . . . 73.43 107.581 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 43.3 p -65.17 -70.7 0.22 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 70.44 110.849 -178.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 1.309 ' SG ' ' CB ' ' A' ' 11' ' ' DBB . 4.0 m -80.72 155.43 26.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.483 . . . . 74.21 110.903 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -114.05 84.17 1.99 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 74.32 111.131 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 1.404 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . -82.52 109.42 16.71 Favored 'General case' 0 CA--C 1.594 2.648 0 N-CA-C 107.58 -1.267 . . . . 73.31 107.58 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 81.8 p . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 71.41 110.828 -178.773 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.84 0.352 . . . . 60.22 111.156 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 1.39 ' SG ' ' CB ' ' A' ' 14' ' ' ALA . 15.9 p -101.04 -168.66 1.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 70.44 110.888 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -100.71 -37.45 3.7 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.736 -0.745 . . . . 72.14 112.474 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' DBB . . . . . 1.331 ' CB ' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 102.7 -115.42 5.19 Favored Glycine 0 N--CA 1.452 -0.3 0 CA-C-O 123.483 1.601 . . . . 74.52 112.483 -177.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' IAS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.481 -0.247 . . . . 71.33 112.481 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 1.331 ' SG ' ' CB ' ' A' ' 4' ' ' DBB . 5.0 t -51.66 159.77 0.73 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.86 0.362 . . . . 63.22 110.893 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -86.06 152.12 23.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 64.13 111.103 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.0 mtpt -106.14 -171.26 1.87 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.394 0.616 . . . . 72.44 110.91 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' DBB . . . . . 1.312 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 1.414 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 34.9 t -78.79 58.06 2.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 118.524 0.602 . . . . 75.31 110.883 -177.451 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -133.68 -35.66 0.98 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 53.33 111.088 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 1.39 ' CB ' ' SG ' ' A' ' 2' ' ' CYS . . . -169.85 -55.21 0.02 OUTLIER 'General case' 0 CA--C 1.594 2.653 0 N-CA-C 107.543 -1.28 . . . . 62.02 107.543 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.6 t -54.76 -59.66 4.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 74.22 110.841 -178.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 1.312 ' SG ' ' CB ' ' A' ' 11' ' ' DBB . 4.6 m -96.18 158.45 15.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 73.24 110.837 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -110.99 83.28 1.73 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 72.23 111.105 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 1.414 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . -50.64 104.18 0.07 Allowed 'General case' 0 CA--C 1.593 2.634 0 N-CA-C 107.561 -1.274 . . . . 74.02 107.561 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.9 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 74.0 110.855 -178.802 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.778 0.323 . . . . 74.21 111.1 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 1.405 ' SG ' ' CB ' ' A' ' 14' ' ' ALA . 16.7 p -98.15 -25.34 14.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 75.43 110.867 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 150.07 -27.15 1.14 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 73.04 112.487 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' DBB . . . . . 1.328 ' CB ' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -56.46 -88.25 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 CA-C-O 123.45 1.583 . . . . 43.51 112.483 -177.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' IAS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.434 -0.266 . . . . 73.03 112.434 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 1.328 ' SG ' ' CB ' ' A' ' 4' ' ' DBB . 1.6 t -82.54 140.5 33.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.835 0.35 . . . . 74.24 110.877 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.81 135.93 40.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 72.25 111.138 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -91.12 179.57 5.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.402 0.62 . . . . 75.2 110.859 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' DBB . . . . . 1.331 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 1.41 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 10.7 m -77.4 58.53 1.7 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 118.529 0.604 . . . . 71.41 110.869 -177.405 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -130.13 -35.79 1.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 75.23 111.052 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 1.405 ' CB ' ' SG ' ' A' ' 2' ' ' CYS . . . -166.57 -43.01 0.02 OUTLIER 'General case' 0 CA--C 1.594 2.637 0 N-CA-C 107.555 -1.276 . . . . 71.31 107.555 179.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.8 m -70.92 -74.35 0.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 71.22 110.85 -178.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 1.331 ' SG ' ' CB ' ' A' ' 11' ' ' DBB . 6.8 m -75.69 153.85 36.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 75.35 110.876 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -110.4 82.86 1.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 73.43 111.113 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 1.41 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . -82.56 -49.3 10.02 Favored 'General case' 0 CA--C 1.593 2.628 0 N-CA-C 107.584 -1.265 . . . . 54.34 107.584 179.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.9 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 75.33 110.842 -178.848 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.846 0.355 . . . . 72.22 111.114 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 1.392 ' SG ' ' CB ' ' A' ' 14' ' ' ALA . 4.5 t -155.69 154.23 31.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 70.13 110.901 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -105.98 -31.39 4.16 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.742 -0.742 . . . . 63.42 112.501 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' DBB . . . . . 1.326 ' CB ' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -53.22 -93.63 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 CA-C-O 123.521 1.623 . . . . 73.42 112.497 -177.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' IAS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.501 -0.24 . . . . 72.33 112.501 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 1.326 ' SG ' ' CB ' ' A' ' 4' ' ' DBB . 0.5 OUTLIER -80.94 173.66 12.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.789 0.328 . . . . 65.52 110.897 -179.866 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -99.17 162.34 13.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 74.43 111.112 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.22 174.07 6.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.383 0.611 . . . . 73.51 110.883 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' DBB . . . . . 1.319 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 1.413 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 6.8 m -76.94 59.57 1.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 118.535 0.607 . . . . 73.25 110.922 -177.462 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -127.83 -36.19 2.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 62.34 111.108 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 1.392 ' CB ' ' SG ' ' A' ' 2' ' ' CYS . . . -168.27 -44.75 0.02 OUTLIER 'General case' 0 CA--C 1.594 2.636 0 N-CA-C 107.546 -1.279 . . . . 74.21 107.546 179.749 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.7 p -68.76 -71.26 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 75.22 110.836 -178.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 1.319 ' SG ' ' CB ' ' A' ' 11' ' ' DBB . 4.9 m -77.97 153.13 32.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 70.31 110.861 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -110.7 82.96 1.68 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 72.1 111.091 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 1.413 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . -78.82 -46.2 19.22 Favored 'General case' 0 CA--C 1.593 2.632 0 N-CA-C 107.592 -1.262 . . . . 61.2 107.592 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.8 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 62.12 110.838 -178.813 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.792 0.33 . . . . 63.23 111.061 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 1.407 ' SG ' ' CB ' ' A' ' 14' ' ' ALA . 1.4 m -52.19 -74.96 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 70.01 110.833 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 113.7 18.92 6.73 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.769 -0.729 . . . . 70.04 112.494 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' DBB . . . . . 1.32 ' CB ' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -51.65 -91.49 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 CA-C-O 123.463 1.591 . . . . 73.24 112.512 -177.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' IAS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.529 -0.229 . . . . 72.11 112.529 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 1.32 ' SG ' ' CB ' ' A' ' 4' ' ' DBB . 2.8 t -88.1 113.34 23.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.839 0.352 . . . . 73.03 110.868 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.66 159.91 2.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 72.3 111.116 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.89 155.85 21.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.411 0.624 . . . . 74.13 110.906 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' DBB . . . . . 1.321 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 1.387 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 5.5 m -77.54 58.31 1.73 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 118.56 0.618 . . . . 75.43 110.91 -177.425 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -130.82 -35.74 1.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 71.13 111.116 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 1.407 ' CB ' ' SG ' ' A' ' 2' ' ' CYS . . . -164.46 -52.26 0.03 OUTLIER 'General case' 0 CA--C 1.594 2.644 0 N-CA-C 107.603 -1.258 . . . . 72.51 107.603 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.2 p -63.26 -69.7 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 73.3 110.851 -178.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 1.321 ' SG ' ' CB ' ' A' ' 11' ' ' DBB . 3.7 m -82.75 152.35 25.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.117 -0.492 . . . . 73.3 110.848 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -112.25 84.0 1.89 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 64.23 111.07 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 1.387 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . -81.89 106.44 13.81 Favored 'General case' 0 CA--C 1.593 2.625 0 N-CA-C 107.542 -1.281 . . . . 60.25 107.542 179.788 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.3 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 74.35 110.857 -178.815 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.862 0.363 . . . . 71.44 111.078 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 1.406 ' SG ' ' CB ' ' A' ' 14' ' ' ALA . 8.9 t -63.17 153.8 33.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 72.4 110.924 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -73.01 -29.14 65.28 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.747 -0.74 . . . . 74.22 112.553 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' DBB . . . . . 1.312 ' CB ' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -51.91 -73.99 0.34 Allowed Glycine 0 N--CA 1.452 -0.273 0 CA-C-O 123.469 1.594 . . . . 73.14 112.478 -177.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' IAS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.479 -0.248 . . . . 73.02 112.479 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 1.312 ' SG ' ' CB ' ' A' ' 4' ' ' DBB . 2.4 t -57.84 164.45 2.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.871 0.367 . . . . 74.15 110.902 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.36 154.3 1.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 65.54 111.065 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.0 mttp -112.67 172.93 6.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.396 0.617 . . . . 73.33 110.856 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' DBB . . . . . 1.331 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 1.4 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 8.7 t -79.77 57.13 2.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 118.548 0.613 . . . . 74.14 110.853 -177.415 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -127.23 -35.67 2.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 63.15 111.107 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 1.406 ' CB ' ' SG ' ' A' ' 2' ' ' CYS . . . -173.1 -42.19 0.01 OUTLIER 'General case' 0 CA--C 1.594 2.64 0 N-CA-C 107.564 -1.272 . . . . 74.33 107.564 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.7 t -66.41 -68.3 0.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 72.11 110.85 -178.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 1.331 ' SG ' ' CB ' ' A' ' 11' ' ' DBB . 11.8 m -82.23 120.43 25.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 61.14 110.891 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.8 77.48 1.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 75.2 111.104 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 1.4 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . -76.35 -41.4 48.39 Favored 'General case' 0 CA--C 1.593 2.619 0 N-CA-C 107.545 -1.28 . . . . 64.0 107.545 179.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.1 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 64.04 110.836 -178.751 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.847 0.356 . . . . 74.55 111.098 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 1.402 ' SG ' ' CB ' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -153.9 133.57 12.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 72.24 110.864 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -151.37 22.12 0.95 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.739 . . . . 55.53 112.42 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' DBB . . . . . 1.305 ' CB ' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 89.9 119.58 1.95 Allowed Glycine 0 N--CA 1.45 -0.375 0 CA-C-O 123.477 1.598 . . . . 73.44 112.534 -177.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' IAS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.468 -0.253 . . . . 64.44 112.468 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 1.305 ' SG ' ' CB ' ' A' ' 4' ' ' DBB . 8.8 t -137.49 140.72 41.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.796 0.332 . . . . 73.54 110.89 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.44 -175.04 4.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 73.53 111.083 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -109.69 176.19 5.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.353 0.597 . . . . 62.32 110.919 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' DBB . . . . . 1.322 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 1.401 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 88.3 m -64.12 -12.36 38.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 118.54 0.609 . . . . 74.11 110.932 -177.435 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -46.67 -41.36 14.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 74.24 111.126 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 1.402 ' CB ' ' SG ' ' A' ' 2' ' ' CYS . . . -175.68 -51.36 0.01 OUTLIER 'General case' 0 CA--C 1.594 2.637 0 N-CA-C 107.551 -1.278 . . . . 75.21 107.551 179.765 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.2 t -48.84 -75.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 73.53 110.887 -178.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 1.322 ' SG ' ' CB ' ' A' ' 11' ' ' DBB . 18.6 m -68.73 128.46 36.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 74.53 110.948 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.5 73.17 3.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 64.14 111.14 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 1.401 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . -61.31 -39.33 90.09 Favored 'General case' 0 CA--C 1.593 2.61 0 N-CA-C 107.54 -1.282 . . . . 73.53 107.54 179.788 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 72.5 110.883 -178.82 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.859 0.361 . . . . 60.12 111.093 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 1.396 ' SG ' ' CB ' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -91.41 95.31 9.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 71.12 110.876 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -72.47 -25.56 73.96 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.732 -0.746 . . . . 63.21 112.528 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' DBB . . . . . 1.317 ' CB ' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -179.9 44.7 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 CA-C-O 123.528 1.626 . . . . 64.34 112.5 -177.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' IAS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.457 -0.257 . . . . 74.12 112.457 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 1.317 ' SG ' ' CB ' ' A' ' 4' ' ' DBB . 35.7 m -64.4 119.22 9.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.838 0.352 . . . . 74.02 110.884 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.74 171.73 6.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 74.02 111.091 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -95.58 -178.48 4.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.362 0.601 . . . . 73.42 110.888 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' DBB . . . . . 1.334 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 1.402 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 3.2 t -77.57 58.81 1.83 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 118.5 0.591 . . . . 73.23 110.884 -177.462 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -127.56 -35.79 2.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 75.21 111.122 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 1.396 ' CB ' ' SG ' ' A' ' 2' ' ' CYS . . . -170.45 -40.52 0.02 OUTLIER 'General case' 0 CA--C 1.593 2.613 0 N-CA-C 107.59 -1.263 . . . . 73.01 107.59 179.762 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.8 m -71.21 -72.32 0.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 71.02 110.858 -178.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 1.334 ' SG ' ' CB ' ' A' ' 11' ' ' DBB . 8.5 m -76.59 161.72 28.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 72.2 110.903 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -99.93 4.65 45.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 74.11 111.106 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 1.402 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . 52.43 90.31 0.03 OUTLIER 'General case' 0 CA--C 1.593 2.627 0 N-CA-C 107.604 -1.258 . . . . 72.44 107.604 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.6 p . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 74.53 110.847 -178.784 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.843 0.354 . . . . 73.22 111.106 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 1.402 ' SG ' ' CB ' ' A' ' 14' ' ' ALA . 0.9 OUTLIER 61.44 37.69 16.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 62.15 110.899 -179.912 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -81.62 57.43 4.91 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.777 -0.725 . . . . 70.41 112.459 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' DBB . . . . . 1.308 ' CB ' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 125.87 -111.37 1.45 Allowed Glycine 0 N--CA 1.451 -0.316 0 CA-C-O 123.471 1.595 . . . . 70.34 112.495 -177.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' IAS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.43 -0.268 . . . . 71.14 112.43 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 1.308 ' SG ' ' CB ' ' A' ' 4' ' ' DBB . 46.6 t -57.69 118.51 5.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.805 0.335 . . . . 63.34 110.884 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.07 -176.72 4.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 74.44 111.099 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.0 mmmt -113.98 175.43 5.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.397 0.618 . . . . 75.44 110.881 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' DBB . . . . . 1.317 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 1.393 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 81.3 m -77.45 59.27 1.85 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 118.569 0.622 . . . . 61.35 110.882 -177.434 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -129.09 -36.26 1.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 63.22 111.103 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 1.402 ' CB ' ' SG ' ' A' ' 2' ' ' CYS . . . -174.56 -44.3 0.01 OUTLIER 'General case' 0 CA--C 1.594 2.647 0 N-CA-C 107.594 -1.262 . . . . 74.5 107.594 179.789 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.3 t -63.69 -61.93 1.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 74.51 110.895 -178.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 1.317 ' SG ' ' CB ' ' A' ' 11' ' ' DBB . 9.6 m -89.28 134.22 34.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.493 . . . . 72.03 110.837 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.22 -61.77 2.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 72.42 111.086 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 1.393 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . 64.58 16.04 10.04 Favored 'General case' 0 CA--C 1.593 2.628 0 N-CA-C 107.595 -1.261 . . . . 74.23 107.595 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 74.51 110.891 -178.828 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.908 0.385 . . . . 61.53 111.069 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 72.1 mttt . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 121.416 0.626 . . . . 73.23 110.902 179.977 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 1.408 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 35.0 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.812 0.339 . . . . 51.33 110.89 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.81 -36.18 1.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 63.55 111.09 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -170.46 -40.79 0.02 OUTLIER 'General case' 0 CA--C 1.594 2.639 0 N-CA-C 107.557 -1.275 . . . . 54.34 107.557 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.0 t -70.58 -71.56 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 72.45 110.807 -178.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.4 m -78.0 150.52 33.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 63.42 110.872 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -102.36 81.61 2.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 70.22 111.131 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 1.408 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.594 2.672 0 N-CA-C 107.564 -1.273 . . . . 65.12 107.564 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.47 ' HB1' ' CB ' ' A' ' 13' ' ' ALA . . . . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.876 0.37 . . . . 73.54 111.113 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.4 tttm . . . . . 0 C--N 1.33 -0.281 0 CA-C-O 121.426 0.631 . . . . 65.13 110.868 179.972 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 1.391 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 34.6 t . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.811 0.338 . . . . 33.55 110.868 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.47 ' CB ' ' HB1' ' A' ' 9' ' ' ALA . . . -128.48 -36.27 1.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 60.1 111.1 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -171.42 -40.53 0.02 OUTLIER 'General case' 0 CA--C 1.593 2.62 0 N-CA-C 107.58 -1.267 . . . . 72.51 107.58 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.6 m -70.03 -70.2 0.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 71.4 110.88 -178.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 9.2 m -79.21 154.58 29.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 74.01 110.881 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -105.56 82.0 1.75 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 74.52 111.139 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 1.391 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.593 2.618 0 N-CA-C 107.536 -1.283 . . . . 63.42 107.536 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.878 0.371 . . . . 64.31 111.048 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 121.452 0.644 . . . . 74.3 110.885 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 1.616 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 7.6 m . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.844 0.354 . . . . 73.01 110.884 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -127.92 -35.69 2.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 21.22 111.119 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -168.85 -41.2 0.02 OUTLIER 'General case' 0 CA--C 1.594 2.647 0 N-CA-C 107.556 -1.275 . . . . 71.12 107.556 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 48.1 t -71.76 -73.64 0.18 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 65.34 110.877 -178.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.3 m -75.35 156.27 35.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 63.11 110.904 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -112.12 83.14 1.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 64.13 111.094 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 1.616 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.594 2.646 0 N-CA-C 107.613 -1.255 . . . . 64.32 107.613 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.853 0.358 . . . . 34.1 111.083 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.1 mmtt . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 121.407 0.623 . . . . 73.01 110.912 179.927 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 1.623 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 10.0 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.826 0.346 . . . . 70.35 110.909 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -129.89 -35.92 1.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 61.14 111.05 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -166.91 -42.47 0.02 OUTLIER 'General case' 0 CA--C 1.593 2.621 0 N-CA-C 107.524 -1.287 . . . . 63.42 107.524 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.1 t -71.26 -74.24 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 61.1 110.83 -178.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.6 m -75.89 153.81 36.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 70.11 110.885 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -110.22 82.96 1.68 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 64.24 111.116 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 1.623 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.593 2.626 0 N-CA-C 107.562 -1.273 . . . . 70.33 107.562 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.868 0.366 . . . . 52.14 111.117 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.7 mtmt . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.383 0.611 . . . . 72.14 110.883 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 1.565 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 6.6 m . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.82 0.343 . . . . 63.11 110.85 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -131.29 -35.69 1.33 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 70.04 111.1 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -165.18 -46.83 0.03 OUTLIER 'General case' 0 CA--C 1.594 2.641 0 N-CA-C 107.537 -1.282 . . . . 70.11 107.537 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.1 t -67.9 -73.07 0.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 72.15 110.896 -178.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.8 m -78.11 155.96 30.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.073 -0.512 . . . . 61.42 110.918 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.69 83.64 1.89 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 71.24 111.096 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 1.565 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.593 2.619 0 N-CA-C 107.562 -1.273 . . . . 54.13 107.562 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.488 ' HB3' ' CB ' ' A' ' 13' ' ' ALA . . . . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.845 0.355 . . . . 64.01 111.132 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.4 ttmm . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 121.404 0.621 . . . . 74.13 110.915 179.962 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 1.637 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 6.4 m . . . . . 0 CA--C 1.527 0.08 0 CA-C-O 120.83 0.348 . . . . 75.03 110.821 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.488 ' CB ' ' HB3' ' A' ' 9' ' ' ALA . . . -128.11 -35.95 1.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 53.41 111.102 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -170.09 -49.2 0.02 OUTLIER 'General case' 0 CA--C 1.593 2.631 0 N-CA-C 107.555 -1.276 . . . . 61.15 107.555 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 60.4 p -62.8 -65.98 0.61 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 53.34 110.85 -178.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.3 m -85.04 159.82 20.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 70.21 110.86 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -116.78 83.74 2.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 63.05 111.116 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 1.637 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.593 2.633 0 N-CA-C 107.607 -1.257 . . . . 44.21 107.607 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.805 0.336 . . . . 74.54 111.115 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.8 ttpt . . . . . 0 C--N 1.328 -0.336 0 CA-C-O 121.454 0.645 . . . . 74.14 110.877 179.959 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 1.616 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 7.8 m . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.806 0.336 . . . . 75.41 110.865 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.46 -35.39 1.96 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 70.02 111.108 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -169.03 -40.79 0.02 OUTLIER 'General case' 0 CA--C 1.594 2.637 0 N-CA-C 107.507 -1.294 . . . . 74.23 107.507 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.2 t -71.98 -74.27 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 55.2 110.875 -178.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.9 m -74.55 159.72 31.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 73.24 110.9 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -114.87 83.19 1.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 54.45 111.074 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 1.616 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.593 2.628 0 N-CA-C 107.582 -1.266 . . . . 64.23 107.582 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.856 0.36 . . . . 73.02 111.095 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.5 pttm . . . . . 0 C--N 1.329 -0.326 0 CA-C-O 121.401 0.619 . . . . 75.3 110.884 179.974 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 1.593 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 5.1 m . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.91 0.386 . . . . 74.22 110.904 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.79 -35.68 1.87 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 61.13 111.094 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -168.09 -41.37 0.02 OUTLIER 'General case' 0 CA--C 1.594 2.636 0 N-CA-C 107.583 -1.266 . . . . 54.13 107.583 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 43.3 t -71.51 -74.31 0.16 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 54.52 110.883 -178.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.4 m -75.11 162.52 28.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.121 -0.49 . . . . 70.42 110.884 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -117.86 83.98 2.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 72.14 111.104 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 1.593 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.593 2.631 0 N-CA-C 107.565 -1.272 . . . . 71.55 107.565 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.4 ' HB1' ' HB3' ' A' ' 13' ' ' ALA . . . . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.828 0.346 . . . . 71.11 111.1 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 121.422 0.63 . . . . 72.43 110.918 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 1.385 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 34.4 t . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.847 0.356 . . . . 64.13 110.866 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.4 ' HB3' ' HB1' ' A' ' 9' ' ' ALA . . . -128.22 -36.33 1.94 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 72.43 111.146 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -171.01 -40.7 0.02 OUTLIER 'General case' 0 CA--C 1.593 2.619 0 N-CA-C 107.558 -1.275 . . . . 71.31 107.558 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.6 m -70.17 -70.72 0.28 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 75.12 110.831 -178.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.5 m -78.72 152.43 31.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 61.11 110.889 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -103.87 81.87 1.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 73.11 111.081 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 1.385 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.593 2.629 0 N-CA-C 107.551 -1.277 . . . . 75.21 107.551 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.849 0.356 . . . . 73.01 111.121 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 121.384 0.612 . . . . 71.44 110.886 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 1.391 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 37.4 t . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.84 0.352 . . . . 72.42 110.845 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -176.81 -37.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 60.12 111.08 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -163.14 -64.01 0.04 OUTLIER 'General case' 0 CA--C 1.594 2.642 0 N-CA-C 107.545 -1.279 . . . . 74.43 107.545 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 55.1 p -54.97 -64.77 0.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 74.23 110.842 -178.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.9 m -87.5 150.2 23.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 73.34 110.902 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -105.24 82.75 1.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 4.23 111.099 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 1.391 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.594 2.649 0 N-CA-C 107.569 -1.271 . . . . 54.01 107.569 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.527 ' HB1' ' CB ' ' A' ' 13' ' ' ALA . . . . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.797 0.332 . . . . 33.32 111.112 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 44.8 pttt . . . . . 0 C--N 1.328 -0.346 0 CA-C-O 121.403 0.62 . . . . 63.25 110.883 179.974 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 1.54 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 5.5 m . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.822 0.344 . . . . 61.13 110.852 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.527 ' CB ' ' HB1' ' A' ' 9' ' ' ALA . . . -129.79 -35.63 1.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 74.33 111.066 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -167.35 -41.64 0.02 OUTLIER 'General case' 0 CA--C 1.593 2.617 0 N-CA-C 107.523 -1.288 . . . . 71.25 107.523 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.2 m -71.96 -74.76 0.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 75.24 110.85 -178.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.3 m -74.59 160.85 30.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 63.14 110.919 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -116.61 83.85 2.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 72.0 111.071 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 1.54 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.594 2.635 0 N-CA-C 107.553 -1.277 . . . . 51.01 107.553 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.89 0.376 . . . . 72.05 111.077 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.2 mtmt . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 121.357 0.599 . . . . 74.1 110.874 -179.99 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 1.557 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 5.3 m . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.802 0.334 . . . . 62.51 110.87 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -129.86 -35.81 1.63 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 71.42 111.094 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -165.81 -49.45 0.03 OUTLIER 'General case' 0 CA--C 1.594 2.641 0 N-CA-C 107.581 -1.266 . . . . 73.43 107.581 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 43.3 p -65.17 -70.7 0.22 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 70.44 110.849 -178.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.0 m -80.72 155.43 26.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.483 . . . . 35.33 110.903 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -114.05 84.17 1.99 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 54.23 111.131 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 1.557 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.594 2.648 0 N-CA-C 107.58 -1.267 . . . . 73.31 107.58 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.845 0.355 . . . . 64.13 111.103 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.0 mtpt . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 121.394 0.616 . . . . 72.44 110.91 179.967 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 1.414 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 34.9 t . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.815 0.34 . . . . 62.53 110.883 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -133.68 -35.66 0.98 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 53.33 111.088 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -169.85 -55.21 0.02 OUTLIER 'General case' 0 CA--C 1.594 2.653 0 N-CA-C 107.543 -1.28 . . . . 62.02 107.543 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.6 t -54.76 -59.66 4.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 60.3 110.841 -178.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.6 m -96.18 158.45 15.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 72.32 110.837 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -110.99 83.28 1.73 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 50.41 111.105 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 1.414 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.593 2.634 0 N-CA-C 107.561 -1.274 . . . . 64.1 107.561 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.42 ' HB1' ' CB ' ' A' ' 13' ' ' ALA . . . . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.856 0.36 . . . . 72.14 111.138 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 121.402 0.62 . . . . 74.12 110.859 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 1.613 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 10.7 m . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.812 0.339 . . . . 71.41 110.869 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.42 ' CB ' ' HB1' ' A' ' 9' ' ' ALA . . . -130.13 -35.79 1.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 75.23 111.052 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -166.57 -43.01 0.02 OUTLIER 'General case' 0 CA--C 1.594 2.637 0 N-CA-C 107.555 -1.276 . . . . 71.31 107.555 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.8 m -70.92 -74.35 0.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 71.22 110.85 -178.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.8 m -75.69 153.85 36.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 75.35 110.876 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -110.4 82.86 1.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 73.43 111.113 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 1.613 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.593 2.628 0 N-CA-C 107.584 -1.265 . . . . 54.34 107.584 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.846 0.355 . . . . 44.34 111.112 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 121.383 0.611 . . . . 63.4 110.883 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 1.675 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 6.8 m . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.814 0.34 . . . . 73.25 110.922 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -127.83 -36.19 2.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 62.34 111.108 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -168.27 -44.75 0.02 OUTLIER 'General case' 0 CA--C 1.594 2.636 0 N-CA-C 107.546 -1.279 . . . . 74.21 107.546 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.7 p -68.76 -71.26 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 75.22 110.836 -178.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.9 m -77.97 153.13 32.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 55.53 110.861 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -110.7 82.96 1.68 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 72.1 111.091 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 1.675 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.593 2.632 0 N-CA-C 107.592 -1.262 . . . . 61.2 107.592 179.761 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.817 0.341 . . . . 71.05 111.116 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 121.411 0.624 . . . . 74.01 110.906 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 1.601 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 5.5 m . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.84 0.352 . . . . 61.34 110.91 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -130.82 -35.74 1.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 60.14 111.116 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -164.46 -52.26 0.03 OUTLIER 'General case' 0 CA--C 1.594 2.644 0 N-CA-C 107.603 -1.258 . . . . 72.51 107.603 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.2 p -63.26 -69.7 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 73.3 110.851 -178.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.7 m -82.75 152.35 25.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.117 -0.492 . . . . 73.3 110.848 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -112.25 84.0 1.89 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 64.23 111.07 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 1.601 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.593 2.625 0 N-CA-C 107.542 -1.281 . . . . 60.25 107.542 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.533 ' HB1' ' CB ' ' A' ' 13' ' ' ALA . . . . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.86 0.362 . . . . 65.54 111.065 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.0 mttp . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 121.396 0.617 . . . . 73.33 110.856 179.964 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 1.732 ' SG ' ' HB3' ' A' ' 18' ' ' ALA . 8.7 t . . . . . 0 N--CA 1.458 -0.052 0 CA-C-O 120.831 0.348 . . . . 74.14 110.853 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.533 ' CB ' ' HB1' ' A' ' 9' ' ' ALA . . . -127.23 -35.67 2.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 61.14 111.107 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -173.1 -42.19 0.01 OUTLIER 'General case' 0 CA--C 1.594 2.64 0 N-CA-C 107.564 -1.272 . . . . 52.41 107.564 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.7 t -66.41 -68.3 0.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 52.25 110.85 -178.752 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 11.8 m -82.23 120.43 25.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 61.14 110.891 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.8 77.48 1.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 75.2 111.104 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 1.732 ' HB3' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.593 2.619 0 N-CA-C 107.545 -1.28 . . . . 64.0 107.545 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.907 0.384 . . . . 73.53 111.083 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.414 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 121.353 0.597 . . . . 62.32 110.919 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 1.68 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 88.3 m . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.872 0.368 . . . . 55.31 110.932 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 10' ' ' LYS . . . -46.67 -41.36 14.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 64.31 111.126 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -175.68 -51.36 0.01 OUTLIER 'General case' 0 CA--C 1.594 2.637 0 N-CA-C 107.551 -1.278 . . . . 75.21 107.551 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.2 t -48.84 -75.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 73.53 110.887 -178.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.6 m -68.73 128.46 36.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 74.53 110.948 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.5 73.17 3.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 34.44 111.14 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 1.68 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.593 2.61 0 N-CA-C 107.54 -1.282 . . . . 60.05 107.54 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.549 ' HB3' ' CB ' ' A' ' 13' ' ' ALA . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.854 0.359 . . . . 63.22 111.091 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 121.362 0.601 . . . . 62.31 110.888 179.947 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 1.456 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 3.2 t . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.835 0.35 . . . . 73.23 110.884 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.549 ' CB ' ' HB3' ' A' ' 9' ' ' ALA . . . -127.56 -35.79 2.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 54.04 111.122 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -170.45 -40.52 0.02 OUTLIER 'General case' 0 CA--C 1.593 2.613 0 N-CA-C 107.59 -1.263 . . . . 73.01 107.59 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.8 m -71.21 -72.32 0.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 71.02 110.858 -178.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.5 m -76.59 161.72 28.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 72.2 110.903 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -99.93 4.65 45.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 73.04 111.106 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 1.456 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.593 2.627 0 N-CA-C 107.604 -1.258 . . . . 72.44 107.604 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.522 ' HB3' ' CB ' ' A' ' 13' ' ' ALA . . . . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.909 0.385 . . . . 74.44 111.099 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.0 mmmt . . . . . 0 C--N 1.33 -0.272 0 CA-C-O 121.397 0.618 . . . . 73.23 110.881 179.994 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 1.393 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 81.3 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.889 0.376 . . . . 60.44 110.882 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.522 ' CB ' ' HB3' ' A' ' 9' ' ' ALA . . . -129.09 -36.26 1.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 54.34 111.103 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -174.56 -44.3 0.01 OUTLIER 'General case' 0 CA--C 1.594 2.647 0 N-CA-C 107.594 -1.262 . . . . 74.5 107.594 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.3 t -63.69 -61.93 1.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 53.14 110.895 -178.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 9.6 m -89.28 134.22 34.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.493 . . . . 72.03 110.837 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.22 -61.77 2.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 60.11 111.086 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 1.393 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.593 2.628 0 N-CA-C 107.595 -1.261 . . . . 74.23 107.595 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.84 0.352 . . . . 71.14 111.138 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 1.402 ' SG ' ' CB ' ' A' ' 14' ' ' ALA . 0.8 OUTLIER -104.01 -74.88 0.63 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 75.15 110.862 -179.932 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 118.37 16.58 5.57 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.776 -0.726 . . . . 62.3 112.544 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' DBB . . . . . 1.679 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 111.55 -133.63 11.6 Favored Glycine 0 N--CA 1.451 -0.352 0 CA-C-O 123.491 1.606 . . . . 72.01 112.475 -177.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' IAS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.484 -0.246 . . . . 64.15 112.484 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 1.679 ' SG ' ' HB3' ' A' ' 4' ' ' DBB . 5.7 t -73.44 115.25 12.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.858 0.361 . . . . 74.23 110.879 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.74 162.76 20.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 61.53 111.069 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.434 ' HB3' ' H1 ' ' A' ' 11' ' ' DBB . 72.1 mttt -103.88 -177.84 3.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.416 0.626 . . . . 73.23 110.902 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' DBB . . . . . 1.688 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 1.408 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 35.0 t -77.49 59.66 1.95 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 118.533 0.606 . . . . 51.33 110.89 -177.44 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.81 -36.18 1.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 63.55 111.09 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 1.402 ' CB ' ' SG ' ' A' ' 2' ' ' CYS . . . -170.46 -40.79 0.02 OUTLIER 'General case' 0 CA--C 1.594 2.639 0 N-CA-C 107.557 -1.275 . . . . 54.34 107.557 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.0 t -70.58 -71.56 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 72.45 110.807 -178.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 1.688 ' SG ' ' HB3' ' A' ' 11' ' ' DBB . 8.4 m -78.0 150.52 33.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 63.42 110.872 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -102.36 81.61 2.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 70.22 111.131 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 1.408 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . -50.76 103.58 0.06 Allowed 'General case' 0 CA--C 1.594 2.672 0 N-CA-C 107.564 -1.273 . . . . 65.12 107.564 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 51.25 110.91 -178.855 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.82 0.343 . . . . 61.22 111.092 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 1.431 ' SG ' ' HB2' ' A' ' 14' ' ' ALA . 0.5 OUTLIER -91.45 129.71 37.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 72.34 110.885 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -53.85 -41.46 67.12 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.743 -0.741 . . . . 73.13 112.522 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' DBB . . . . . 1.707 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 109.22 -113.56 3.74 Favored Glycine 0 N--CA 1.451 -0.304 0 CA-C-O 123.537 1.632 . . . . 75.24 112.434 -177.456 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' IAS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.509 -0.236 . . . . 52.01 112.509 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 1.707 ' SG ' ' HB3' ' A' ' 4' ' ' DBB . 8.3 t -52.23 158.24 1.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.818 0.342 . . . . 51.41 110.883 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.47 ' HB1' ' CB ' ' A' ' 13' ' ' ALA . . . -54.37 153.9 5.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 73.54 111.113 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.468 ' HG2' ' H1 ' ' A' ' 11' ' ' DBB . 22.4 tttm -109.2 172.88 6.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.426 0.631 . . . . 65.13 110.868 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' DBB . . . . . 1.661 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 1.391 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 34.6 t -77.34 59.62 1.86 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 118.595 0.634 . . . . 33.55 110.868 -177.436 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.47 ' CB ' ' HB1' ' A' ' 9' ' ' ALA . . . -128.48 -36.27 1.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 60.1 111.1 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 1.431 ' HB2' ' SG ' ' A' ' 2' ' ' CYS . . . -171.42 -40.53 0.02 OUTLIER 'General case' 0 CA--C 1.593 2.62 0 N-CA-C 107.58 -1.267 . . . . 72.51 107.58 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.6 m -70.03 -70.2 0.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 71.4 110.88 -178.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 1.661 ' SG ' ' HB3' ' A' ' 11' ' ' DBB . 9.2 m -79.21 154.58 29.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 74.01 110.881 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -105.56 82.0 1.75 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 74.52 111.139 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 1.391 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . -50.9 -62.81 1.38 Allowed 'General case' 0 CA--C 1.593 2.618 0 N-CA-C 107.536 -1.283 . . . . 63.42 107.536 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 75.33 110.9 -178.824 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.781 0.324 . . . . 70.42 111.143 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 1.391 ' SG ' ' CB ' ' A' ' 14' ' ' ALA . 22.3 t -60.32 150.59 30.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 63.15 110.872 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -95.67 -35.81 5.53 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.743 -0.742 . . . . 73.1 112.508 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' DBB . . . . . 1.697 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -52.55 -92.92 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 CA-C-O 123.497 1.61 . . . . 70.12 112.46 -177.407 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' IAS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.486 -0.246 . . . . 70.1 112.486 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 1.697 ' SG ' ' HB3' ' A' ' 4' ' ' DBB . 1.1 t -87.95 155.55 19.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.859 0.361 . . . . 73.24 110.876 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.25 165.33 25.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 64.31 111.048 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.37 -176.35 2.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.452 0.644 . . . . 74.3 110.885 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' DBB . . . . . 1.704 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 1.616 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 7.6 m -77.63 58.69 1.84 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 118.567 0.621 . . . . 73.01 110.884 -177.462 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -127.92 -35.69 2.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 21.22 111.119 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 1.391 ' CB ' ' SG ' ' A' ' 2' ' ' CYS . . . -168.85 -41.2 0.02 OUTLIER 'General case' 0 CA--C 1.594 2.647 0 N-CA-C 107.556 -1.275 . . . . 71.12 107.556 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 48.1 t -71.76 -73.64 0.18 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 65.34 110.877 -178.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 1.704 ' SG ' ' HB3' ' A' ' 11' ' ' DBB . 7.3 m -75.35 156.27 35.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 63.11 110.904 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -112.12 83.14 1.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 64.13 111.094 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 1.616 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . -81.75 -44.31 17.2 Favored 'General case' 0 CA--C 1.594 2.646 0 N-CA-C 107.613 -1.255 . . . . 64.32 107.613 179.759 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.4 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 50.41 110.868 -178.834 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.786 0.327 . . . . 65.22 111.117 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 1.392 ' SG ' ' HB1' ' A' ' 14' ' ' ALA . 14.8 t -101.35 154.71 18.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 63.13 110.897 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -111.92 -26.28 4.47 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.744 -0.741 . . . . 74.32 112.507 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' DBB . . . . . 1.725 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -52.64 -92.74 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 CA-C-O 123.48 1.6 . . . . 63.21 112.478 -177.458 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' IAS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.486 -0.245 . . . . 64.13 112.486 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 1.725 ' SG ' ' HB3' ' A' ' 4' ' ' DBB . 1.6 t -92.1 142.86 27.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.352 . . . . 74.23 110.872 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.27 167.58 6.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 34.1 111.083 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.1 mmtt -113.84 -174.55 2.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.407 0.623 . . . . 73.01 110.912 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' DBB . . . . . 1.661 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 1.623 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 10.0 m -77.59 58.73 1.83 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 118.512 0.597 . . . . 70.35 110.909 -177.47 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -129.89 -35.92 1.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 61.14 111.05 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 1.392 ' HB1' ' SG ' ' A' ' 2' ' ' CYS . . . -166.91 -42.47 0.02 OUTLIER 'General case' 0 CA--C 1.593 2.621 0 N-CA-C 107.524 -1.287 . . . . 63.42 107.524 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.1 t -71.26 -74.24 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 61.1 110.83 -178.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 1.661 ' SG ' ' HB3' ' A' ' 11' ' ' DBB . 6.6 m -75.89 153.81 36.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 70.11 110.885 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -110.22 82.96 1.68 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 64.24 111.116 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 1.623 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . -82.17 -37.89 25.48 Favored 'General case' 0 CA--C 1.593 2.626 0 N-CA-C 107.562 -1.273 . . . . 70.33 107.562 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.2 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 32.24 110.856 -178.786 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.876 0.369 . . . . 64.32 111.104 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 1.528 ' SG ' ' HB1' ' A' ' 14' ' ' ALA . 16.9 p -67.48 -24.54 65.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 73.44 110.863 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 119.32 -48.89 0.91 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.77 -0.728 . . . . 40.21 112.492 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' DBB . . . . . 1.747 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 105.33 -116.61 5.29 Favored Glycine 0 N--CA 1.452 -0.285 0 CA-C-O 123.477 1.598 . . . . 72.13 112.47 -177.433 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' IAS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.426 -0.27 . . . . 72.15 112.426 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 1.747 ' SG ' ' HB3' ' A' ' 4' ' ' DBB . 4.9 t -51.91 158.72 0.98 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.832 0.349 . . . . 55.4 110.897 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -85.83 156.12 20.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 52.14 111.117 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.7 mtmt -108.01 -170.29 1.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.383 0.611 . . . . 72.14 110.883 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' DBB . . . . . 1.731 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 1.565 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 6.6 m -77.38 58.55 1.7 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 118.518 0.599 . . . . 63.11 110.85 -177.442 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -131.29 -35.69 1.33 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 70.04 111.1 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 1.528 ' HB1' ' SG ' ' A' ' 2' ' ' CYS . . . -165.18 -46.83 0.03 OUTLIER 'General case' 0 CA--C 1.594 2.641 0 N-CA-C 107.537 -1.282 . . . . 70.11 107.537 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.1 t -67.9 -73.07 0.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 72.15 110.896 -178.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 1.731 ' SG ' ' HB3' ' A' ' 11' ' ' DBB . 4.8 m -78.11 155.96 30.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.073 -0.512 . . . . 61.42 110.918 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.69 83.64 1.89 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 71.24 111.096 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 1.565 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . -84.27 108.73 17.3 Favored 'General case' 0 CA--C 1.593 2.619 0 N-CA-C 107.562 -1.273 . . . . 54.13 107.562 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 54.3 p . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 64.35 110.886 -178.837 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.859 0.362 . . . . 51.13 111.087 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 1.404 ' SG ' ' CB ' ' A' ' 14' ' ' ALA . 0.5 OUTLIER -64.71 162.04 16.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 75.23 110.885 -179.918 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -178.53 58.61 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.735 . . . . 63.21 112.553 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' DBB . . . . . 1.662 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -51.28 -91.2 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 CA-C-O 123.432 1.574 . . . . 44.55 112.51 -177.44 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' IAS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.49 -0.244 . . . . 74.33 112.49 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 1.662 ' SG ' ' HB3' ' A' ' 4' ' ' DBB . 4.4 t -89.37 135.79 33.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.873 0.368 . . . . 73.12 110.903 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.488 ' HB3' ' CB ' ' A' ' 13' ' ' ALA . . . -90.21 -179.65 5.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 64.01 111.132 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.4 ttmm -114.44 170.69 8.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.404 0.621 . . . . 74.13 110.915 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' DBB . . . . . 1.734 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 1.637 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 6.4 m -77.31 58.85 1.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 118.546 0.612 . . . . 75.03 110.821 -177.389 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.488 ' CB ' ' HB3' ' A' ' 9' ' ' ALA . . . -128.11 -35.95 1.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 53.41 111.102 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 1.404 ' CB ' ' SG ' ' A' ' 2' ' ' CYS . . . -170.09 -49.2 0.02 OUTLIER 'General case' 0 CA--C 1.593 2.631 0 N-CA-C 107.555 -1.276 . . . . 61.15 107.555 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 60.4 p -62.8 -65.98 0.61 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 53.34 110.85 -178.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 1.734 ' SG ' ' HB3' ' A' ' 11' ' ' DBB . 4.3 m -85.04 159.82 20.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 70.21 110.86 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -116.78 83.74 2.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 63.05 111.116 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 1.637 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . -77.72 -44.54 27.51 Favored 'General case' 0 CA--C 1.593 2.633 0 N-CA-C 107.607 -1.257 . . . . 44.21 107.607 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.6 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 64.43 110.836 -178.849 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.846 0.355 . . . . 32.32 111.123 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 1.404 ' SG ' ' CB ' ' A' ' 14' ' ' ALA . 7.1 m -105.4 -54.93 2.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 62.22 110.921 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 106.92 14.1 19.99 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.724 -0.751 . . . . 64.45 112.492 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' DBB . . . . . 1.665 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 112.17 -59.64 0.36 Allowed Glycine 0 N--CA 1.45 -0.369 0 CA-C-O 123.523 1.624 . . . . 63.32 112.539 -177.42 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' IAS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.478 -0.249 . . . . 72.23 112.478 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 1.665 ' SG ' ' HB3' ' A' ' 4' ' ' DBB . 29.3 t -85.3 121.65 28.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.817 0.341 . . . . 62.21 110.936 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.8 164.2 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 74.54 111.115 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.8 ttpt -110.27 172.5 6.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.454 0.645 . . . . 74.14 110.877 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' DBB . . . . . 1.705 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 1.616 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 7.8 m -77.41 58.41 1.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 118.558 0.617 . . . . 75.41 110.865 -177.442 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.46 -35.39 1.96 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 70.02 111.108 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 1.404 ' CB ' ' SG ' ' A' ' 2' ' ' CYS . . . -169.03 -40.79 0.02 OUTLIER 'General case' 0 CA--C 1.594 2.637 0 N-CA-C 107.507 -1.294 . . . . 74.23 107.507 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.2 t -71.98 -74.27 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 55.2 110.875 -178.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 1.705 ' SG ' ' HB3' ' A' ' 11' ' ' DBB . 8.9 m -74.55 159.72 31.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 73.24 110.9 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -114.87 83.19 1.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 54.45 111.074 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 1.616 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . -83.45 -40.56 19.11 Favored 'General case' 0 CA--C 1.593 2.628 0 N-CA-C 107.582 -1.266 . . . . 64.23 107.582 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 37.3 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 54.43 110.843 -178.783 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.809 0.338 . . . . 53.31 111.126 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 1.385 ' SG ' ' CB ' ' A' ' 14' ' ' ALA . 7.5 t -153.89 130.77 10.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 62.22 110.906 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.31 -25.77 49.12 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.719 -0.753 . . . . 54.14 112.538 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' DBB . . . . . 1.72 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -52.33 -92.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 CA-C-O 123.472 1.596 . . . . 71.41 112.531 -177.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' IAS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.485 -0.246 . . . . 65.1 112.485 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 1.72 ' SG ' ' HB3' ' A' ' 4' ' ' DBB . 0.9 OUTLIER -85.86 167.07 15.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.784 0.326 . . . . 71.41 110.937 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.74 153.95 19.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 73.02 111.095 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.5 pttm -104.86 -174.23 2.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.401 0.619 . . . . 75.3 110.884 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' DBB . . . . . 1.666 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 1.593 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 5.1 m -78.09 58.27 1.97 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 118.54 0.609 . . . . 74.22 110.904 -177.442 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.79 -35.68 1.87 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 61.13 111.094 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 1.385 ' CB ' ' SG ' ' A' ' 2' ' ' CYS . . . -168.09 -41.37 0.02 OUTLIER 'General case' 0 CA--C 1.594 2.636 0 N-CA-C 107.583 -1.266 . . . . 54.13 107.583 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 43.3 t -71.51 -74.31 0.16 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 54.52 110.883 -178.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 1.666 ' SG ' ' HB3' ' A' ' 11' ' ' DBB . 8.4 m -75.11 162.52 28.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.121 -0.49 . . . . 70.42 110.884 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -117.86 83.98 2.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 72.14 111.104 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 1.593 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . -85.8 108.88 18.31 Favored 'General case' 0 CA--C 1.593 2.631 0 N-CA-C 107.565 -1.272 . . . . 71.55 107.565 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.2 p . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 75.4 110.904 -178.836 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.806 0.336 . . . . 73.24 111.107 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 1.4 ' SG ' ' CB ' ' A' ' 14' ' ' ALA . 1.7 t -94.32 155.24 17.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 52.41 110.869 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -92.24 -19.34 39.28 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.743 -0.741 . . . . 61.21 112.472 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' DBB . . . . . 1.698 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -59.45 -102.94 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 CA-C-O 123.487 1.604 . . . . 72.21 112.507 -177.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' IAS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.491 -0.244 . . . . 54.0 112.491 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 1.698 ' SG ' ' HB3' ' A' ' 4' ' ' DBB . 4.2 t -52.23 161.73 0.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.869 0.366 . . . . 73.05 110.84 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.4 ' HB1' ' HB3' ' A' ' 13' ' ' ALA . . . -55.42 159.4 2.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 71.11 111.1 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.59 173.18 6.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.422 0.63 . . . . 72.43 110.918 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' DBB . . . . . 1.725 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 1.385 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 34.4 t -77.57 59.42 1.94 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 118.559 0.618 . . . . 64.13 110.866 -177.427 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.4 ' HB3' ' HB1' ' A' ' 9' ' ' ALA . . . -128.22 -36.33 1.94 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 72.43 111.146 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 1.4 ' CB ' ' SG ' ' A' ' 2' ' ' CYS . . . -171.01 -40.7 0.02 OUTLIER 'General case' 0 CA--C 1.593 2.619 0 N-CA-C 107.558 -1.275 . . . . 71.31 107.558 179.761 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.6 m -70.17 -70.72 0.28 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 75.12 110.831 -178.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 1.725 ' SG ' ' HB3' ' A' ' 11' ' ' DBB . 8.5 m -78.72 152.43 31.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 61.11 110.889 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -103.87 81.87 1.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 73.11 111.081 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 1.385 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . -50.71 103.74 0.06 Allowed 'General case' 0 CA--C 1.593 2.629 0 N-CA-C 107.551 -1.277 . . . . 75.21 107.551 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 72.15 110.851 -178.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.773 0.32 . . . . 74.31 111.096 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 1.533 ' SG ' ' HB2' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -118.68 154.2 33.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.252 -0.431 . . . . 73.11 110.902 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 178.63 46.37 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.727 -0.749 . . . . 45.3 112.477 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' DBB . . . . . 1.651 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -54.58 -78.33 0.12 Allowed Glycine 0 N--CA 1.452 -0.295 0 CA-C-O 123.464 1.591 . . . . 73.12 112.467 -177.464 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' IAS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.456 -0.257 . . . . 73.04 112.456 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 1.651 ' SG ' ' HB3' ' A' ' 4' ' ' DBB . 7.4 t -51.87 149.3 4.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.805 0.336 . . . . 60.43 110.886 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.68 141.92 58.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.443 . . . . 73.01 111.121 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.76 161.01 14.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.384 0.612 . . . . 71.44 110.886 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' DBB . . . . . 1.744 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 1.391 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 37.4 t -66.0 98.12 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 118.549 0.613 . . . . 72.42 110.845 -177.394 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -176.81 -37.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 60.12 111.08 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 1.533 ' HB2' ' SG ' ' A' ' 2' ' ' CYS . . . -163.14 -64.01 0.04 OUTLIER 'General case' 0 CA--C 1.594 2.642 0 N-CA-C 107.545 -1.279 . . . . 74.43 107.545 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 55.1 p -54.97 -64.77 0.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 74.23 110.842 -178.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 1.744 ' SG ' ' HB3' ' A' ' 11' ' ' DBB . 7.9 m -87.5 150.2 23.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 73.34 110.902 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -105.24 82.75 1.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 4.23 111.099 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 1.391 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . -50.42 103.92 0.06 Allowed 'General case' 0 CA--C 1.594 2.649 0 N-CA-C 107.569 -1.271 . . . . 54.01 107.569 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.0 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 54.32 110.84 -178.781 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.802 0.334 . . . . 70.3 111.128 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 1.395 ' SG ' ' CB ' ' A' ' 14' ' ' ALA . 4.7 t -116.38 144.88 43.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 74.13 110.884 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -70.11 -44.49 60.4 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.742 -0.742 . . . . 70.14 112.477 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' DBB . . . . . 1.669 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -50.28 -89.37 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 CA-C-O 123.512 1.618 . . . . 73.23 112.497 -177.478 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' IAS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.474 -0.25 . . . . 23.21 112.474 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 1.669 ' SG ' ' HB3' ' A' ' 4' ' ' DBB . 7.6 t -78.15 157.31 29.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.822 0.344 . . . . 74.3 110.848 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.527 ' HB1' ' CB ' ' A' ' 13' ' ' ALA . . . -54.24 125.43 19.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 33.32 111.112 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 44.8 pttt -87.74 169.96 11.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.403 0.62 . . . . 63.25 110.883 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' DBB . . . . . 1.673 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 1.54 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 5.5 m -77.53 58.6 1.77 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 118.542 0.61 . . . . 61.13 110.852 -177.462 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.527 ' CB ' ' HB1' ' A' ' 9' ' ' ALA . . . -129.79 -35.63 1.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 74.33 111.066 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 1.395 ' CB ' ' SG ' ' A' ' 2' ' ' CYS . . . -167.35 -41.64 0.02 OUTLIER 'General case' 0 CA--C 1.593 2.617 0 N-CA-C 107.523 -1.288 . . . . 71.25 107.523 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.2 m -71.96 -74.76 0.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 75.24 110.85 -178.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 1.673 ' SG ' ' HB3' ' A' ' 11' ' ' DBB . 8.3 m -74.59 160.85 30.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 63.14 110.919 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -116.61 83.85 2.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 72.0 111.071 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 1.54 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . -86.29 108.8 18.57 Favored 'General case' 0 CA--C 1.594 2.635 0 N-CA-C 107.553 -1.277 . . . . 51.01 107.553 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.5 p . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 75.31 110.869 -178.816 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.851 0.357 . . . . 53.53 111.162 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 1.396 ' SG ' ' CB ' ' A' ' 14' ' ' ALA . 2.4 t -53.22 126.22 20.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 74.31 110.854 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -65.02 -19.84 66.22 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 40.3 112.494 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' DBB . . . . . 1.703 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -52.32 -92.31 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 CA-C-O 123.448 1.582 . . . . 71.02 112.486 -177.457 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' IAS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.475 -0.25 . . . . 35.45 112.475 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 1.703 ' SG ' ' HB3' ' A' ' 4' ' ' DBB . 1.6 t -90.86 166.86 12.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.86 0.362 . . . . 64.32 110.861 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.63 153.77 41.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 72.05 111.077 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.2 mtmt -108.17 156.1 19.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.357 0.599 . . . . 74.1 110.874 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' DBB . . . . . 1.688 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 1.557 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 5.3 m -77.55 58.48 1.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 118.56 0.618 . . . . 62.51 110.87 -177.399 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -129.86 -35.81 1.63 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 71.42 111.094 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 1.396 ' CB ' ' SG ' ' A' ' 2' ' ' CYS . . . -165.81 -49.45 0.03 OUTLIER 'General case' 0 CA--C 1.594 2.641 0 N-CA-C 107.581 -1.266 . . . . 73.43 107.581 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 43.3 p -65.17 -70.7 0.22 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 70.44 110.849 -178.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 1.688 ' SG ' ' HB3' ' A' ' 11' ' ' DBB . 4.0 m -80.72 155.43 26.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.483 . . . . 35.33 110.903 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -114.05 84.17 1.99 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 54.23 111.131 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 1.557 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . -82.52 109.42 16.71 Favored 'General case' 0 CA--C 1.594 2.648 0 N-CA-C 107.58 -1.267 . . . . 73.31 107.58 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 81.8 p . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 71.41 110.828 -178.773 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.84 0.352 . . . . 60.22 111.156 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 1.613 ' SG ' ' HB1' ' A' ' 14' ' ' ALA . 15.9 p -101.04 -168.66 1.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 70.44 110.888 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -100.71 -37.45 3.7 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.736 -0.745 . . . . 71.32 112.474 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' DBB . . . . . 1.644 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 102.7 -115.42 5.19 Favored Glycine 0 N--CA 1.452 -0.3 0 CA-C-O 123.483 1.601 . . . . 43.51 112.483 -177.472 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' IAS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.481 -0.247 . . . . 71.33 112.481 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 1.644 ' SG ' ' HB3' ' A' ' 4' ' ' DBB . 5.0 t -51.66 159.77 0.73 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.86 0.362 . . . . 34.41 110.893 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -86.06 152.12 23.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 64.13 111.103 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.0 mtpt -106.14 -171.26 1.87 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.394 0.616 . . . . 72.44 110.91 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' DBB . . . . . 1.778 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 1.414 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 34.9 t -78.79 58.06 2.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 118.524 0.602 . . . . 62.53 110.883 -177.451 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -133.68 -35.66 0.98 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 53.33 111.088 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 1.613 ' HB1' ' SG ' ' A' ' 2' ' ' CYS . . . -169.85 -55.21 0.02 OUTLIER 'General case' 0 CA--C 1.594 2.653 0 N-CA-C 107.543 -1.28 . . . . 62.02 107.543 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.6 t -54.76 -59.66 4.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 60.3 110.841 -178.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 1.778 ' SG ' ' HB3' ' A' ' 11' ' ' DBB . 4.6 m -96.18 158.45 15.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 72.32 110.837 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -110.99 83.28 1.73 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 50.41 111.105 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 1.414 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . -50.64 104.18 0.07 Allowed 'General case' 0 CA--C 1.593 2.634 0 N-CA-C 107.561 -1.274 . . . . 64.1 107.561 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.9 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 74.0 110.855 -178.802 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.778 0.323 . . . . 74.21 111.1 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 1.405 ' SG ' ' CB ' ' A' ' 14' ' ' ALA . 16.7 p -98.15 -25.34 14.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 75.43 110.867 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 150.07 -27.15 1.14 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 71.23 112.487 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' DBB . . . . . 1.77 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -56.46 -88.25 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 CA-C-O 123.45 1.583 . . . . 30.33 112.483 -177.416 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' IAS . . . . . 0.626 ' HXT' ' N ' ' A' ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.626 ' N ' ' HXT' ' A' ' 6' ' ' IAS . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.434 -0.266 . . . . 64.31 112.434 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 1.77 ' SG ' ' HB3' ' A' ' 4' ' ' DBB . 1.6 t -82.54 140.5 33.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.835 0.35 . . . . 74.24 110.877 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.42 ' HB1' ' CB ' ' A' ' 13' ' ' ALA . . . -53.81 135.93 40.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 72.14 111.138 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -91.12 179.57 5.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.402 0.62 . . . . 74.12 110.859 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' DBB . . . . . 1.683 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 1.613 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 10.7 m -77.4 58.53 1.7 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 118.529 0.604 . . . . 71.41 110.869 -177.405 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.42 ' CB ' ' HB1' ' A' ' 9' ' ' ALA . . . -130.13 -35.79 1.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 75.23 111.052 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 1.405 ' CB ' ' SG ' ' A' ' 2' ' ' CYS . . . -166.57 -43.01 0.02 OUTLIER 'General case' 0 CA--C 1.594 2.637 0 N-CA-C 107.555 -1.276 . . . . 71.31 107.555 179.801 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.8 m -70.92 -74.35 0.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 71.22 110.85 -178.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 1.683 ' SG ' ' HB3' ' A' ' 11' ' ' DBB . 6.8 m -75.69 153.85 36.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 75.35 110.876 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -110.4 82.86 1.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 73.43 111.113 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 1.613 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . -82.56 -49.3 10.02 Favored 'General case' 0 CA--C 1.593 2.628 0 N-CA-C 107.584 -1.265 . . . . 54.34 107.584 179.772 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.9 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 75.33 110.842 -178.848 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.846 0.355 . . . . 63.1 111.114 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 1.392 ' SG ' ' CB ' ' A' ' 14' ' ' ALA . 4.5 t -155.69 154.23 31.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 70.13 110.901 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -105.98 -31.39 4.16 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.742 -0.742 . . . . 52.52 112.501 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' DBB . . . . . 1.72 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -53.22 -93.63 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 CA-C-O 123.521 1.623 . . . . 44.12 112.497 -177.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' IAS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.501 -0.24 . . . . 72.33 112.501 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 1.72 ' SG ' ' HB3' ' A' ' 4' ' ' DBB . 0.5 OUTLIER -80.94 173.66 12.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.789 0.328 . . . . 65.52 110.897 -179.866 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -99.17 162.34 13.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 44.34 111.112 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.22 174.07 6.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.383 0.611 . . . . 63.4 110.883 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' DBB . . . . . 1.705 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 1.675 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 6.8 m -76.94 59.57 1.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 118.535 0.607 . . . . 73.25 110.922 -177.462 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -127.83 -36.19 2.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 62.34 111.108 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 1.392 ' CB ' ' SG ' ' A' ' 2' ' ' CYS . . . -168.27 -44.75 0.02 OUTLIER 'General case' 0 CA--C 1.594 2.636 0 N-CA-C 107.546 -1.279 . . . . 74.21 107.546 179.749 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.7 p -68.76 -71.26 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 75.22 110.836 -178.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 1.705 ' SG ' ' HB3' ' A' ' 11' ' ' DBB . 4.9 m -77.97 153.13 32.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 55.53 110.861 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -110.7 82.96 1.68 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 72.1 111.091 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 1.675 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . -78.82 -46.2 19.22 Favored 'General case' 0 CA--C 1.593 2.632 0 N-CA-C 107.592 -1.262 . . . . 61.2 107.592 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.8 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 53.42 110.838 -178.813 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.792 0.33 . . . . 63.23 111.061 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 1.407 ' SG ' ' CB ' ' A' ' 14' ' ' ALA . 1.4 m -52.19 -74.96 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 70.01 110.833 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 113.7 18.92 6.73 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.769 -0.729 . . . . 63.53 112.494 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' DBB . . . . . 1.704 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -51.65 -91.49 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 CA-C-O 123.463 1.591 . . . . 73.24 112.512 -177.488 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' IAS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.529 -0.229 . . . . 72.11 112.529 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 1.704 ' SG ' ' HB3' ' A' ' 4' ' ' DBB . 2.8 t -88.1 113.34 23.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.839 0.352 . . . . 73.03 110.868 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.66 159.91 2.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 71.05 111.116 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.89 155.85 21.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.411 0.624 . . . . 74.01 110.906 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' DBB . . . . . 1.65 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 1.601 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 5.5 m -77.54 58.31 1.73 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 118.56 0.618 . . . . 61.34 110.91 -177.425 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -130.82 -35.74 1.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 60.14 111.116 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 1.407 ' CB ' ' SG ' ' A' ' 2' ' ' CYS . . . -164.46 -52.26 0.03 OUTLIER 'General case' 0 CA--C 1.594 2.644 0 N-CA-C 107.603 -1.258 . . . . 72.51 107.603 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.2 p -63.26 -69.7 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 73.3 110.851 -178.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 1.65 ' SG ' ' HB3' ' A' ' 11' ' ' DBB . 3.7 m -82.75 152.35 25.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.117 -0.492 . . . . 73.3 110.848 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -112.25 84.0 1.89 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 64.23 111.07 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 1.601 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . -81.89 106.44 13.81 Favored 'General case' 0 CA--C 1.593 2.625 0 N-CA-C 107.542 -1.281 . . . . 60.25 107.542 179.788 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.3 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 72.31 110.857 -178.815 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.862 0.363 . . . . 60.34 111.078 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 1.406 ' SG ' ' CB ' ' A' ' 14' ' ' ALA . 8.9 t -63.17 153.8 33.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 72.4 110.924 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -73.01 -29.14 65.28 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.747 -0.74 . . . . 74.22 112.553 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' DBB . . . . . 1.67 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -51.91 -73.99 0.34 Allowed Glycine 0 N--CA 1.452 -0.273 0 CA-C-O 123.469 1.594 . . . . 72.23 112.478 -177.449 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' IAS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.479 -0.248 . . . . 73.02 112.479 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 1.67 ' SG ' ' HB3' ' A' ' 4' ' ' DBB . 2.4 t -57.84 164.45 2.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.871 0.367 . . . . 74.15 110.902 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.533 ' HB1' ' CB ' ' A' ' 13' ' ' ALA . . . -51.36 154.3 1.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 65.54 111.065 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.429 ' HB3' ' H1 ' ' A' ' 11' ' ' DBB . 21.0 mttp -112.67 172.93 6.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.396 0.617 . . . . 73.33 110.856 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' DBB . . . . . 1.661 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 1.732 ' SG ' ' HB3' ' A' ' 18' ' ' ALA . 8.7 t -79.77 57.13 2.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 118.548 0.613 . . . . 74.14 110.853 -177.415 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.533 ' CB ' ' HB1' ' A' ' 9' ' ' ALA . . . -127.23 -35.67 2.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 61.14 111.107 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 1.406 ' CB ' ' SG ' ' A' ' 2' ' ' CYS . . . -173.1 -42.19 0.01 OUTLIER 'General case' 0 CA--C 1.594 2.64 0 N-CA-C 107.564 -1.272 . . . . 52.41 107.564 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.7 t -66.41 -68.3 0.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 52.25 110.85 -178.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 1.661 ' SG ' ' HB3' ' A' ' 11' ' ' DBB . 11.8 m -82.23 120.43 25.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 61.14 110.891 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.8 77.48 1.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 75.2 111.104 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 1.732 ' HB3' ' SG ' ' A' ' 12' ' ' CYS . . . -76.35 -41.4 48.39 Favored 'General case' 0 CA--C 1.593 2.619 0 N-CA-C 107.545 -1.28 . . . . 64.0 107.545 179.767 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.1 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 53.45 110.836 -178.751 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.847 0.356 . . . . 74.55 111.098 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 1.489 ' SG ' ' HB2' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -153.9 133.57 12.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 72.24 110.864 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -151.37 22.12 0.95 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.739 . . . . 55.53 112.42 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' DBB . . . . . 1.697 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 89.9 119.58 1.95 Allowed Glycine 0 N--CA 1.45 -0.375 0 CA-C-O 123.477 1.598 . . . . 73.42 112.534 -177.412 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' IAS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.468 -0.253 . . . . 64.32 112.468 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 1.697 ' SG ' ' HB3' ' A' ' 4' ' ' DBB . 8.8 t -137.49 140.72 41.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.796 0.332 . . . . 73.54 110.89 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.44 -175.04 4.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 73.53 111.083 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.414 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 0.3 OUTLIER -109.69 176.19 5.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.353 0.597 . . . . 62.32 110.919 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' DBB . . . . . 1.703 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 1.68 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 88.3 m -64.12 -12.36 38.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 118.54 0.609 . . . . 55.31 110.932 -177.435 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 10' ' ' LYS . . . -46.67 -41.36 14.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 64.31 111.126 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 1.489 ' HB2' ' SG ' ' A' ' 2' ' ' CYS . . . -175.68 -51.36 0.01 OUTLIER 'General case' 0 CA--C 1.594 2.637 0 N-CA-C 107.551 -1.278 . . . . 75.21 107.551 179.765 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.2 t -48.84 -75.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 73.53 110.887 -178.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 1.703 ' SG ' ' HB3' ' A' ' 11' ' ' DBB . 18.6 m -68.73 128.46 36.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 74.53 110.948 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.5 73.17 3.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 34.44 111.14 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 1.68 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . -61.31 -39.33 90.09 Favored 'General case' 0 CA--C 1.593 2.61 0 N-CA-C 107.54 -1.282 . . . . 60.05 107.54 179.788 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 72.5 110.883 -178.82 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.859 0.361 . . . . 60.12 111.093 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 1.396 ' SG ' ' CB ' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -91.41 95.31 9.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 71.12 110.876 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -72.47 -25.56 73.96 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.732 -0.746 . . . . 35.31 112.528 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' DBB . . . . . 1.686 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -179.9 44.7 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 CA-C-O 123.528 1.626 . . . . 63.23 112.5 -177.484 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' IAS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.457 -0.257 . . . . 44.11 112.457 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 1.686 ' SG ' ' HB3' ' A' ' 4' ' ' DBB . 35.7 m -64.4 119.22 9.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.838 0.352 . . . . 74.02 110.884 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.549 ' HB3' ' CB ' ' A' ' 13' ' ' ALA . . . -67.74 171.73 6.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 63.22 111.091 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -95.58 -178.48 4.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.362 0.601 . . . . 62.31 110.888 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' DBB . . . . . 1.754 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 1.456 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 3.2 t -77.57 58.81 1.83 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 118.5 0.591 . . . . 73.23 110.884 -177.462 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.549 ' CB ' ' HB3' ' A' ' 9' ' ' ALA . . . -127.56 -35.79 2.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 54.04 111.122 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 1.396 ' CB ' ' SG ' ' A' ' 2' ' ' CYS . . . -170.45 -40.52 0.02 OUTLIER 'General case' 0 CA--C 1.593 2.613 0 N-CA-C 107.59 -1.263 . . . . 73.01 107.59 179.762 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.8 m -71.21 -72.32 0.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 71.02 110.858 -178.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 1.754 ' SG ' ' HB3' ' A' ' 11' ' ' DBB . 8.5 m -76.59 161.72 28.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 72.2 110.903 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -99.93 4.65 45.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 73.04 111.106 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 1.456 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . 52.43 90.31 0.03 OUTLIER 'General case' 0 CA--C 1.593 2.627 0 N-CA-C 107.604 -1.258 . . . . 72.44 107.604 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.6 p . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 62.31 110.847 -178.784 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.843 0.354 . . . . 73.22 111.106 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 1.402 ' SG ' ' CB ' ' A' ' 14' ' ' ALA . 0.9 OUTLIER 61.44 37.69 16.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 62.14 110.899 -179.912 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -81.62 57.43 4.91 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.777 -0.725 . . . . 23.22 112.459 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' DBB . . . . . 1.658 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 125.87 -111.37 1.45 Allowed Glycine 0 N--CA 1.451 -0.316 0 CA-C-O 123.471 1.595 . . . . 32.11 112.495 -177.47 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' IAS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.43 -0.268 . . . . 71.14 112.43 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 1.658 ' SG ' ' HB3' ' A' ' 4' ' ' DBB . 46.6 t -57.69 118.51 5.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.805 0.335 . . . . 63.34 110.884 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.522 ' HB3' ' CB ' ' A' ' 13' ' ' ALA . . . -78.07 -176.72 4.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 74.44 111.099 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.0 mmmt -113.98 175.43 5.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.397 0.618 . . . . 73.23 110.881 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' DBB . . . . . 1.735 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 1.393 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 81.3 m -77.45 59.27 1.85 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 118.569 0.622 . . . . 60.44 110.882 -177.434 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.522 ' CB ' ' HB3' ' A' ' 9' ' ' ALA . . . -129.09 -36.26 1.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 54.34 111.103 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 1.402 ' CB ' ' SG ' ' A' ' 2' ' ' CYS . . . -174.56 -44.3 0.01 OUTLIER 'General case' 0 CA--C 1.594 2.647 0 N-CA-C 107.594 -1.262 . . . . 74.5 107.594 179.789 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.3 t -63.69 -61.93 1.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 53.14 110.895 -178.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 1.735 ' SG ' ' HB3' ' A' ' 11' ' ' DBB . 9.6 m -89.28 134.22 34.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.493 . . . . 72.03 110.837 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.22 -61.77 2.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 60.11 111.086 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 1.393 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . 64.58 16.04 10.04 Favored 'General case' 0 CA--C 1.593 2.628 0 N-CA-C 107.595 -1.261 . . . . 74.23 107.595 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 74.51 110.891 -178.828 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.908 0.385 . . . . 61.53 111.069 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 72.1 mttt . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 121.416 0.626 . . . . 73.23 110.902 179.977 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 1.408 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 35.0 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.812 0.339 . . . . 51.33 110.89 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.81 -36.18 1.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 63.55 111.09 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -170.46 -40.79 0.02 OUTLIER 'General case' 0 CA--C 1.594 2.639 0 N-CA-C 107.557 -1.275 . . . . 54.34 107.557 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.0 t -70.58 -71.56 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 72.45 110.807 -178.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.4 m -78.0 150.52 33.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 63.42 110.872 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -102.36 81.61 2.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 70.22 111.131 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 1.408 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.594 2.672 0 N-CA-C 107.564 -1.273 . . . . 65.12 107.564 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.47 ' HB1' ' CB ' ' A' ' 13' ' ' ALA . . . . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.876 0.37 . . . . 73.54 111.113 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.4 tttm . . . . . 0 C--N 1.33 -0.281 0 CA-C-O 121.426 0.631 . . . . 65.13 110.868 179.972 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 1.391 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 34.6 t . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.811 0.338 . . . . 33.55 110.868 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.47 ' CB ' ' HB1' ' A' ' 9' ' ' ALA . . . -128.48 -36.27 1.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 60.1 111.1 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -171.42 -40.53 0.02 OUTLIER 'General case' 0 CA--C 1.593 2.62 0 N-CA-C 107.58 -1.267 . . . . 72.51 107.58 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.6 m -70.03 -70.2 0.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 71.4 110.88 -178.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 9.2 m -79.21 154.58 29.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 74.01 110.881 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -105.56 82.0 1.75 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 74.52 111.139 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 1.391 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.593 2.618 0 N-CA-C 107.536 -1.283 . . . . 63.42 107.536 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.878 0.371 . . . . 64.31 111.048 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 121.452 0.644 . . . . 74.3 110.885 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 1.616 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 7.6 m . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.844 0.354 . . . . 73.01 110.884 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -127.92 -35.69 2.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 21.22 111.119 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -168.85 -41.2 0.02 OUTLIER 'General case' 0 CA--C 1.594 2.647 0 N-CA-C 107.556 -1.275 . . . . 71.12 107.556 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 48.1 t -71.76 -73.64 0.18 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 65.34 110.877 -178.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.3 m -75.35 156.27 35.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 63.11 110.904 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -112.12 83.14 1.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 64.13 111.094 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 1.616 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.594 2.646 0 N-CA-C 107.613 -1.255 . . . . 64.32 107.613 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.853 0.358 . . . . 34.1 111.083 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.1 mmtt . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 121.407 0.623 . . . . 73.01 110.912 179.927 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 1.623 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 10.0 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.826 0.346 . . . . 70.35 110.909 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -129.89 -35.92 1.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 61.14 111.05 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -166.91 -42.47 0.02 OUTLIER 'General case' 0 CA--C 1.593 2.621 0 N-CA-C 107.524 -1.287 . . . . 63.42 107.524 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.1 t -71.26 -74.24 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 61.1 110.83 -178.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.6 m -75.89 153.81 36.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 70.11 110.885 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -110.22 82.96 1.68 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 64.24 111.116 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 1.623 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.593 2.626 0 N-CA-C 107.562 -1.273 . . . . 70.33 107.562 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.868 0.366 . . . . 52.14 111.117 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.7 mtmt . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.383 0.611 . . . . 72.14 110.883 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 1.565 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 6.6 m . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.82 0.343 . . . . 63.11 110.85 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -131.29 -35.69 1.33 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 70.04 111.1 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -165.18 -46.83 0.03 OUTLIER 'General case' 0 CA--C 1.594 2.641 0 N-CA-C 107.537 -1.282 . . . . 70.11 107.537 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.1 t -67.9 -73.07 0.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 72.15 110.896 -178.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.8 m -78.11 155.96 30.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.073 -0.512 . . . . 61.42 110.918 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.69 83.64 1.89 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 71.24 111.096 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 1.565 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.593 2.619 0 N-CA-C 107.562 -1.273 . . . . 54.13 107.562 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.488 ' HB3' ' CB ' ' A' ' 13' ' ' ALA . . . . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.845 0.355 . . . . 64.01 111.132 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.4 ttmm . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 121.404 0.621 . . . . 74.13 110.915 179.962 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 1.637 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 6.4 m . . . . . 0 CA--C 1.527 0.08 0 CA-C-O 120.83 0.348 . . . . 75.03 110.821 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.488 ' CB ' ' HB3' ' A' ' 9' ' ' ALA . . . -128.11 -35.95 1.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 53.41 111.102 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -170.09 -49.2 0.02 OUTLIER 'General case' 0 CA--C 1.593 2.631 0 N-CA-C 107.555 -1.276 . . . . 61.15 107.555 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 60.4 p -62.8 -65.98 0.61 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 53.34 110.85 -178.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.3 m -85.04 159.82 20.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 70.21 110.86 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -116.78 83.74 2.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 63.05 111.116 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 1.637 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.593 2.633 0 N-CA-C 107.607 -1.257 . . . . 44.21 107.607 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.805 0.336 . . . . 74.54 111.115 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.8 ttpt . . . . . 0 C--N 1.328 -0.336 0 CA-C-O 121.454 0.645 . . . . 74.14 110.877 179.959 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 1.616 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 7.8 m . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.806 0.336 . . . . 75.41 110.865 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.46 -35.39 1.96 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 70.02 111.108 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -169.03 -40.79 0.02 OUTLIER 'General case' 0 CA--C 1.594 2.637 0 N-CA-C 107.507 -1.294 . . . . 74.23 107.507 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.2 t -71.98 -74.27 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 55.2 110.875 -178.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.9 m -74.55 159.72 31.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 73.24 110.9 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -114.87 83.19 1.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 54.45 111.074 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 1.616 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.593 2.628 0 N-CA-C 107.582 -1.266 . . . . 64.23 107.582 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.856 0.36 . . . . 73.02 111.095 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.5 pttm . . . . . 0 C--N 1.329 -0.326 0 CA-C-O 121.401 0.619 . . . . 75.3 110.884 179.974 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 1.593 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 5.1 m . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.91 0.386 . . . . 74.22 110.904 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.79 -35.68 1.87 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 61.13 111.094 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -168.09 -41.37 0.02 OUTLIER 'General case' 0 CA--C 1.594 2.636 0 N-CA-C 107.583 -1.266 . . . . 54.13 107.583 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 43.3 t -71.51 -74.31 0.16 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 54.52 110.883 -178.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.4 m -75.11 162.52 28.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.121 -0.49 . . . . 70.42 110.884 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -117.86 83.98 2.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 72.14 111.104 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 1.593 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.593 2.631 0 N-CA-C 107.565 -1.272 . . . . 71.55 107.565 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.4 ' HB1' ' HB3' ' A' ' 13' ' ' ALA . . . . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.828 0.346 . . . . 71.11 111.1 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 121.422 0.63 . . . . 72.43 110.918 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 1.385 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 34.4 t . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.847 0.356 . . . . 64.13 110.866 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.4 ' HB3' ' HB1' ' A' ' 9' ' ' ALA . . . -128.22 -36.33 1.94 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 72.43 111.146 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -171.01 -40.7 0.02 OUTLIER 'General case' 0 CA--C 1.593 2.619 0 N-CA-C 107.558 -1.275 . . . . 71.31 107.558 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.6 m -70.17 -70.72 0.28 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 75.12 110.831 -178.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.5 m -78.72 152.43 31.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 61.11 110.889 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -103.87 81.87 1.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 73.11 111.081 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 1.385 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.593 2.629 0 N-CA-C 107.551 -1.277 . . . . 75.21 107.551 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.849 0.356 . . . . 73.01 111.121 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 121.384 0.612 . . . . 71.44 110.886 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 1.391 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 37.4 t . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.84 0.352 . . . . 72.42 110.845 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -176.81 -37.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 60.12 111.08 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -163.14 -64.01 0.04 OUTLIER 'General case' 0 CA--C 1.594 2.642 0 N-CA-C 107.545 -1.279 . . . . 74.43 107.545 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 55.1 p -54.97 -64.77 0.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 74.23 110.842 -178.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.9 m -87.5 150.2 23.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 73.34 110.902 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -105.24 82.75 1.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 4.23 111.099 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 1.391 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.594 2.649 0 N-CA-C 107.569 -1.271 . . . . 54.01 107.569 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.527 ' HB1' ' CB ' ' A' ' 13' ' ' ALA . . . . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.797 0.332 . . . . 33.32 111.112 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 44.8 pttt . . . . . 0 C--N 1.328 -0.346 0 CA-C-O 121.403 0.62 . . . . 63.25 110.883 179.974 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 1.54 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 5.5 m . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.822 0.344 . . . . 61.13 110.852 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.527 ' CB ' ' HB1' ' A' ' 9' ' ' ALA . . . -129.79 -35.63 1.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 74.33 111.066 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -167.35 -41.64 0.02 OUTLIER 'General case' 0 CA--C 1.593 2.617 0 N-CA-C 107.523 -1.288 . . . . 71.25 107.523 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.2 m -71.96 -74.76 0.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 75.24 110.85 -178.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.3 m -74.59 160.85 30.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 63.14 110.919 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -116.61 83.85 2.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 72.0 111.071 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 1.54 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.594 2.635 0 N-CA-C 107.553 -1.277 . . . . 51.01 107.553 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.89 0.376 . . . . 72.05 111.077 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.2 mtmt . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 121.357 0.599 . . . . 74.1 110.874 -179.99 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 1.557 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 5.3 m . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.802 0.334 . . . . 62.51 110.87 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -129.86 -35.81 1.63 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 71.42 111.094 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -165.81 -49.45 0.03 OUTLIER 'General case' 0 CA--C 1.594 2.641 0 N-CA-C 107.581 -1.266 . . . . 73.43 107.581 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 43.3 p -65.17 -70.7 0.22 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 70.44 110.849 -178.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.0 m -80.72 155.43 26.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.483 . . . . 35.33 110.903 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -114.05 84.17 1.99 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 54.23 111.131 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 1.557 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.594 2.648 0 N-CA-C 107.58 -1.267 . . . . 73.31 107.58 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.845 0.355 . . . . 64.13 111.103 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.0 mtpt . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 121.394 0.616 . . . . 72.44 110.91 179.967 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 1.414 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 34.9 t . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.815 0.34 . . . . 62.53 110.883 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -133.68 -35.66 0.98 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 53.33 111.088 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -169.85 -55.21 0.02 OUTLIER 'General case' 0 CA--C 1.594 2.653 0 N-CA-C 107.543 -1.28 . . . . 62.02 107.543 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.6 t -54.76 -59.66 4.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 60.3 110.841 -178.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.6 m -96.18 158.45 15.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 72.32 110.837 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -110.99 83.28 1.73 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 50.41 111.105 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 1.414 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.593 2.634 0 N-CA-C 107.561 -1.274 . . . . 64.1 107.561 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.42 ' HB1' ' CB ' ' A' ' 13' ' ' ALA . . . . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.856 0.36 . . . . 72.14 111.138 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 121.402 0.62 . . . . 74.12 110.859 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 1.613 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 10.7 m . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.812 0.339 . . . . 71.41 110.869 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.42 ' CB ' ' HB1' ' A' ' 9' ' ' ALA . . . -130.13 -35.79 1.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 75.23 111.052 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -166.57 -43.01 0.02 OUTLIER 'General case' 0 CA--C 1.594 2.637 0 N-CA-C 107.555 -1.276 . . . . 71.31 107.555 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.8 m -70.92 -74.35 0.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 71.22 110.85 -178.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.8 m -75.69 153.85 36.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 75.35 110.876 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -110.4 82.86 1.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 73.43 111.113 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 1.613 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.593 2.628 0 N-CA-C 107.584 -1.265 . . . . 54.34 107.584 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.846 0.355 . . . . 44.34 111.112 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 121.383 0.611 . . . . 63.4 110.883 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 1.675 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 6.8 m . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.814 0.34 . . . . 73.25 110.922 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -127.83 -36.19 2.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 62.34 111.108 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -168.27 -44.75 0.02 OUTLIER 'General case' 0 CA--C 1.594 2.636 0 N-CA-C 107.546 -1.279 . . . . 74.21 107.546 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.7 p -68.76 -71.26 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 75.22 110.836 -178.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.9 m -77.97 153.13 32.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 55.53 110.861 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -110.7 82.96 1.68 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 72.1 111.091 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 1.675 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.593 2.632 0 N-CA-C 107.592 -1.262 . . . . 61.2 107.592 179.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.817 0.341 . . . . 71.05 111.116 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 121.411 0.624 . . . . 74.01 110.906 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 1.601 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 5.5 m . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.84 0.352 . . . . 61.34 110.91 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -130.82 -35.74 1.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 60.14 111.116 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -164.46 -52.26 0.03 OUTLIER 'General case' 0 CA--C 1.594 2.644 0 N-CA-C 107.603 -1.258 . . . . 72.51 107.603 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.2 p -63.26 -69.7 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 73.3 110.851 -178.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.7 m -82.75 152.35 25.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.117 -0.492 . . . . 73.3 110.848 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -112.25 84.0 1.89 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 64.23 111.07 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 1.601 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.593 2.625 0 N-CA-C 107.542 -1.281 . . . . 60.25 107.542 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.533 ' HB1' ' CB ' ' A' ' 13' ' ' ALA . . . . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.86 0.362 . . . . 65.54 111.065 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.0 mttp . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 121.396 0.617 . . . . 73.33 110.856 179.964 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 1.732 ' SG ' ' HB3' ' A' ' 18' ' ' ALA . 8.7 t . . . . . 0 N--CA 1.458 -0.052 0 CA-C-O 120.831 0.348 . . . . 74.14 110.853 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.533 ' CB ' ' HB1' ' A' ' 9' ' ' ALA . . . -127.23 -35.67 2.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 61.14 111.107 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -173.1 -42.19 0.01 OUTLIER 'General case' 0 CA--C 1.594 2.64 0 N-CA-C 107.564 -1.272 . . . . 52.41 107.564 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.7 t -66.41 -68.3 0.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 52.25 110.85 -178.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 11.8 m -82.23 120.43 25.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 61.14 110.891 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.8 77.48 1.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 75.2 111.104 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 1.732 ' HB3' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.593 2.619 0 N-CA-C 107.545 -1.28 . . . . 64.0 107.545 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.907 0.384 . . . . 73.53 111.083 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.414 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 121.353 0.597 . . . . 62.32 110.919 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 1.68 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 88.3 m . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.872 0.368 . . . . 55.31 110.932 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 10' ' ' LYS . . . -46.67 -41.36 14.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 64.31 111.126 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -175.68 -51.36 0.01 OUTLIER 'General case' 0 CA--C 1.594 2.637 0 N-CA-C 107.551 -1.278 . . . . 75.21 107.551 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.2 t -48.84 -75.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 73.53 110.887 -178.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.6 m -68.73 128.46 36.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 74.53 110.948 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.5 73.17 3.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 34.44 111.14 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 1.68 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.593 2.61 0 N-CA-C 107.54 -1.282 . . . . 60.05 107.54 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.549 ' HB3' ' CB ' ' A' ' 13' ' ' ALA . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.854 0.359 . . . . 63.22 111.091 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 121.362 0.601 . . . . 62.31 110.888 179.947 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 1.456 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 3.2 t . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.835 0.35 . . . . 73.23 110.884 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.549 ' CB ' ' HB3' ' A' ' 9' ' ' ALA . . . -127.56 -35.79 2.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 54.04 111.122 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -170.45 -40.52 0.02 OUTLIER 'General case' 0 CA--C 1.593 2.613 0 N-CA-C 107.59 -1.263 . . . . 73.01 107.59 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.8 m -71.21 -72.32 0.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 71.02 110.858 -178.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.5 m -76.59 161.72 28.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 72.2 110.903 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -99.93 4.65 45.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 73.04 111.106 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 1.456 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.593 2.627 0 N-CA-C 107.604 -1.258 . . . . 72.44 107.604 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.522 ' HB3' ' CB ' ' A' ' 13' ' ' ALA . . . . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.909 0.385 . . . . 74.44 111.099 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.0 mmmt . . . . . 0 C--N 1.33 -0.272 0 CA-C-O 121.397 0.618 . . . . 73.23 110.881 179.994 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 1.393 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 81.3 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.889 0.376 . . . . 60.44 110.882 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.522 ' CB ' ' HB3' ' A' ' 9' ' ' ALA . . . -129.09 -36.26 1.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 54.34 111.103 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -174.56 -44.3 0.01 OUTLIER 'General case' 0 CA--C 1.594 2.647 0 N-CA-C 107.594 -1.262 . . . . 74.5 107.594 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.3 t -63.69 -61.93 1.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 53.14 110.895 -178.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 9.6 m -89.28 134.22 34.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.493 . . . . 72.03 110.837 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.22 -61.77 2.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 60.11 111.086 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 1.393 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . . . . . . 0 CA--C 1.593 2.628 0 N-CA-C 107.595 -1.261 . . . . 74.23 107.595 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.84 0.352 . . . . 71.14 111.138 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 1.402 ' SG ' ' CB ' ' A' ' 14' ' ' ALA . 0.8 OUTLIER -104.01 -74.88 0.63 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 75.15 110.862 -179.932 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 118.37 16.58 5.57 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.776 -0.726 . . . . 62.3 112.544 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' DBB . . . . . 1.679 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 111.55 -133.63 11.6 Favored Glycine 0 N--CA 1.451 -0.352 0 CA-C-O 123.491 1.606 . . . . 72.01 112.475 -177.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' IAS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.484 -0.246 . . . . 64.15 112.484 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 1.679 ' SG ' ' HB3' ' A' ' 4' ' ' DBB . 5.7 t -73.44 115.25 12.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.858 0.361 . . . . 74.23 110.879 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.74 162.76 20.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 61.53 111.069 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.434 ' HB3' ' H1 ' ' A' ' 11' ' ' DBB . 72.1 mttt -103.88 -177.84 3.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.416 0.626 . . . . 73.23 110.902 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' DBB . . . . . 1.688 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 1.408 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 35.0 t -77.49 59.66 1.95 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 118.533 0.606 . . . . 51.33 110.89 -177.44 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.81 -36.18 1.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 63.55 111.09 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 1.402 ' CB ' ' SG ' ' A' ' 2' ' ' CYS . . . -170.46 -40.79 0.02 OUTLIER 'General case' 0 CA--C 1.594 2.639 0 N-CA-C 107.557 -1.275 . . . . 54.34 107.557 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.0 t -70.58 -71.56 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 72.45 110.807 -178.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 1.688 ' SG ' ' HB3' ' A' ' 11' ' ' DBB . 8.4 m -78.0 150.52 33.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 63.42 110.872 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -102.36 81.61 2.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 70.22 111.131 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 1.408 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . -50.76 103.58 0.06 Allowed 'General case' 0 CA--C 1.594 2.672 0 N-CA-C 107.564 -1.273 . . . . 65.12 107.564 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 51.25 110.91 -178.855 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.82 0.343 . . . . 61.22 111.092 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 1.431 ' SG ' ' HB2' ' A' ' 14' ' ' ALA . 0.5 OUTLIER -91.45 129.71 37.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 72.34 110.885 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -53.85 -41.46 67.12 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.743 -0.741 . . . . 73.13 112.522 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' DBB . . . . . 1.707 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 109.22 -113.56 3.74 Favored Glycine 0 N--CA 1.451 -0.304 0 CA-C-O 123.537 1.632 . . . . 75.24 112.434 -177.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' IAS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.509 -0.236 . . . . 52.01 112.509 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 1.707 ' SG ' ' HB3' ' A' ' 4' ' ' DBB . 8.3 t -52.23 158.24 1.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.818 0.342 . . . . 51.41 110.883 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.47 ' HB1' ' CB ' ' A' ' 13' ' ' ALA . . . -54.37 153.9 5.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 73.54 111.113 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.468 ' HG2' ' H1 ' ' A' ' 11' ' ' DBB . 22.4 tttm -109.2 172.88 6.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.426 0.631 . . . . 65.13 110.868 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' DBB . . . . . 1.661 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 1.391 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 34.6 t -77.34 59.62 1.86 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 118.595 0.634 . . . . 33.55 110.868 -177.436 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.47 ' CB ' ' HB1' ' A' ' 9' ' ' ALA . . . -128.48 -36.27 1.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 60.1 111.1 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 1.431 ' HB2' ' SG ' ' A' ' 2' ' ' CYS . . . -171.42 -40.53 0.02 OUTLIER 'General case' 0 CA--C 1.593 2.62 0 N-CA-C 107.58 -1.267 . . . . 72.51 107.58 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.6 m -70.03 -70.2 0.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 71.4 110.88 -178.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 1.661 ' SG ' ' HB3' ' A' ' 11' ' ' DBB . 9.2 m -79.21 154.58 29.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 74.01 110.881 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -105.56 82.0 1.75 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 74.52 111.139 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 1.391 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . -50.9 -62.81 1.38 Allowed 'General case' 0 CA--C 1.593 2.618 0 N-CA-C 107.536 -1.283 . . . . 63.42 107.536 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 75.33 110.9 -178.824 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.781 0.324 . . . . 70.42 111.143 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 1.391 ' SG ' ' CB ' ' A' ' 14' ' ' ALA . 22.3 t -60.32 150.59 30.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 63.15 110.872 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -95.67 -35.81 5.53 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.743 -0.742 . . . . 73.1 112.508 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' DBB . . . . . 1.697 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -52.55 -92.92 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 CA-C-O 123.497 1.61 . . . . 70.12 112.46 -177.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' IAS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.486 -0.246 . . . . 70.1 112.486 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 1.697 ' SG ' ' HB3' ' A' ' 4' ' ' DBB . 1.1 t -87.95 155.55 19.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.859 0.361 . . . . 73.24 110.876 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.25 165.33 25.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 64.31 111.048 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.37 -176.35 2.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.452 0.644 . . . . 74.3 110.885 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' DBB . . . . . 1.704 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 1.616 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 7.6 m -77.63 58.69 1.84 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 118.567 0.621 . . . . 73.01 110.884 -177.462 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -127.92 -35.69 2.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 21.22 111.119 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 1.391 ' CB ' ' SG ' ' A' ' 2' ' ' CYS . . . -168.85 -41.2 0.02 OUTLIER 'General case' 0 CA--C 1.594 2.647 0 N-CA-C 107.556 -1.275 . . . . 71.12 107.556 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 48.1 t -71.76 -73.64 0.18 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 65.34 110.877 -178.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 1.704 ' SG ' ' HB3' ' A' ' 11' ' ' DBB . 7.3 m -75.35 156.27 35.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 63.11 110.904 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -112.12 83.14 1.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 64.13 111.094 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 1.616 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . -81.75 -44.31 17.2 Favored 'General case' 0 CA--C 1.594 2.646 0 N-CA-C 107.613 -1.255 . . . . 64.32 107.613 179.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.4 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 50.41 110.868 -178.834 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.786 0.327 . . . . 65.22 111.117 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 1.392 ' SG ' ' HB1' ' A' ' 14' ' ' ALA . 14.8 t -101.35 154.71 18.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 63.13 110.897 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -111.92 -26.28 4.47 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.744 -0.741 . . . . 74.32 112.507 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' DBB . . . . . 1.725 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -52.64 -92.74 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 CA-C-O 123.48 1.6 . . . . 63.21 112.478 -177.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' IAS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.486 -0.245 . . . . 64.13 112.486 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 1.725 ' SG ' ' HB3' ' A' ' 4' ' ' DBB . 1.6 t -92.1 142.86 27.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.352 . . . . 74.23 110.872 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.27 167.58 6.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 34.1 111.083 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.1 mmtt -113.84 -174.55 2.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.407 0.623 . . . . 73.01 110.912 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' DBB . . . . . 1.661 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 1.623 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 10.0 m -77.59 58.73 1.83 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 118.512 0.597 . . . . 70.35 110.909 -177.47 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -129.89 -35.92 1.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 61.14 111.05 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 1.392 ' HB1' ' SG ' ' A' ' 2' ' ' CYS . . . -166.91 -42.47 0.02 OUTLIER 'General case' 0 CA--C 1.593 2.621 0 N-CA-C 107.524 -1.287 . . . . 63.42 107.524 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.1 t -71.26 -74.24 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 61.1 110.83 -178.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 1.661 ' SG ' ' HB3' ' A' ' 11' ' ' DBB . 6.6 m -75.89 153.81 36.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 70.11 110.885 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -110.22 82.96 1.68 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 64.24 111.116 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 1.623 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . -82.17 -37.89 25.48 Favored 'General case' 0 CA--C 1.593 2.626 0 N-CA-C 107.562 -1.273 . . . . 70.33 107.562 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.2 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 32.24 110.856 -178.786 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.876 0.369 . . . . 64.32 111.104 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 1.528 ' SG ' ' HB1' ' A' ' 14' ' ' ALA . 16.9 p -67.48 -24.54 65.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 73.44 110.863 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 119.32 -48.89 0.91 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.77 -0.728 . . . . 40.21 112.492 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' DBB . . . . . 1.747 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 105.33 -116.61 5.29 Favored Glycine 0 N--CA 1.452 -0.285 0 CA-C-O 123.477 1.598 . . . . 72.13 112.47 -177.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' IAS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.426 -0.27 . . . . 72.15 112.426 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 1.747 ' SG ' ' HB3' ' A' ' 4' ' ' DBB . 4.9 t -51.91 158.72 0.98 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.832 0.349 . . . . 55.4 110.897 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -85.83 156.12 20.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 52.14 111.117 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.7 mtmt -108.01 -170.29 1.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.383 0.611 . . . . 72.14 110.883 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' DBB . . . . . 1.731 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 1.565 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 6.6 m -77.38 58.55 1.7 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 118.518 0.599 . . . . 63.11 110.85 -177.442 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -131.29 -35.69 1.33 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 70.04 111.1 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 1.528 ' HB1' ' SG ' ' A' ' 2' ' ' CYS . . . -165.18 -46.83 0.03 OUTLIER 'General case' 0 CA--C 1.594 2.641 0 N-CA-C 107.537 -1.282 . . . . 70.11 107.537 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.1 t -67.9 -73.07 0.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 72.15 110.896 -178.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 1.731 ' SG ' ' HB3' ' A' ' 11' ' ' DBB . 4.8 m -78.11 155.96 30.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.073 -0.512 . . . . 61.42 110.918 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.69 83.64 1.89 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 71.24 111.096 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 1.565 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . -84.27 108.73 17.3 Favored 'General case' 0 CA--C 1.593 2.619 0 N-CA-C 107.562 -1.273 . . . . 54.13 107.562 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 54.3 p . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 64.35 110.886 -178.837 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.859 0.362 . . . . 51.13 111.087 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 1.404 ' SG ' ' CB ' ' A' ' 14' ' ' ALA . 0.5 OUTLIER -64.71 162.04 16.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 75.23 110.885 -179.918 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -178.53 58.61 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.735 . . . . 63.21 112.553 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' DBB . . . . . 1.662 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -51.28 -91.2 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 CA-C-O 123.432 1.574 . . . . 44.55 112.51 -177.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' IAS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.49 -0.244 . . . . 74.33 112.49 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 1.662 ' SG ' ' HB3' ' A' ' 4' ' ' DBB . 4.4 t -89.37 135.79 33.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.873 0.368 . . . . 73.12 110.903 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.488 ' HB3' ' CB ' ' A' ' 13' ' ' ALA . . . -90.21 -179.65 5.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 64.01 111.132 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.4 ttmm -114.44 170.69 8.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.404 0.621 . . . . 74.13 110.915 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' DBB . . . . . 1.734 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 1.637 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 6.4 m -77.31 58.85 1.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 118.546 0.612 . . . . 75.03 110.821 -177.389 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.488 ' CB ' ' HB3' ' A' ' 9' ' ' ALA . . . -128.11 -35.95 1.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 53.41 111.102 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 1.404 ' CB ' ' SG ' ' A' ' 2' ' ' CYS . . . -170.09 -49.2 0.02 OUTLIER 'General case' 0 CA--C 1.593 2.631 0 N-CA-C 107.555 -1.276 . . . . 61.15 107.555 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 60.4 p -62.8 -65.98 0.61 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 53.34 110.85 -178.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 1.734 ' SG ' ' HB3' ' A' ' 11' ' ' DBB . 4.3 m -85.04 159.82 20.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 70.21 110.86 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -116.78 83.74 2.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 63.05 111.116 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 1.637 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . -77.72 -44.54 27.51 Favored 'General case' 0 CA--C 1.593 2.633 0 N-CA-C 107.607 -1.257 . . . . 44.21 107.607 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.6 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 64.43 110.836 -178.849 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.846 0.355 . . . . 32.32 111.123 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 1.404 ' SG ' ' CB ' ' A' ' 14' ' ' ALA . 7.1 m -105.4 -54.93 2.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 62.22 110.921 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 106.92 14.1 19.99 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.724 -0.751 . . . . 64.45 112.492 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' DBB . . . . . 1.665 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 112.17 -59.64 0.36 Allowed Glycine 0 N--CA 1.45 -0.369 0 CA-C-O 123.523 1.624 . . . . 63.32 112.539 -177.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' IAS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.478 -0.249 . . . . 72.23 112.478 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 1.665 ' SG ' ' HB3' ' A' ' 4' ' ' DBB . 29.3 t -85.3 121.65 28.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.817 0.341 . . . . 62.21 110.936 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.8 164.2 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 74.54 111.115 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.8 ttpt -110.27 172.5 6.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.454 0.645 . . . . 74.14 110.877 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' DBB . . . . . 1.705 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 1.616 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 7.8 m -77.41 58.41 1.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 118.558 0.617 . . . . 75.41 110.865 -177.442 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.46 -35.39 1.96 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 70.02 111.108 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 1.404 ' CB ' ' SG ' ' A' ' 2' ' ' CYS . . . -169.03 -40.79 0.02 OUTLIER 'General case' 0 CA--C 1.594 2.637 0 N-CA-C 107.507 -1.294 . . . . 74.23 107.507 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.2 t -71.98 -74.27 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 55.2 110.875 -178.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 1.705 ' SG ' ' HB3' ' A' ' 11' ' ' DBB . 8.9 m -74.55 159.72 31.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 73.24 110.9 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -114.87 83.19 1.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 54.45 111.074 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 1.616 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . -83.45 -40.56 19.11 Favored 'General case' 0 CA--C 1.593 2.628 0 N-CA-C 107.582 -1.266 . . . . 64.23 107.582 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 37.3 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 54.43 110.843 -178.783 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.809 0.338 . . . . 53.31 111.126 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 1.385 ' SG ' ' CB ' ' A' ' 14' ' ' ALA . 7.5 t -153.89 130.77 10.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 62.22 110.906 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.31 -25.77 49.12 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.719 -0.753 . . . . 54.14 112.538 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' DBB . . . . . 1.72 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -52.33 -92.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 CA-C-O 123.472 1.596 . . . . 71.41 112.531 -177.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' IAS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.485 -0.246 . . . . 65.1 112.485 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 1.72 ' SG ' ' HB3' ' A' ' 4' ' ' DBB . 0.9 OUTLIER -85.86 167.07 15.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.784 0.326 . . . . 71.41 110.937 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.74 153.95 19.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 73.02 111.095 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.5 pttm -104.86 -174.23 2.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.401 0.619 . . . . 75.3 110.884 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' DBB . . . . . 1.666 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 1.593 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 5.1 m -78.09 58.27 1.97 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 118.54 0.609 . . . . 74.22 110.904 -177.442 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.79 -35.68 1.87 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 61.13 111.094 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 1.385 ' CB ' ' SG ' ' A' ' 2' ' ' CYS . . . -168.09 -41.37 0.02 OUTLIER 'General case' 0 CA--C 1.594 2.636 0 N-CA-C 107.583 -1.266 . . . . 54.13 107.583 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 43.3 t -71.51 -74.31 0.16 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 54.52 110.883 -178.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 1.666 ' SG ' ' HB3' ' A' ' 11' ' ' DBB . 8.4 m -75.11 162.52 28.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.121 -0.49 . . . . 70.42 110.884 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -117.86 83.98 2.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 72.14 111.104 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 1.593 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . -85.8 108.88 18.31 Favored 'General case' 0 CA--C 1.593 2.631 0 N-CA-C 107.565 -1.272 . . . . 71.55 107.565 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.2 p . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 75.4 110.904 -178.836 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.806 0.336 . . . . 73.24 111.107 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 1.4 ' SG ' ' CB ' ' A' ' 14' ' ' ALA . 1.7 t -94.32 155.24 17.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 52.41 110.869 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -92.24 -19.34 39.28 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.743 -0.741 . . . . 61.21 112.472 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' DBB . . . . . 1.698 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -59.45 -102.94 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 CA-C-O 123.487 1.604 . . . . 72.21 112.507 -177.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' IAS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.491 -0.244 . . . . 54.0 112.491 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 1.698 ' SG ' ' HB3' ' A' ' 4' ' ' DBB . 4.2 t -52.23 161.73 0.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.869 0.366 . . . . 73.05 110.84 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.4 ' HB1' ' HB3' ' A' ' 13' ' ' ALA . . . -55.42 159.4 2.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 71.11 111.1 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.59 173.18 6.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.422 0.63 . . . . 72.43 110.918 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' DBB . . . . . 1.725 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 1.385 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 34.4 t -77.57 59.42 1.94 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 118.559 0.618 . . . . 64.13 110.866 -177.427 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.4 ' HB3' ' HB1' ' A' ' 9' ' ' ALA . . . -128.22 -36.33 1.94 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 72.43 111.146 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 1.4 ' CB ' ' SG ' ' A' ' 2' ' ' CYS . . . -171.01 -40.7 0.02 OUTLIER 'General case' 0 CA--C 1.593 2.619 0 N-CA-C 107.558 -1.275 . . . . 71.31 107.558 179.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.6 m -70.17 -70.72 0.28 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 75.12 110.831 -178.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 1.725 ' SG ' ' HB3' ' A' ' 11' ' ' DBB . 8.5 m -78.72 152.43 31.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 61.11 110.889 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -103.87 81.87 1.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 73.11 111.081 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 1.385 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . -50.71 103.74 0.06 Allowed 'General case' 0 CA--C 1.593 2.629 0 N-CA-C 107.551 -1.277 . . . . 75.21 107.551 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 72.15 110.851 -178.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.773 0.32 . . . . 74.31 111.096 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 1.533 ' SG ' ' HB2' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -118.68 154.2 33.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.252 -0.431 . . . . 73.11 110.902 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 178.63 46.37 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.727 -0.749 . . . . 45.3 112.477 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' DBB . . . . . 1.651 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -54.58 -78.33 0.12 Allowed Glycine 0 N--CA 1.452 -0.295 0 CA-C-O 123.464 1.591 . . . . 73.12 112.467 -177.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' IAS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.456 -0.257 . . . . 73.04 112.456 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 1.651 ' SG ' ' HB3' ' A' ' 4' ' ' DBB . 7.4 t -51.87 149.3 4.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.805 0.336 . . . . 60.43 110.886 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.68 141.92 58.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.443 . . . . 73.01 111.121 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.76 161.01 14.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.384 0.612 . . . . 71.44 110.886 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' DBB . . . . . 1.744 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 1.391 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 37.4 t -66.0 98.12 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 118.549 0.613 . . . . 72.42 110.845 -177.394 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -176.81 -37.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 60.12 111.08 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 1.533 ' HB2' ' SG ' ' A' ' 2' ' ' CYS . . . -163.14 -64.01 0.04 OUTLIER 'General case' 0 CA--C 1.594 2.642 0 N-CA-C 107.545 -1.279 . . . . 74.43 107.545 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 55.1 p -54.97 -64.77 0.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 74.23 110.842 -178.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 1.744 ' SG ' ' HB3' ' A' ' 11' ' ' DBB . 7.9 m -87.5 150.2 23.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 73.34 110.902 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -105.24 82.75 1.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 4.23 111.099 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 1.391 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . -50.42 103.92 0.06 Allowed 'General case' 0 CA--C 1.594 2.649 0 N-CA-C 107.569 -1.271 . . . . 54.01 107.569 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.0 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 54.32 110.84 -178.781 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.802 0.334 . . . . 70.3 111.128 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 1.395 ' SG ' ' CB ' ' A' ' 14' ' ' ALA . 4.7 t -116.38 144.88 43.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 74.13 110.884 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -70.11 -44.49 60.4 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.742 -0.742 . . . . 70.14 112.477 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' DBB . . . . . 1.669 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -50.28 -89.37 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 CA-C-O 123.512 1.618 . . . . 73.23 112.497 -177.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' IAS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.474 -0.25 . . . . 23.21 112.474 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 1.669 ' SG ' ' HB3' ' A' ' 4' ' ' DBB . 7.6 t -78.15 157.31 29.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.822 0.344 . . . . 74.3 110.848 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.527 ' HB1' ' CB ' ' A' ' 13' ' ' ALA . . . -54.24 125.43 19.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 33.32 111.112 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 44.8 pttt -87.74 169.96 11.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.403 0.62 . . . . 63.25 110.883 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' DBB . . . . . 1.673 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 1.54 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 5.5 m -77.53 58.6 1.77 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 118.542 0.61 . . . . 61.13 110.852 -177.462 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.527 ' CB ' ' HB1' ' A' ' 9' ' ' ALA . . . -129.79 -35.63 1.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 74.33 111.066 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 1.395 ' CB ' ' SG ' ' A' ' 2' ' ' CYS . . . -167.35 -41.64 0.02 OUTLIER 'General case' 0 CA--C 1.593 2.617 0 N-CA-C 107.523 -1.288 . . . . 71.25 107.523 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.2 m -71.96 -74.76 0.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 75.24 110.85 -178.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 1.673 ' SG ' ' HB3' ' A' ' 11' ' ' DBB . 8.3 m -74.59 160.85 30.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 63.14 110.919 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -116.61 83.85 2.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 72.0 111.071 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 1.54 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . -86.29 108.8 18.57 Favored 'General case' 0 CA--C 1.594 2.635 0 N-CA-C 107.553 -1.277 . . . . 51.01 107.553 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.5 p . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 75.31 110.869 -178.816 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.851 0.357 . . . . 53.53 111.162 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 1.396 ' SG ' ' CB ' ' A' ' 14' ' ' ALA . 2.4 t -53.22 126.22 20.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 74.31 110.854 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -65.02 -19.84 66.22 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 40.3 112.494 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' DBB . . . . . 1.703 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -52.32 -92.31 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 CA-C-O 123.448 1.582 . . . . 71.02 112.486 -177.457 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' IAS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.475 -0.25 . . . . 35.45 112.475 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 1.703 ' SG ' ' HB3' ' A' ' 4' ' ' DBB . 1.6 t -90.86 166.86 12.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.86 0.362 . . . . 64.32 110.861 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.63 153.77 41.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 72.05 111.077 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.2 mtmt -108.17 156.1 19.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.357 0.599 . . . . 74.1 110.874 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' DBB . . . . . 1.688 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 1.557 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 5.3 m -77.55 58.48 1.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 118.56 0.618 . . . . 62.51 110.87 -177.399 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -129.86 -35.81 1.63 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 71.42 111.094 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 1.396 ' CB ' ' SG ' ' A' ' 2' ' ' CYS . . . -165.81 -49.45 0.03 OUTLIER 'General case' 0 CA--C 1.594 2.641 0 N-CA-C 107.581 -1.266 . . . . 73.43 107.581 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 43.3 p -65.17 -70.7 0.22 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 70.44 110.849 -178.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 1.688 ' SG ' ' HB3' ' A' ' 11' ' ' DBB . 4.0 m -80.72 155.43 26.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.483 . . . . 35.33 110.903 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -114.05 84.17 1.99 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 54.23 111.131 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 1.557 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . -82.52 109.42 16.71 Favored 'General case' 0 CA--C 1.594 2.648 0 N-CA-C 107.58 -1.267 . . . . 73.31 107.58 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 81.8 p . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 71.41 110.828 -178.773 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.84 0.352 . . . . 60.22 111.156 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 1.613 ' SG ' ' HB1' ' A' ' 14' ' ' ALA . 15.9 p -101.04 -168.66 1.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 70.44 110.888 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -100.71 -37.45 3.7 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.736 -0.745 . . . . 71.32 112.474 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' DBB . . . . . 1.644 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 102.7 -115.42 5.19 Favored Glycine 0 N--CA 1.452 -0.3 0 CA-C-O 123.483 1.601 . . . . 43.51 112.483 -177.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' IAS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.481 -0.247 . . . . 71.33 112.481 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 1.644 ' SG ' ' HB3' ' A' ' 4' ' ' DBB . 5.0 t -51.66 159.77 0.73 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.86 0.362 . . . . 34.41 110.893 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -86.06 152.12 23.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 64.13 111.103 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.0 mtpt -106.14 -171.26 1.87 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.394 0.616 . . . . 72.44 110.91 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' DBB . . . . . 1.778 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 1.414 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 34.9 t -78.79 58.06 2.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 118.524 0.602 . . . . 62.53 110.883 -177.451 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -133.68 -35.66 0.98 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 53.33 111.088 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 1.613 ' HB1' ' SG ' ' A' ' 2' ' ' CYS . . . -169.85 -55.21 0.02 OUTLIER 'General case' 0 CA--C 1.594 2.653 0 N-CA-C 107.543 -1.28 . . . . 62.02 107.543 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.6 t -54.76 -59.66 4.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 60.3 110.841 -178.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 1.778 ' SG ' ' HB3' ' A' ' 11' ' ' DBB . 4.6 m -96.18 158.45 15.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 72.32 110.837 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -110.99 83.28 1.73 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 50.41 111.105 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 1.414 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . -50.64 104.18 0.07 Allowed 'General case' 0 CA--C 1.593 2.634 0 N-CA-C 107.561 -1.274 . . . . 64.1 107.561 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.9 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 74.0 110.855 -178.802 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.778 0.323 . . . . 74.21 111.1 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 1.405 ' SG ' ' CB ' ' A' ' 14' ' ' ALA . 16.7 p -98.15 -25.34 14.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 75.43 110.867 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 150.07 -27.15 1.14 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 71.23 112.487 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' DBB . . . . . 1.77 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -56.46 -88.25 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 CA-C-O 123.45 1.583 . . . . 30.33 112.483 -177.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' IAS . . . . . 0.626 ' HXT' ' N ' ' A' ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.626 ' N ' ' HXT' ' A' ' 6' ' ' IAS . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.434 -0.266 . . . . 64.31 112.434 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 1.77 ' SG ' ' HB3' ' A' ' 4' ' ' DBB . 1.6 t -82.54 140.5 33.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.835 0.35 . . . . 74.24 110.877 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.42 ' HB1' ' CB ' ' A' ' 13' ' ' ALA . . . -53.81 135.93 40.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 72.14 111.138 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -91.12 179.57 5.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.402 0.62 . . . . 74.12 110.859 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' DBB . . . . . 1.683 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 1.613 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 10.7 m -77.4 58.53 1.7 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 118.529 0.604 . . . . 71.41 110.869 -177.405 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.42 ' CB ' ' HB1' ' A' ' 9' ' ' ALA . . . -130.13 -35.79 1.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 75.23 111.052 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 1.405 ' CB ' ' SG ' ' A' ' 2' ' ' CYS . . . -166.57 -43.01 0.02 OUTLIER 'General case' 0 CA--C 1.594 2.637 0 N-CA-C 107.555 -1.276 . . . . 71.31 107.555 179.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.8 m -70.92 -74.35 0.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 71.22 110.85 -178.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 1.683 ' SG ' ' HB3' ' A' ' 11' ' ' DBB . 6.8 m -75.69 153.85 36.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 75.35 110.876 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -110.4 82.86 1.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 73.43 111.113 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 1.613 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . -82.56 -49.3 10.02 Favored 'General case' 0 CA--C 1.593 2.628 0 N-CA-C 107.584 -1.265 . . . . 54.34 107.584 179.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.9 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 75.33 110.842 -178.848 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.846 0.355 . . . . 63.1 111.114 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 1.392 ' SG ' ' CB ' ' A' ' 14' ' ' ALA . 4.5 t -155.69 154.23 31.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 70.13 110.901 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -105.98 -31.39 4.16 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.742 -0.742 . . . . 52.52 112.501 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' DBB . . . . . 1.72 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -53.22 -93.63 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 CA-C-O 123.521 1.623 . . . . 44.12 112.497 -177.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' IAS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.501 -0.24 . . . . 72.33 112.501 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 1.72 ' SG ' ' HB3' ' A' ' 4' ' ' DBB . 0.5 OUTLIER -80.94 173.66 12.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.789 0.328 . . . . 65.52 110.897 -179.866 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -99.17 162.34 13.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 44.34 111.112 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.22 174.07 6.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.383 0.611 . . . . 63.4 110.883 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' DBB . . . . . 1.705 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 1.675 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 6.8 m -76.94 59.57 1.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 118.535 0.607 . . . . 73.25 110.922 -177.462 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -127.83 -36.19 2.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 62.34 111.108 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 1.392 ' CB ' ' SG ' ' A' ' 2' ' ' CYS . . . -168.27 -44.75 0.02 OUTLIER 'General case' 0 CA--C 1.594 2.636 0 N-CA-C 107.546 -1.279 . . . . 74.21 107.546 179.749 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.7 p -68.76 -71.26 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 75.22 110.836 -178.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 1.705 ' SG ' ' HB3' ' A' ' 11' ' ' DBB . 4.9 m -77.97 153.13 32.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 55.53 110.861 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -110.7 82.96 1.68 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 72.1 111.091 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 1.675 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . -78.82 -46.2 19.22 Favored 'General case' 0 CA--C 1.593 2.632 0 N-CA-C 107.592 -1.262 . . . . 61.2 107.592 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.8 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 53.42 110.838 -178.813 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.792 0.33 . . . . 63.23 111.061 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 1.407 ' SG ' ' CB ' ' A' ' 14' ' ' ALA . 1.4 m -52.19 -74.96 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 70.01 110.833 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 113.7 18.92 6.73 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.769 -0.729 . . . . 63.53 112.494 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' DBB . . . . . 1.704 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -51.65 -91.49 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 CA-C-O 123.463 1.591 . . . . 73.24 112.512 -177.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' IAS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.529 -0.229 . . . . 72.11 112.529 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 1.704 ' SG ' ' HB3' ' A' ' 4' ' ' DBB . 2.8 t -88.1 113.34 23.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.839 0.352 . . . . 73.03 110.868 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.66 159.91 2.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 71.05 111.116 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.89 155.85 21.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.411 0.624 . . . . 74.01 110.906 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' DBB . . . . . 1.65 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 1.601 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 5.5 m -77.54 58.31 1.73 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 118.56 0.618 . . . . 61.34 110.91 -177.425 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -130.82 -35.74 1.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 60.14 111.116 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 1.407 ' CB ' ' SG ' ' A' ' 2' ' ' CYS . . . -164.46 -52.26 0.03 OUTLIER 'General case' 0 CA--C 1.594 2.644 0 N-CA-C 107.603 -1.258 . . . . 72.51 107.603 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.2 p -63.26 -69.7 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 73.3 110.851 -178.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 1.65 ' SG ' ' HB3' ' A' ' 11' ' ' DBB . 3.7 m -82.75 152.35 25.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.117 -0.492 . . . . 73.3 110.848 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -112.25 84.0 1.89 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 64.23 111.07 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 1.601 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . -81.89 106.44 13.81 Favored 'General case' 0 CA--C 1.593 2.625 0 N-CA-C 107.542 -1.281 . . . . 60.25 107.542 179.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.3 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 72.31 110.857 -178.815 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.862 0.363 . . . . 60.34 111.078 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 1.406 ' SG ' ' CB ' ' A' ' 14' ' ' ALA . 8.9 t -63.17 153.8 33.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 72.4 110.924 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -73.01 -29.14 65.28 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.747 -0.74 . . . . 74.22 112.553 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' DBB . . . . . 1.67 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -51.91 -73.99 0.34 Allowed Glycine 0 N--CA 1.452 -0.273 0 CA-C-O 123.469 1.594 . . . . 72.23 112.478 -177.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' IAS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.479 -0.248 . . . . 73.02 112.479 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 1.67 ' SG ' ' HB3' ' A' ' 4' ' ' DBB . 2.4 t -57.84 164.45 2.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.871 0.367 . . . . 74.15 110.902 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.533 ' HB1' ' CB ' ' A' ' 13' ' ' ALA . . . -51.36 154.3 1.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 65.54 111.065 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.429 ' HB3' ' H1 ' ' A' ' 11' ' ' DBB . 21.0 mttp -112.67 172.93 6.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.396 0.617 . . . . 73.33 110.856 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' DBB . . . . . 1.661 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 1.732 ' SG ' ' HB3' ' A' ' 18' ' ' ALA . 8.7 t -79.77 57.13 2.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 118.548 0.613 . . . . 74.14 110.853 -177.415 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.533 ' CB ' ' HB1' ' A' ' 9' ' ' ALA . . . -127.23 -35.67 2.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 61.14 111.107 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 1.406 ' CB ' ' SG ' ' A' ' 2' ' ' CYS . . . -173.1 -42.19 0.01 OUTLIER 'General case' 0 CA--C 1.594 2.64 0 N-CA-C 107.564 -1.272 . . . . 52.41 107.564 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.7 t -66.41 -68.3 0.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 52.25 110.85 -178.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 1.661 ' SG ' ' HB3' ' A' ' 11' ' ' DBB . 11.8 m -82.23 120.43 25.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 61.14 110.891 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.8 77.48 1.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 75.2 111.104 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 1.732 ' HB3' ' SG ' ' A' ' 12' ' ' CYS . . . -76.35 -41.4 48.39 Favored 'General case' 0 CA--C 1.593 2.619 0 N-CA-C 107.545 -1.28 . . . . 64.0 107.545 179.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.1 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 53.45 110.836 -178.751 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.847 0.356 . . . . 74.55 111.098 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 1.489 ' SG ' ' HB2' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -153.9 133.57 12.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 72.24 110.864 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -151.37 22.12 0.95 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.739 . . . . 55.53 112.42 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' DBB . . . . . 1.697 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 89.9 119.58 1.95 Allowed Glycine 0 N--CA 1.45 -0.375 0 CA-C-O 123.477 1.598 . . . . 73.42 112.534 -177.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' IAS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.468 -0.253 . . . . 64.32 112.468 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 1.697 ' SG ' ' HB3' ' A' ' 4' ' ' DBB . 8.8 t -137.49 140.72 41.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.796 0.332 . . . . 73.54 110.89 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.44 -175.04 4.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 73.53 111.083 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.414 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 0.3 OUTLIER -109.69 176.19 5.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.353 0.597 . . . . 62.32 110.919 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' DBB . . . . . 1.703 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 1.68 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 88.3 m -64.12 -12.36 38.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 118.54 0.609 . . . . 55.31 110.932 -177.435 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 10' ' ' LYS . . . -46.67 -41.36 14.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 64.31 111.126 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 1.489 ' HB2' ' SG ' ' A' ' 2' ' ' CYS . . . -175.68 -51.36 0.01 OUTLIER 'General case' 0 CA--C 1.594 2.637 0 N-CA-C 107.551 -1.278 . . . . 75.21 107.551 179.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.2 t -48.84 -75.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 73.53 110.887 -178.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 1.703 ' SG ' ' HB3' ' A' ' 11' ' ' DBB . 18.6 m -68.73 128.46 36.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 74.53 110.948 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.5 73.17 3.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 34.44 111.14 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 1.68 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . -61.31 -39.33 90.09 Favored 'General case' 0 CA--C 1.593 2.61 0 N-CA-C 107.54 -1.282 . . . . 60.05 107.54 179.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 72.5 110.883 -178.82 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.859 0.361 . . . . 60.12 111.093 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 1.396 ' SG ' ' CB ' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -91.41 95.31 9.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 71.12 110.876 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -72.47 -25.56 73.96 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.732 -0.746 . . . . 35.31 112.528 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' DBB . . . . . 1.686 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -179.9 44.7 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 CA-C-O 123.528 1.626 . . . . 63.23 112.5 -177.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' IAS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.457 -0.257 . . . . 44.11 112.457 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 1.686 ' SG ' ' HB3' ' A' ' 4' ' ' DBB . 35.7 m -64.4 119.22 9.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.838 0.352 . . . . 74.02 110.884 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.549 ' HB3' ' CB ' ' A' ' 13' ' ' ALA . . . -67.74 171.73 6.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 63.22 111.091 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -95.58 -178.48 4.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.362 0.601 . . . . 62.31 110.888 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' DBB . . . . . 1.754 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 1.456 ' SG ' ' HB2' ' A' ' 18' ' ' ALA . 3.2 t -77.57 58.81 1.83 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 118.5 0.591 . . . . 73.23 110.884 -177.462 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.549 ' CB ' ' HB3' ' A' ' 9' ' ' ALA . . . -127.56 -35.79 2.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 54.04 111.122 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 1.396 ' CB ' ' SG ' ' A' ' 2' ' ' CYS . . . -170.45 -40.52 0.02 OUTLIER 'General case' 0 CA--C 1.593 2.613 0 N-CA-C 107.59 -1.263 . . . . 73.01 107.59 179.762 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.8 m -71.21 -72.32 0.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 71.02 110.858 -178.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 1.754 ' SG ' ' HB3' ' A' ' 11' ' ' DBB . 8.5 m -76.59 161.72 28.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 72.2 110.903 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -99.93 4.65 45.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 73.04 111.106 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 1.456 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . . . 52.43 90.31 0.03 OUTLIER 'General case' 0 CA--C 1.593 2.627 0 N-CA-C 107.604 -1.258 . . . . 72.44 107.604 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.6 p . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 62.31 110.847 -178.784 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.843 0.354 . . . . 73.22 111.106 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 1.402 ' SG ' ' CB ' ' A' ' 14' ' ' ALA . 0.9 OUTLIER 61.44 37.69 16.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 62.14 110.899 -179.912 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -81.62 57.43 4.91 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.777 -0.725 . . . . 23.22 112.459 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' DBB . . . . . 1.658 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 125.87 -111.37 1.45 Allowed Glycine 0 N--CA 1.451 -0.316 0 CA-C-O 123.471 1.595 . . . . 32.11 112.495 -177.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' IAS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.43 -0.268 . . . . 71.14 112.43 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 1.658 ' SG ' ' HB3' ' A' ' 4' ' ' DBB . 46.6 t -57.69 118.51 5.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.805 0.335 . . . . 63.34 110.884 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.522 ' HB3' ' CB ' ' A' ' 13' ' ' ALA . . . -78.07 -176.72 4.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 74.44 111.099 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.0 mmmt -113.98 175.43 5.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.397 0.618 . . . . 73.23 110.881 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' DBB . . . . . 1.735 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 1.393 ' SG ' ' CB ' ' A' ' 18' ' ' ALA . 81.3 m -77.45 59.27 1.85 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 118.569 0.622 . . . . 60.44 110.882 -177.434 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.522 ' CB ' ' HB3' ' A' ' 9' ' ' ALA . . . -129.09 -36.26 1.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 54.34 111.103 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 1.402 ' CB ' ' SG ' ' A' ' 2' ' ' CYS . . . -174.56 -44.3 0.01 OUTLIER 'General case' 0 CA--C 1.594 2.647 0 N-CA-C 107.594 -1.262 . . . . 74.5 107.594 179.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.3 t -63.69 -61.93 1.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 53.14 110.895 -178.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 1.735 ' SG ' ' HB3' ' A' ' 11' ' ' DBB . 9.6 m -89.28 134.22 34.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.493 . . . . 72.03 110.837 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.22 -61.77 2.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 60.11 111.086 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 1.393 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . . . 64.58 16.04 10.04 Favored 'General case' 0 CA--C 1.593 2.628 0 N-CA-C 107.595 -1.261 . . . . 74.23 107.595 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 74.51 110.891 -178.828 . . . . . . . . 0 0 . 1 stop_ save_