data_1ttl_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1ttl _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 25.7 p . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 122.105 0.955 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.548 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -96.08 -171.28 2.28 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-N 112.855 -1.975 . . . . 0.0 106.328 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.2 m . . . . . 0 N--CA 1.5 2.061 0 CA-C-O 118.647 -0.692 . . . . 0.0 110.874 179.825 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.673 0 N-CA-C 114.351 0.5 . . . . 0.0 114.351 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.621 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 48.5 t -95.59 130.77 42.34 Favored 'General case' 0 N--CA 1.498 1.959 0 C-N-CA 120.407 -0.517 . . . . 0.0 109.893 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 78.4 p -44.19 133.46 5.3 Favored 'General case' 0 N--CA 1.5 2.055 0 N-CA-C 114.679 1.363 . . . . 0.0 114.679 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.6 p -150.62 139.11 20.5 Favored 'General case' 0 N--CA 1.497 1.895 0 CA-C-N 114.397 -1.274 . . . . 0.0 107.819 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.404 ' HG ' ' HZ1' ' A' ' 24' ' ' LYS . 67.0 m . . . . . 0 N--CA 1.497 1.889 0 O-C-N 123.825 0.703 . . . . 0.0 112.845 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 75.4 p . . . . . 0 N--CA 1.494 1.76 0 N-CA-C 107.34 -1.355 . . . . 0.0 107.34 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.3 m -63.66 -9.13 12.34 Favored 'General case' 0 N--CA 1.497 1.883 0 CA-C-N 113.696 -1.593 . . . . 0.0 111.674 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 58.97 15.82 4.22 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 124.355 1.034 . . . . 0.0 111.743 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -65.21 -24.11 67.26 Favored 'General case' 0 N--CA 1.493 1.688 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.186 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.621 ' SG ' ' HB3' ' A' ' 6' ' ' SER . 60.7 m -132.61 146.13 51.65 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 124.686 1.241 . . . . 0.0 112.438 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.0 m -85.14 -6.15 59.31 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 124.442 1.089 . . . . 0.0 108.455 179.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.1 tpp180 -84.91 -109.31 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 71.2 m -153.42 163.61 39.63 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 50.1 t -97.17 106.35 18.67 Favored 'General case' 0 N--CA 1.497 1.921 0 N-CA-C 114.639 1.348 . . . . 0.0 114.639 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.455 HD21 ' H ' ' A' ' 23' ' ' THR . 2.2 t30 . . . . . 0 N--CA 1.495 1.82 0 CA-C-N 114.368 -1.287 . . . . 0.0 108.572 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 . . . . . 0 N--CA 1.5 2.027 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.455 ' H ' HD21 ' A' ' 20' ' ' ASN . 76.8 p -97.02 -13.26 22.4 Favored 'General case' 0 N--CA 1.495 1.803 0 CA-C-N 114.377 -1.283 . . . . 0.0 110.711 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.404 ' HZ1' ' HG ' ' A' ' 9' ' ' SER . 59.9 tttm 65.43 31.38 10.35 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 106.225 -1.769 . . . . 0.0 106.225 -179.514 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -132.56 -176.67 4.17 Favored 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 105.341 -2.096 . . . . 0.0 105.341 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 61.9 m -88.44 170.68 10.7 Favored 'General case' 0 N--CA 1.493 1.713 0 C-N-CA 119.843 -0.743 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 . . . . . 0 N--CA 1.501 2.1 0 CA-C-O 121.677 0.751 . . . . 0.0 110.463 179.939 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.2 p . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -120.3 110.47 16.59 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 123.844 0.715 . . . . 0.0 109.677 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.0 m . . . . . 0 N--CA 1.5 2.037 0 C-N-CA 119.384 -0.927 . . . . 0.0 112.318 -179.853 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.73 0 CA-C-O 120.43 -0.094 . . . . 0.0 113.244 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.562 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 40.6 t -64.42 102.43 0.54 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 124.012 0.477 . . . . 0.0 110.271 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 57.1 m -54.72 88.29 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.944 0 O-C-N 124.776 1.297 . . . . 0.0 112.844 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.802 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 26.7 p -150.9 172.95 14.86 Favored 'General case' 0 N--CA 1.491 1.614 0 CA-C-N 113.996 -1.456 . . . . 0.0 111.518 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.493 ' H ' ' HG ' ' A' ' 12' ' ' SER . 67.6 m . . . . . 0 N--CA 1.489 1.514 0 CA-C-N 113.763 -1.562 . . . . 0.0 107.771 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.5 p . . . . . 0 N--CA 1.496 1.845 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.493 ' HG ' ' H ' ' A' ' 9' ' ' SER . 53.0 m -68.89 -49.39 58.65 Favored 'General case' 0 N--CA 1.499 1.984 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 59.49 2.29 0.32 Allowed 'General case' 0 N--CA 1.504 2.254 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 48.5 p30 -69.82 -10.14 57.32 Favored 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.562 ' SG ' ' HB3' ' A' ' 6' ' ' SER . 90.8 m -93.77 162.69 13.82 Favored 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 42.5 m -81.94 -42.3 19.64 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 106.312 -1.736 . . . . 0.0 106.312 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -89.64 -108.09 0.08 Allowed 'General case' 0 N--CA 1.492 1.63 0 CA-C-N 113.89 -1.505 . . . . 0.0 110.027 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 70.3 m -155.49 146.97 22.89 Favored 'General case' 0 N--CA 1.503 2.213 0 O-C-N 123.41 0.444 . . . . 0.0 109.901 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.559 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 62.5 m -77.99 110.7 13.15 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 123.923 0.765 . . . . 0.0 110.661 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.418 HD22 ' HB2' ' A' ' 22' ' ' TYR . 19.1 t30 . . . . . 0 N--CA 1.495 1.804 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.679 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.418 ' HB2' HD22 ' A' ' 20' ' ' ASN . 17.1 m-85 . . . . . 0 N--CA 1.499 2.024 0 N-CA-C 107.724 -1.213 . . . . 0.0 107.724 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 74.6 p -117.84 -8.45 10.81 Favored 'General case' 0 N--CA 1.494 1.735 0 CA-C-N 114.302 -1.317 . . . . 0.0 110.906 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.514 ' HE2' ' N ' ' A' ' 24' ' ' LYS . 0.1 OUTLIER 60.1 32.31 20.92 Favored 'General case' 0 N--CA 1.503 2.184 0 N-CA-C 106.533 -1.654 . . . . 0.0 106.533 -179.72 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 89.7 mtm-85 -145.11 145.93 31.61 Favored 'General case' 0 N--CA 1.5 2.032 0 CA-C-N 114.089 -1.414 . . . . 0.0 109.722 -179.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.802 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 95.2 m -72.36 164.8 25.73 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 115.076 1.509 . . . . 0.0 115.076 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 . . . . . 0 N--CA 1.487 1.412 0 CA-C-N 113.191 -1.822 . . . . 0.0 112.948 -179.536 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.7 p . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 122.216 1.007 . . . . 0.0 110.802 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -111.03 -167.46 1.18 Allowed 'General case' 0 N--CA 1.49 1.527 0 CA-C-N 112.632 -2.076 . . . . 0.0 106.381 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.2 m . . . . . 0 N--CA 1.496 1.873 0 CA-C-O 118.338 -0.839 . . . . 0.0 112.443 179.97 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.566 0 N-CA-C 114.716 0.646 . . . . 0.0 114.716 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.593 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 46.6 t -77.14 135.46 38.55 Favored 'General case' 0 N--CA 1.495 1.809 0 C-N-CA 119.241 -0.983 . . . . 0.0 108.434 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 77.7 p -52.23 109.88 0.43 Allowed 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 115.963 1.838 . . . . 0.0 115.963 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.442 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 38.7 t -140.15 127.17 20.84 Favored 'General case' 0 N--CA 1.497 1.9 0 CA-C-N 114.765 -1.107 . . . . 0.0 108.488 179.602 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.467 ' H ' ' HG ' ' A' ' 12' ' ' SER . 62.7 m . . . . . 0 N--CA 1.493 1.703 0 O-C-N 123.952 0.782 . . . . 0.0 111.11 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 68.9 p . . . . . 0 N--CA 1.497 1.912 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.467 ' HG ' ' H ' ' A' ' 9' ' ' SER . 56.0 m -70.42 -17.11 63.01 Favored 'General case' 0 N--CA 1.499 1.989 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.566 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 62.77 -6.93 0.15 Allowed 'General case' 0 N--CA 1.501 2.115 0 N-CA-C 116.507 2.04 . . . . 0.0 116.507 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -72.54 -1.82 17.4 Favored 'General case' 0 N--CA 1.502 2.132 0 C-N-CA 119.74 -0.784 . . . . 0.0 111.634 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.59 ' SG ' ' SG ' ' A' ' 19' ' ' CYS . 64.9 m -108.17 81.46 1.49 Allowed 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 120.049 -0.66 . . . . 0.0 110.554 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.0 m -65.82 -5.71 9.79 Favored 'General case' 0 N--CA 1.499 1.984 0 C-N-CA 117.956 -1.498 . . . . 0.0 110.77 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.27 -83.17 0.43 Allowed 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 102.686 -3.079 . . . . 0.0 102.686 179.603 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 67.9 m -160.76 150.51 17.43 Favored 'General case' 0 N--CA 1.504 2.251 0 O-C-N 123.717 0.636 . . . . 0.0 110.03 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.59 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 95.8 m -97.64 109.58 22.31 Favored 'General case' 0 N--CA 1.502 2.144 0 N-CA-C 114.687 1.366 . . . . 0.0 114.687 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.426 ' HA ' ' CE2' ' A' ' 27' ' ' TYR . 2.1 t30 . . . . . 0 N--CA 1.495 1.821 0 CA-C-N 114.234 -1.348 . . . . 0.0 108.781 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 . . . . . 0 N--CA 1.496 1.84 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 70.5 p -113.14 -3.67 13.91 Favored 'General case' 0 N--CA 1.496 1.859 0 CA-C-N 114.423 -1.262 . . . . 0.0 109.533 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.474 ' HD2' ' N ' ' A' ' 24' ' ' LYS . 11.1 mptt 62.38 45.48 6.54 Favored 'General case' 0 N--CA 1.495 1.82 0 CA-C-O 122.945 1.355 . . . . 0.0 109.594 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.0 mtp-105 -136.62 -171.52 2.93 Favored 'General case' 0 N--CA 1.496 1.826 0 CA-C-N 111.919 -2.4 . . . . 0.0 105.841 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.593 ' SG ' ' HB3' ' A' ' 6' ' ' SER . 58.6 m -101.58 171.24 7.68 Favored 'General case' 0 N--CA 1.506 2.359 0 C-N-CA 120.083 -0.647 . . . . 0.0 110.709 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.426 ' CE2' ' HA ' ' A' ' 20' ' ' ASN . 84.7 m-85 . . . . . 0 N--CA 1.499 1.989 0 CA-C-O 121.721 0.772 . . . . 0.0 108.958 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.1 p . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -114.7 112.93 23.62 Favored 'General case' 0 N--CA 1.501 2.104 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.2 m . . . . . 0 N--CA 1.496 1.853 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 -179.729 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.584 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.455 ' OG ' ' SG ' ' A' ' 15' ' ' CYS . 58.3 p -75.34 140.67 43.21 Favored 'General case' 0 N--CA 1.485 1.318 0 CA-C-O 121.346 0.593 . . . . 0.0 110.413 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 81.6 p -48.91 116.54 1.69 Allowed 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 117.415 2.376 . . . . 0.0 117.415 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.2 t -150.78 131.51 14.05 Favored 'General case' 0 N--CA 1.496 1.83 0 CA-C-N 114.44 -1.254 . . . . 0.0 109.039 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.1 m . . . . . 0 N--CA 1.494 1.749 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 -179.82 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 75.7 p . . . . . 0 N--CA 1.495 1.822 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 55.0 m -70.88 -44.18 66.87 Favored 'General case' 0 N--CA 1.5 2.042 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 55.93 13.05 1.01 Allowed 'General case' 0 N--CA 1.501 2.09 0 O-C-N 124.752 1.283 . . . . 0.0 113.239 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 49.9 p30 -85.13 26.41 0.88 Allowed 'General case' 0 N--CA 1.495 1.805 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.241 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.455 ' SG ' ' OG ' ' A' ' 6' ' ' SER . 92.3 m -129.74 158.42 39.46 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-N 115.052 -0.976 . . . . 0.0 112.818 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 37.5 m -84.77 -50.15 7.84 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-N 114.134 -1.394 . . . . 0.0 111.337 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.1 mmt85 -73.02 -100.95 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.85 0 CA-C-N 114.578 -1.192 . . . . 0.0 112.267 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 65.0 m -143.63 -178.08 5.72 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.4 t -112.55 106.7 15.21 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 123.847 0.717 . . . . 0.0 111.368 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.456 ' H ' ' HA ' ' A' ' 26' ' ' CYS . 0.6 OUTLIER . . . . . 0 N--CA 1.493 1.699 0 CA-C-N 114.876 -1.057 . . . . 0.0 108.509 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 . . . . . 0 N--CA 1.499 1.991 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.0 t -117.86 2.0 12.15 Favored 'General case' 0 N--CA 1.496 1.835 0 CA-C-N 114.585 -1.189 . . . . 0.0 109.268 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt 63.33 38.33 10.3 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 124.246 0.966 . . . . 0.0 111.396 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 -135.22 -164.9 1.6 Allowed 'General case' 0 N--CA 1.5 2.054 0 N-CA-C 106.189 -1.782 . . . . 0.0 106.189 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.456 ' HA ' ' H ' ' A' ' 20' ' ' ASN . 93.2 m -115.17 175.18 5.62 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 123.868 0.73 . . . . 0.0 112.212 179.482 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 . . . . . 0 N--CA 1.498 1.935 0 CA-C-O 121.69 0.757 . . . . 0.0 113.03 -179.643 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 30.0 p . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.432 ' N ' ' HD2' ' A' ' 2' ' ' LYS . 2.3 mptp? -132.12 113.37 13.24 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 105.188 -2.153 . . . . 0.0 105.188 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.8 m . . . . . 0 N--CA 1.5 2.06 0 N-CA-C 115.438 1.644 . . . . 0.0 115.438 -179.593 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.649 0 N-CA-C 114.077 0.391 . . . . 0.0 114.077 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.521 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 46.9 t -71.6 146.14 48.56 Favored 'General case' 0 N--CA 1.495 1.812 0 C-N-CA 119.962 -0.695 . . . . 0.0 109.231 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 59.5 m -66.35 131.28 45.74 Favored 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.4 t -136.74 171.33 14.66 Favored 'General case' 0 N--CA 1.495 1.81 0 CA-C-N 113.42 -1.718 . . . . 0.0 108.246 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 65.4 m . . . . . 0 N--CA 1.495 1.81 0 CA-C-O 118.417 -0.801 . . . . 0.0 109.158 -179.928 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.406 ' C ' ' H ' ' A' ' 13' ' ' TYR . 90.5 m . . . . . 0 N--CA 1.498 1.954 0 CA-C-O 121.963 0.887 . . . . 0.0 109.518 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.4 m -71.16 6.69 1.53 Allowed 'General case' 0 N--CA 1.499 2.004 0 CA-C-N 114.207 -1.36 . . . . 0.0 111.582 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.406 ' H ' ' C ' ' A' ' 11' ' ' THR . 85.8 m-85 65.41 5.8 3.36 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 124.201 0.938 . . . . 0.0 111.37 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -83.11 -22.12 33.48 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.06 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.645 ' SG ' ' SG ' ' A' ' 19' ' ' CYS . 66.6 m -90.39 119.42 30.66 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 124.072 0.858 . . . . 0.0 113.196 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 77.9 m -73.45 -43.51 60.14 Favored 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 106.235 -1.765 . . . . 0.0 106.235 179.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -83.49 -83.47 0.14 Allowed 'General case' 0 N--CA 1.489 1.505 0 CA-C-N 113.686 -1.597 . . . . 0.0 108.437 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 67.9 m -156.83 170.33 22.73 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 123.748 0.655 . . . . 0.0 110.968 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.645 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 85.4 m -98.79 109.45 22.21 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 115.146 1.536 . . . . 0.0 115.146 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.426 ' HA ' ' CZ ' ' A' ' 27' ' ' TYR . 1.2 t30 . . . . . 0 N--CA 1.492 1.654 0 CA-C-N 113.957 -1.474 . . . . 0.0 108.255 179.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.402 ' HB2' HD22 ' A' ' 20' ' ' ASN . 63.1 m-85 . . . . . 0 N--CA 1.498 1.963 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 79.4 p -142.87 11.08 1.81 Allowed 'General case' 0 N--CA 1.497 1.883 0 CA-C-N 114.961 -1.018 . . . . 0.0 109.355 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.5 ptmm? 50.41 30.48 4.62 Favored 'General case' 0 N--CA 1.502 2.162 0 C-N-CA 124.542 1.137 . . . . 0.0 112.948 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.4 mmt85 -117.47 -164.39 0.99 Allowed 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 106.01 -1.848 . . . . 0.0 106.01 179.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.521 ' SG ' ' HB3' ' A' ' 6' ' ' SER . 66.6 m -109.3 172.66 6.72 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 123.885 0.74 . . . . 0.0 109.276 179.587 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.426 ' CZ ' ' HA ' ' A' ' 20' ' ' ASN . 96.5 m-85 . . . . . 0 N--CA 1.497 1.877 0 CA-C-O 121.865 0.841 . . . . 0.0 109.562 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.8 p . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -124.45 114.55 19.62 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 105.571 -2.011 . . . . 0.0 105.571 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.5 m . . . . . 0 N--CA 1.498 1.969 0 N-CA-C 116.856 2.169 . . . . 0.0 116.856 -179.506 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.486 0 CA-C-O 119.384 -0.676 . . . . 0.0 114.497 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.602 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 38.5 t -74.4 124.28 26.22 Favored 'General case' 0 N--CA 1.497 1.903 0 C-N-CA 118.913 -1.115 . . . . 0.0 108.455 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 58.8 m -47.7 93.44 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.926 0 O-C-N 124.843 1.339 . . . . 0.0 114.386 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.619 ' SG ' ' HB2' ' A' ' 12' ' ' SER . 41.8 t -150.62 149.94 30.52 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-N 114.943 -1.026 . . . . 0.0 112.885 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.0 m . . . . . 0 N--CA 1.49 1.528 0 CA-C-N 112.738 -2.028 . . . . 0.0 106.37 179.828 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 71.0 p . . . . . 0 N--CA 1.503 2.196 0 N-CA-C 114.928 1.455 . . . . 0.0 114.928 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.619 ' HB2' ' SG ' ' A' ' 8' ' ' CYS . 66.9 m -60.1 -42.51 94.83 Favored 'General case' 0 N--CA 1.501 2.085 0 C-N-CA 119.977 -0.689 . . . . 0.0 110.834 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.43 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 25.0 m-85 48.27 14.82 0.06 Allowed 'General case' 0 N--CA 1.502 2.148 0 N-CA-C 116.407 2.002 . . . . 0.0 116.407 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 26.2 p30 -68.61 -9.79 51.98 Favored 'General case' 0 N--CA 1.503 2.179 0 C-N-CA 119.13 -1.028 . . . . 0.0 112.244 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.769 ' SG ' ' SG ' ' A' ' 19' ' ' CYS . 63.2 m -72.74 132.58 43.82 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 65.7 m -70.89 -45.99 63.37 Favored 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 105.743 -1.947 . . . . 0.0 105.743 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -86.87 -80.67 0.24 Allowed 'General case' 0 N--CA 1.496 1.841 0 CA-C-N 114.4 -1.273 . . . . 0.0 110.277 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 70.2 m -151.83 161.54 42.49 Favored 'General case' 0 N--CA 1.501 2.103 0 CA-C-O 121.548 0.689 . . . . 0.0 112.83 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.769 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 81.4 m -104.41 103.28 12.97 Favored 'General case' 0 N--CA 1.497 1.922 0 CA-C-N 113.536 -1.665 . . . . 0.0 112.41 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.414 HD22 ' HB2' ' A' ' 22' ' ' TYR . 0.5 OUTLIER . . . . . 0 N--CA 1.495 1.815 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.414 ' HB2' HD22 ' A' ' 20' ' ' ASN . 21.7 m-85 . . . . . 0 N--CA 1.499 2.024 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.9 t -78.38 -6.4 55.08 Favored 'General case' 0 N--CA 1.493 1.706 0 CA-C-N 114.84 -1.073 . . . . 0.0 108.869 179.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 58.8 tttm 60.34 31.3 20.36 Favored 'General case' 0 N--CA 1.493 1.704 0 CA-C-O 122.094 0.95 . . . . 0.0 109.463 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.414 ' HA ' ' H ' ' A' ' 8' ' ' CYS . 84.9 mtt85 -137.45 175.96 9.13 Favored 'General case' 0 N--CA 1.498 1.95 0 CA-C-N 114.417 -1.265 . . . . 0.0 108.643 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.602 ' SG ' ' HB3' ' A' ' 6' ' ' SER . 59.6 m -79.74 163.28 24.61 Favored 'General case' 0 N--CA 1.497 1.915 0 C-N-CA 119.805 -0.758 . . . . 0.0 110.859 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 . . . . . 0 N--CA 1.498 1.951 0 CA-C-O 121.844 0.83 . . . . 0.0 109.538 179.872 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.4 p . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.433 ' HA ' ' HE2' ' A' ' 2' ' ' LYS . 7.9 mmpt? -109.19 114.99 29.17 Favored 'General case' 0 N--CA 1.5 2.03 0 N-CA-C 104.356 -2.461 . . . . 0.0 104.356 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.2 m . . . . . 0 N--CA 1.496 1.852 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 -179.659 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.539 0 CA-C-O 119.734 -0.481 . . . . 0.0 113.685 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.508 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 46.6 t -78.34 133.84 37.54 Favored 'General case' 0 N--CA 1.497 1.895 0 C-N-CA 119.825 -0.75 . . . . 0.0 109.853 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 78.9 p -51.3 128.84 23.41 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 124.307 1.004 . . . . 0.0 111.082 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 27.8 p -149.1 172.03 15.45 Favored 'General case' 0 N--CA 1.493 1.709 0 CA-C-N 114.534 -1.212 . . . . 0.0 109.853 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.0 m . . . . . 0 N--CA 1.494 1.725 0 N-CA-C 105.855 -1.906 . . . . 0.0 105.855 179.933 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.9 t . . . . . 0 N--CA 1.494 1.742 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.7 m -70.03 -38.88 75.98 Favored 'General case' 0 N--CA 1.503 2.185 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 59.79 3.51 0.47 Allowed 'General case' 0 N--CA 1.501 2.119 0 N-CA-C 115.81 1.781 . . . . 0.0 115.81 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -63.64 -27.65 69.38 Favored 'General case' 0 N--CA 1.502 2.174 0 C-N-CA 119.672 -0.811 . . . . 0.0 110.826 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 76.8 m -65.4 110.35 2.62 Favored 'General case' 0 N--CA 1.49 1.533 0 CA-C-N 114.889 -1.05 . . . . 0.0 111.392 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 61.2 m -58.72 -42.96 89.9 Favored 'General case' 0 N--CA 1.502 2.132 0 N-CA-C 105.724 -1.954 . . . . 0.0 105.724 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 59.4 ttm-85 -80.99 -93.62 0.05 OUTLIER 'General case' 0 N--CA 1.487 1.396 0 CA-C-N 112.58 -2.1 . . . . 0.0 110.058 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.8 m -151.79 164.92 36.0 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 123.669 0.605 . . . . 0.0 110.487 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 50.8 t -98.66 103.39 15.33 Favored 'General case' 0 N--CA 1.494 1.731 0 CA-C-N 114.968 -1.015 . . . . 0.0 112.389 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.495 1.801 0 CA-C-N 114.727 -1.124 . . . . 0.0 108.491 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 . . . . . 0 N--CA 1.501 2.091 0 CA-C-O 120.708 0.289 . . . . 0.0 111.6 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.6 t -153.24 -0.07 0.25 Allowed 'General case' 0 N--CA 1.495 1.813 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.955 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 96.1 mttt 62.58 37.98 12.68 Favored 'General case' 0 N--CA 1.501 2.077 0 CA-C-O 121.746 0.784 . . . . 0.0 110.853 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -139.66 -178.69 5.52 Favored 'General case' 0 N--CA 1.501 2.12 0 N-CA-C 106.411 -1.7 . . . . 0.0 106.411 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.508 ' SG ' ' HB3' ' A' ' 6' ' ' SER . 49.6 m -86.61 172.0 10.59 Favored 'General case' 0 N--CA 1.496 1.854 0 C-N-CA 119.526 -0.869 . . . . 0.0 109.789 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 . . . . . 0 N--CA 1.506 2.355 0 CA-C-O 121.73 0.776 . . . . 0.0 112.713 -179.992 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 24.4 p . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 121.702 0.763 . . . . 0.0 111.346 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.448 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 54.8 mttp -88.49 -167.51 1.9 Allowed 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 105.722 -1.955 . . . . 0.0 105.722 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.2 m . . . . . 0 N--CA 1.501 2.11 0 CA-C-O 118.333 -0.842 . . . . 0.0 111.28 179.646 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.836 0 N-CA-C 113.859 0.304 . . . . 0.0 113.859 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.652 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 59.0 m -78.38 146.05 34.84 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 77.4 p -57.01 90.75 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 116.196 1.925 . . . . 0.0 116.196 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.584 ' SG ' ' HB2' ' A' ' 12' ' ' SER . 43.8 t -150.69 139.94 21.27 Favored 'General case' 0 N--CA 1.499 1.996 0 CA-C-N 114.774 -1.103 . . . . 0.0 108.856 179.603 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.8 m . . . . . 0 N--CA 1.494 1.738 0 O-C-N 124.026 0.829 . . . . 0.0 111.883 179.864 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 76.0 p . . . . . 0 N--CA 1.487 1.38 0 N-CA-C 107.853 -1.166 . . . . 0.0 107.853 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.584 ' HB2' ' SG ' ' A' ' 8' ' ' CYS . 48.5 m -59.07 -18.6 36.6 Favored 'General case' 0 N--CA 1.505 2.321 0 C-N-CA 120.055 -0.658 . . . . 0.0 111.243 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 56.47 10.1 0.63 Allowed 'General case' 0 N--CA 1.5 2.061 0 N-CA-C 115.013 1.486 . . . . 0.0 115.013 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -63.63 -55.92 19.86 Favored 'General case' 0 N--CA 1.496 1.844 0 C-N-CA 119.694 -0.802 . . . . 0.0 110.093 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.652 ' SG ' ' HB2' ' A' ' 6' ' ' SER . 81.0 m -84.82 121.17 27.33 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 124.562 1.164 . . . . 0.0 113.618 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.7 m -68.3 -24.65 64.88 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 124.344 1.027 . . . . 0.0 111.771 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 64.9 ttt-85 -77.09 -85.82 0.06 Allowed 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 119.733 -0.787 . . . . 0.0 109.887 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 63.7 m -151.52 160.09 43.85 Favored 'General case' 0 N--CA 1.504 2.25 0 O-C-N 123.221 0.326 . . . . 0.0 111.193 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 87.2 m -118.92 103.7 9.84 Favored 'General case' 0 N--CA 1.501 2.12 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.439 ' HA ' ' CE2' ' A' ' 27' ' ' TYR . 2.1 t30 . . . . . 0 N--CA 1.496 1.837 0 CA-C-N 113.582 -1.644 . . . . 0.0 111.268 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 . . . . . 0 N--CA 1.499 1.979 0 CA-C-O 120.722 0.296 . . . . 0.0 110.7 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 82.2 p -142.27 -2.57 1.11 Allowed 'General case' 0 N--CA 1.499 2.011 0 CA-C-N 115.197 -0.91 . . . . 0.0 108.736 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt 66.25 26.41 10.42 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 124.674 1.234 . . . . 0.0 110.876 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -117.73 -172.27 2.21 Favored 'General case' 0 N--CA 1.498 1.954 0 CA-C-N 113.952 -1.476 . . . . 0.0 107.555 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.556 ' SG ' ' HB3' ' A' ' 8' ' ' CYS . 84.5 m -105.32 170.44 7.88 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 179.49 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.439 ' CE2' ' HA ' ' A' ' 20' ' ' ASN . 96.5 m-85 . . . . . 0 N--CA 1.499 1.986 0 CA-C-O 121.828 0.823 . . . . 0.0 110.415 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.7 p . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.438 0.637 . . . . 0.0 109.679 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.414 ' N ' ' HD2' ' A' ' 2' ' ' LYS . 9.6 mptt -128.92 -173.2 2.91 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 106.434 -1.691 . . . . 0.0 106.434 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.1 m . . . . . 0 N--CA 1.501 2.081 0 CA-C-O 118.961 -0.542 . . . . 0.0 111.712 179.92 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 3.034 0 N-CA-C 119.314 2.486 . . . . 0.0 119.314 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.642 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 32.2 t -81.42 122.36 27.4 Favored 'General case' 0 N--CA 1.505 2.325 0 CA-C-N 119.723 1.761 . . . . 0.0 109.468 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 74.2 p -50.72 98.33 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.776 0 O-C-N 125.036 1.46 . . . . 0.0 114.366 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.866 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 24.5 p -150.29 153.15 35.63 Favored 'General case' 0 N--CA 1.493 1.706 0 CA-C-N 114.253 -1.34 . . . . 0.0 110.183 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 73.3 m . . . . . 0 N--CA 1.493 1.698 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 -179.801 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.5 p . . . . . 0 N--CA 1.497 1.882 0 N-CA-C 114.367 1.247 . . . . 0.0 114.367 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 64.7 m -59.05 -47.14 86.33 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 123.668 0.605 . . . . 0.0 110.444 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 51.36 16.75 0.44 Allowed 'General case' 0 N--CA 1.504 2.249 0 N-CA-C 115.13 1.53 . . . . 0.0 115.13 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 35.7 p30 -74.16 1.85 10.31 Favored 'General case' 0 N--CA 1.5 2.049 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.866 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 38.5 m -115.7 126.87 54.66 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 123.881 0.738 . . . . 0.0 110.12 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 63.1 m -72.95 -23.92 60.74 Favored 'General case' 0 N--CA 1.501 2.092 0 C-N-CA 118.483 -1.287 . . . . 0.0 108.875 179.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 57.2 ttt-85 -81.25 -102.1 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 58.8 m -153.65 172.43 17.26 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 71.7 m -117.94 115.04 24.11 Favored 'General case' 0 N--CA 1.497 1.922 0 N-CA-C 114.852 1.427 . . . . 0.0 114.852 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.537 HD21 ' H ' ' A' ' 23' ' ' THR . 1.8 t30 . . . . . 0 N--CA 1.489 1.508 0 CA-C-N 112.877 -1.965 . . . . 0.0 108.288 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.44 ' HB2' HD22 ' A' ' 20' ' ' ASN . 31.3 m-85 . . . . . 0 N--CA 1.5 2.031 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.537 ' H ' HD21 ' A' ' 20' ' ' ASN . 77.4 p -109.0 -15.92 14.25 Favored 'General case' 0 N--CA 1.496 1.855 0 CA-C-N 114.281 -1.327 . . . . 0.0 110.299 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.46 ' HD2' ' N ' ' A' ' 24' ' ' LYS . 10.8 mptt 62.43 38.34 12.88 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 124.73 1.269 . . . . 0.0 108.895 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 48.5 mtm180 -141.86 173.46 11.49 Favored 'General case' 0 N--CA 1.501 2.088 0 CA-C-N 113.94 -1.482 . . . . 0.0 108.878 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.642 ' SG ' ' HB3' ' A' ' 6' ' ' SER . 47.5 m -65.89 156.39 33.55 Favored 'General case' 0 N--CA 1.506 2.371 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 179.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.414 ' CZ ' ' HA ' ' A' ' 20' ' ' ASN . 85.3 m-85 . . . . . 0 N--CA 1.506 2.35 0 C-N-CA 118.388 -1.325 . . . . 0.0 109.854 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.4 p . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.428 ' HB3' ' CB ' ' A' ' 6' ' ' SER . 75.8 mmtt -133.92 97.83 3.99 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 123.636 0.585 . . . . 0.0 111.277 -179.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.1 m . . . . . 0 N--CA 1.497 1.92 0 N-CA-C 114.314 1.227 . . . . 0.0 114.314 -179.741 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.561 0 CA-C-O 120.166 -0.241 . . . . 0.0 113.142 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.582 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 50.1 m -71.42 -162.43 0.08 Allowed 'General case' 0 N--CA 1.493 1.689 0 CA-C-O 118.806 -0.616 . . . . 0.0 109.771 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 57.0 m -104.2 91.92 4.14 Favored 'General case' 0 N--CA 1.504 2.272 0 N-CA-C 114.782 1.401 . . . . 0.0 114.782 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.505 ' SG ' ' HB2' ' A' ' 12' ' ' SER . 51.5 t -151.98 126.24 9.29 Favored 'General case' 0 N--CA 1.499 1.984 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.793 179.663 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.0 m . . . . . 0 N--CA 1.493 1.701 0 O-C-N 123.981 0.801 . . . . 0.0 112.945 179.95 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.472 ' HG1' ' HH ' ' A' ' 13' ' ' TYR . 8.9 t . . . . . 0 N--CA 1.485 1.294 0 N-CA-C 106.258 -1.756 . . . . 0.0 106.258 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.505 ' HB2' ' SG ' ' A' ' 8' ' ' CYS . 50.0 m -53.82 -14.3 0.93 Allowed 'General case' 0 N--CA 1.505 2.308 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.472 ' HH ' ' HG1' ' A' ' 11' ' ' THR . 49.4 m-85 63.65 0.07 0.82 Allowed 'General case' 0 N--CA 1.501 2.116 0 N-CA-C 115.213 1.56 . . . . 0.0 115.213 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.5 p30 -64.77 -19.74 65.98 Favored 'General case' 0 N--CA 1.499 2.02 0 C-N-CA 119.439 -0.904 . . . . 0.0 110.2 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.719 ' SG ' ' SG ' ' A' ' 19' ' ' CYS . 67.8 m -74.4 159.61 32.1 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 123.935 0.772 . . . . 0.0 109.357 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 63.3 m -79.35 -44.28 21.85 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.2 mmt85 -96.67 -82.65 0.4 Allowed 'General case' 0 N--CA 1.492 1.644 0 CA-C-N 114.283 -1.326 . . . . 0.0 109.773 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 70.3 m -149.41 169.25 21.29 Favored 'General case' 0 N--CA 1.499 2.016 0 CA-C-O 121.488 0.661 . . . . 0.0 112.383 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.719 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 72.3 m -107.5 102.12 11.41 Favored 'General case' 0 N--CA 1.496 1.862 0 CA-C-N 113.513 -1.676 . . . . 0.0 112.72 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.435 HD22 ' HB2' ' A' ' 22' ' ' TYR . 0.5 OUTLIER . . . . . 0 N--CA 1.494 1.757 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.435 ' HB2' HD22 ' A' ' 20' ' ' ASN . 15.6 m-85 . . . . . 0 N--CA 1.499 2.015 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.8 t -105.57 -4.57 21.01 Favored 'General case' 0 N--CA 1.493 1.71 0 CA-C-N 114.092 -1.413 . . . . 0.0 108.264 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.445 ' HD2' ' N ' ' A' ' 24' ' ' LYS . 0.4 OUTLIER 65.26 29.39 11.71 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 124.79 1.306 . . . . 0.0 113.262 179.815 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 71.3 mtm180 -123.43 175.21 6.88 Favored 'General case' 0 N--CA 1.495 1.804 0 CA-C-N 113.789 -1.55 . . . . 0.0 108.186 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.582 ' SG ' ' HB2' ' A' ' 6' ' ' SER . 80.0 m -86.21 178.77 7.08 Favored 'General case' 0 N--CA 1.502 2.167 0 C-N-CA 119.258 -0.977 . . . . 0.0 109.255 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 . . . . . 0 N--CA 1.502 2.169 0 CA-C-O 121.612 0.72 . . . . 0.0 110.893 179.906 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.4 p . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.424 ' HB3' ' CB ' ' A' ' 6' ' ' SER . 47.7 mmtm -135.64 99.23 4.14 Favored 'General case' 0 N--CA 1.502 2.175 0 O-C-N 123.614 0.571 . . . . 0.0 111.277 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.5 m . . . . . 0 N--CA 1.496 1.87 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 -179.739 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.361 0 N-CA-C 115.477 0.951 . . . . 0.0 115.477 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.553 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 44.6 t -84.97 127.4 34.17 Favored 'General case' 0 N--CA 1.498 1.929 0 C-N-CA 119.035 -1.066 . . . . 0.0 109.685 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 68.9 m -34.93 84.72 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.155 0 N-CA-C 116.905 2.187 . . . . 0.0 116.905 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.58 ' SG ' ' HB2' ' A' ' 12' ' ' SER . 53.8 t -152.15 154.76 36.49 Favored 'General case' 0 N--CA 1.498 1.943 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.118 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.9 m . . . . . 0 N--CA 1.494 1.731 0 N-CA-C 115.632 1.716 . . . . 0.0 115.632 -179.92 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 86.1 m . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 106.516 -1.661 . . . . 0.0 106.516 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.58 ' HB2' ' SG ' ' A' ' 8' ' ' CYS . 53.1 m -62.65 -19.87 64.24 Favored 'General case' 0 N--CA 1.503 2.199 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 58.17 2.91 0.21 Allowed 'General case' 0 N--CA 1.505 2.301 0 N-CA-C 114.967 1.469 . . . . 0.0 114.967 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 28.3 p30 -62.74 -15.62 53.95 Favored 'General case' 0 N--CA 1.499 1.978 0 C-N-CA 120.234 -0.586 . . . . 0.0 111.648 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.712 ' SG ' ' SG ' ' A' ' 19' ' ' CYS . 64.6 m -84.08 159.26 21.18 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.192 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 61.6 m -81.22 -50.53 9.45 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 105.71 -1.959 . . . . 0.0 105.71 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.5 tpt180 -82.29 -85.31 0.11 Allowed 'General case' 0 N--CA 1.491 1.578 0 CA-C-N 114.03 -1.441 . . . . 0.0 107.967 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 71.1 m -155.51 170.53 21.74 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 123.994 0.808 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.712 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 85.9 m -104.84 100.27 9.9 Favored 'General case' 0 N--CA 1.496 1.844 0 CA-C-N 113.736 -1.575 . . . . 0.0 110.547 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.552 HD21 ' H ' ' A' ' 23' ' ' THR . 0.9 OUTLIER . . . . . 0 N--CA 1.494 1.775 0 CA-C-N 114.979 -1.009 . . . . 0.0 108.7 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 . . . . . 0 N--CA 1.499 2.019 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.552 ' H ' HD21 ' A' ' 20' ' ' ASN . 66.8 p -93.08 -9.67 38.77 Favored 'General case' 0 N--CA 1.494 1.761 0 CA-C-N 114.083 -1.417 . . . . 0.0 108.897 179.716 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.24 30.59 19.98 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 105.87 -1.9 . . . . 0.0 105.87 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.478 ' HA ' ' H ' ' A' ' 8' ' ' CYS . 90.2 mtt-85 -139.65 172.79 12.28 Favored 'General case' 0 N--CA 1.496 1.871 0 CA-C-N 113.683 -1.599 . . . . 0.0 110.298 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.553 ' SG ' ' HB3' ' A' ' 6' ' ' SER . 64.5 m -80.75 -176.93 6.08 Favored 'General case' 0 N--CA 1.5 2.07 0 C-N-CA 119.986 -0.685 . . . . 0.0 111.538 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 . . . . . 0 N--CA 1.497 1.875 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.159 179.971 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.6 p . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -131.2 111.27 11.78 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 123.856 0.723 . . . . 0.0 110.592 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.8 m . . . . . 0 N--CA 1.495 1.781 0 CA-C-O 117.435 -1.269 . . . . 0.0 113.448 -179.88 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 3.049 0 N-CA-C 117.612 1.805 . . . . 0.0 117.612 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.583 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 47.7 t -66.5 113.15 4.5 Favored 'General case' 0 N--CA 1.498 1.973 0 C-N-CA 118.85 -1.14 . . . . 0.0 109.405 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 74.5 p -51.84 95.6 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.804 0 O-C-N 125.146 1.529 . . . . 0.0 113.439 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.823 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 31.6 p -150.76 164.36 36.38 Favored 'General case' 0 N--CA 1.491 1.606 0 CA-C-N 114.526 -1.215 . . . . 0.0 111.038 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.7 m . . . . . 0 N--CA 1.492 1.636 0 CA-C-N 114.275 -1.33 . . . . 0.0 109.364 179.922 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.6 t . . . . . 0 N--CA 1.498 1.938 0 CA-C-O 120.642 0.258 . . . . 0.0 111.624 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.1 m -58.29 -50.62 72.97 Favored 'General case' 0 N--CA 1.498 1.933 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.655 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 59.76 8.41 1.33 Allowed 'General case' 0 N--CA 1.502 2.137 0 O-C-N 124.709 1.255 . . . . 0.0 112.895 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 47.3 p30 -71.46 -4.17 25.11 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.823 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 61.5 m -87.06 156.95 19.53 Favored 'General case' 0 N--CA 1.493 1.679 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.63 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 60.5 m -76.72 -40.72 47.68 Favored 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 104.251 -2.5 . . . . 0.0 104.251 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 25.4 tpt180 -90.82 -93.8 0.13 Allowed 'General case' 0 N--CA 1.49 1.559 0 CA-C-N 113.244 -1.798 . . . . 0.0 106.772 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.9 m -157.07 179.25 9.47 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 123.767 0.667 . . . . 0.0 109.462 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.623 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 98.2 m -107.6 103.2 12.45 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 123.991 0.807 . . . . 0.0 111.703 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.47 ' ND2' ' H ' ' A' ' 22' ' ' TYR . 2.8 t30 . . . . . 0 N--CA 1.497 1.885 0 CA-C-N 114.81 -1.087 . . . . 0.0 110.398 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.47 ' H ' ' ND2' ' A' ' 20' ' ' ASN . 19.1 m-85 . . . . . 0 N--CA 1.5 2.033 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.0 t -105.63 -10.79 16.62 Favored 'General case' 0 N--CA 1.492 1.656 0 CA-C-N 114.258 -1.337 . . . . 0.0 108.812 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 60.8 mttp 61.47 45.76 8.1 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 124.564 1.165 . . . . 0.0 110.098 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 90.9 mtt-85 -142.67 162.45 35.44 Favored 'General case' 0 N--CA 1.498 1.973 0 CA-C-N 113.248 -1.797 . . . . 0.0 107.319 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.583 ' SG ' ' HB3' ' A' ' 6' ' ' SER . 69.2 m -63.36 153.52 34.78 Favored 'General case' 0 N--CA 1.5 2.056 0 C-N-CA 119.568 -0.853 . . . . 0.0 111.533 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 . . . . . 0 N--CA 1.502 2.154 0 CA-C-O 122.126 0.965 . . . . 0.0 111.182 179.887 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 32.0 p . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -118.44 118.97 33.18 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 106.338 -1.727 . . . . 0.0 106.338 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.0 m . . . . . 0 N--CA 1.498 1.945 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 -179.75 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.705 0 CA-C-O 120.319 -0.156 . . . . 0.0 113.26 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.411 ' OG ' ' SG ' ' A' ' 26' ' ' CYS . 61.6 p -88.15 126.71 35.27 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-O 121.275 0.56 . . . . 0.0 110.271 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 52.7 m -43.24 128.65 4.73 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 115.368 1.618 . . . . 0.0 115.368 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 40.7 t -147.34 144.73 28.97 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-N 113.619 -1.628 . . . . 0.0 109.442 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.445 ' H ' ' HG ' ' A' ' 12' ' ' SER . 49.8 m . . . . . 0 N--CA 1.493 1.709 0 N-CA-C 107.667 -1.235 . . . . 0.0 107.667 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.8 p . . . . . 0 N--CA 1.496 1.853 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.445 ' HG ' ' H ' ' A' ' 9' ' ' SER . 64.0 m -76.9 -35.1 57.62 Favored 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 55.96 13.36 1.11 Allowed 'General case' 0 N--CA 1.501 2.105 0 O-C-N 124.661 1.226 . . . . 0.0 113.609 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -76.36 -41.08 49.32 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.447 ' SG ' ' HA ' ' A' ' 19' ' ' CYS . 63.8 m -51.63 107.94 0.23 Allowed 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 63.3 m -66.19 -45.44 80.82 Favored 'General case' 0 N--CA 1.5 2.07 0 N-CA-C 105.546 -2.02 . . . . 0.0 105.546 179.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.1 tpp180 -83.34 -86.38 0.11 Allowed 'General case' 0 N--CA 1.491 1.598 0 CA-C-N 113.313 -1.767 . . . . 0.0 109.698 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 69.9 m -150.1 167.47 26.71 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 123.741 0.651 . . . . 0.0 111.117 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.447 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 51.8 t -97.21 109.88 22.54 Favored 'General case' 0 N--CA 1.497 1.903 0 CA-C-N 114.332 -1.303 . . . . 0.0 111.34 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.424 HD21 ' C ' ' A' ' 20' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.496 1.845 0 O-C-N 124.521 1.138 . . . . 0.0 108.002 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 . . . . . 0 N--CA 1.496 1.859 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.7 t -119.13 -2.76 10.68 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-N 114.146 -1.388 . . . . 0.0 110.451 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 60.0 mttp 75.13 19.05 2.36 Favored 'General case' 0 N--CA 1.506 2.329 0 N-CA-C 115.738 1.755 . . . . 0.0 115.738 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? -130.0 -168.22 1.93 Allowed 'General case' 0 N--CA 1.504 2.255 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 179.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.411 ' SG ' ' OG ' ' A' ' 6' ' ' SER . 63.0 m -95.44 168.15 10.88 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 . . . . . 0 N--CA 1.496 1.872 0 CA-C-O 121.877 0.846 . . . . 0.0 110.022 179.864 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 22.7 p . . . . . 0 N--CA 1.489 1.482 0 CA-C-O 121.352 0.596 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -89.12 -159.01 0.53 Allowed 'General case' 0 N--CA 1.5 2.071 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.6 m . . . . . 0 N--CA 1.502 2.161 0 CA-C-O 118.001 -0.999 . . . . 0.0 111.822 179.502 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.79 0 N-CA-C 112.92 -0.072 . . . . 0.0 112.92 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.505 ' OG ' ' SG ' ' A' ' 15' ' ' CYS . 53.8 p -81.76 127.82 33.36 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 51.1 m -50.38 133.65 24.15 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 114.363 1.246 . . . . 0.0 114.363 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 27.4 p -150.38 -172.63 4.23 Favored 'General case' 0 N--CA 1.496 1.839 0 CA-C-N 113.755 -1.566 . . . . 0.0 107.571 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.2 m . . . . . 0 N--CA 1.501 2.099 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 -179.906 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 86.9 m . . . . . 0 N--CA 1.494 1.773 0 N-CA-C 105.37 -2.085 . . . . 0.0 105.37 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.2 m -66.87 -3.77 7.73 Favored 'General case' 0 N--CA 1.497 1.919 0 CA-C-N 114.044 -1.434 . . . . 0.0 112.9 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 59.16 9.86 1.47 Allowed 'General case' 0 N--CA 1.503 2.219 0 O-C-N 123.947 0.779 . . . . 0.0 112.618 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.552 ' H ' HD21 ' A' ' 14' ' ' ASN . 1.0 OUTLIER -60.42 -26.44 66.7 Favored 'General case' 0 N--CA 1.497 1.914 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.797 179.903 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.505 ' SG ' ' OG ' ' A' ' 6' ' ' SER . 77.1 m -107.01 175.91 5.35 Favored 'General case' 0 N--CA 1.489 1.496 0 CA-C-N 114.475 -1.239 . . . . 0.0 111.528 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.9 m -90.56 -46.94 7.99 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-N 113.221 -1.809 . . . . 0.0 107.886 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -75.09 -103.51 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 CA-C-N 114.115 -1.402 . . . . 0.0 111.517 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 68.5 m -152.61 176.23 11.95 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 123.686 0.616 . . . . 0.0 110.217 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.4 t -101.61 105.86 16.85 Favored 'General case' 0 N--CA 1.493 1.702 0 CA-C-N 114.778 -1.101 . . . . 0.0 113.734 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.4 t30 . . . . . 0 N--CA 1.493 1.678 0 N-CA-C 106.972 -1.492 . . . . 0.0 106.972 179.494 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 . . . . . 0 N--CA 1.495 1.785 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 76.7 p -114.89 -5.72 12.59 Favored 'General case' 0 N--CA 1.494 1.75 0 CA-C-N 114.143 -1.39 . . . . 0.0 109.734 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.478 ' HD2' ' N ' ' A' ' 24' ' ' LYS . 11.0 mptt 63.47 28.59 15.41 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 124.525 1.14 . . . . 0.0 110.571 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 62.0 mtm180 -129.86 175.93 8.45 Favored 'General case' 0 N--CA 1.5 2.045 0 N-CA-C 105.196 -2.15 . . . . 0.0 105.196 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 72.6 m -91.96 170.18 10.06 Favored 'General case' 0 N--CA 1.499 2.003 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 . . . . . 0 N--CA 1.499 2.015 0 CA-C-O 122.258 1.028 . . . . 0.0 113.164 -179.725 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.4 p . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -142.93 104.8 4.37 Favored 'General case' 0 N--CA 1.504 2.25 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.0 m . . . . . 0 N--CA 1.496 1.834 0 CA-C-O 117.624 -1.179 . . . . 0.0 113.213 -179.988 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.763 0 N-CA-C 117.232 1.653 . . . . 0.0 117.232 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.593 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 44.4 t -76.25 135.06 39.66 Favored 'General case' 0 N--CA 1.5 2.069 0 C-N-CA 118.286 -1.365 . . . . 0.0 109.024 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 55.6 m -54.76 92.84 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.737 0 O-C-N 125.198 1.561 . . . . 0.0 115.184 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.614 ' SG ' ' HB2' ' A' ' 12' ' ' SER . 53.2 t -150.39 143.89 25.12 Favored 'General case' 0 N--CA 1.494 1.737 0 CA-C-N 114.896 -1.047 . . . . 0.0 108.737 179.533 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.3 m . . . . . 0 N--CA 1.492 1.667 0 O-C-N 124.117 0.886 . . . . 0.0 112.027 179.931 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 74.4 p . . . . . 0 N--CA 1.488 1.465 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.614 ' HB2' ' SG ' ' A' ' 8' ' ' CYS . 57.2 m -66.46 -26.71 67.33 Favored 'General case' 0 N--CA 1.504 2.235 0 C-N-CA 119.144 -1.022 . . . . 0.0 108.642 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 44.38 19.56 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.058 0 N-CA-C 117.939 2.57 . . . . 0.0 117.939 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 24.0 p30 -72.79 1.0 9.37 Favored 'General case' 0 N--CA 1.501 2.115 0 C-N-CA 118.928 -1.109 . . . . 0.0 110.797 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.598 ' SG ' ' SG ' ' A' ' 19' ' ' CYS . 57.7 m -89.38 156.39 18.72 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 123.843 0.715 . . . . 0.0 111.438 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 65.2 m -86.36 -49.61 7.52 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 105.711 -1.959 . . . . 0.0 105.711 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 57.2 ttt85 -81.96 -85.4 0.11 Allowed 'General case' 0 N--CA 1.49 1.561 0 CA-C-N 113.591 -1.64 . . . . 0.0 109.351 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 69.2 m -150.14 169.63 20.84 Favored 'General case' 0 N--CA 1.495 1.793 0 CA-C-O 121.656 0.741 . . . . 0.0 111.574 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.598 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 92.4 m -104.28 99.1 8.81 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-N 113.415 -1.72 . . . . 0.0 112.115 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.6 t30 . . . . . 0 N--CA 1.495 1.795 0 CA-C-N 113.986 -1.461 . . . . 0.0 109.776 179.967 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 . . . . . 0 N--CA 1.499 2.0 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 71.5 p -118.2 -12.61 9.96 Favored 'General case' 0 N--CA 1.499 1.995 0 CA-C-N 114.501 -1.227 . . . . 0.0 109.41 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.542 ' HE2' ' N ' ' A' ' 24' ' ' LYS . 0.1 OUTLIER 83.69 16.13 0.27 Allowed 'General case' 0 N--CA 1.501 2.087 0 C-N-CA 126.161 1.785 . . . . 0.0 111.274 -179.782 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -119.19 -168.64 1.6 Allowed 'General case' 0 N--CA 1.502 2.143 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.678 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.593 ' SG ' ' HB3' ' A' ' 6' ' ' SER . 70.1 m -93.67 165.15 12.85 Favored 'General case' 0 N--CA 1.498 1.974 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 179.578 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 . . . . . 0 N--CA 1.499 2.002 0 C-N-CA 119.577 -0.849 . . . . 0.0 110.146 179.85 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.1 p . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.908 0.861 . . . . 0.0 110.059 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.565 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 14.3 mmmm -104.29 179.38 4.29 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 104.304 -2.48 . . . . 0.0 104.304 179.433 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.9 m . . . . . 0 N--CA 1.502 2.125 0 CA-C-O 118.239 -0.886 . . . . 0.0 112.539 179.81 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.437 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.647 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 31.9 t -84.21 117.55 23.59 Favored 'General case' 0 N--CA 1.502 2.125 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 77.3 p -43.9 83.57 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.131 0 N-CA-C 116.957 2.206 . . . . 0.0 116.957 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.805 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 30.6 p -151.81 170.43 19.81 Favored 'General case' 0 N--CA 1.497 1.893 0 CA-C-N 115.326 -0.852 . . . . 0.0 112.156 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.3 m . . . . . 0 N--CA 1.493 1.692 0 CA-C-N 114.594 -1.185 . . . . 0.0 113.127 179.749 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 76.2 p . . . . . 0 N--CA 1.492 1.647 0 N-CA-C 110.394 -0.224 . . . . 0.0 110.394 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.6 m -59.98 -49.72 76.58 Favored 'General case' 0 N--CA 1.501 2.101 0 C-N-CA 119.925 -0.71 . . . . 0.0 110.256 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 55.59 15.9 1.69 Allowed 'General case' 0 N--CA 1.501 2.1 0 N-CA-C 114.551 1.315 . . . . 0.0 114.551 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -64.33 -31.1 72.16 Favored 'General case' 0 N--CA 1.502 2.154 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.989 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.647 ' SG ' ' HB3' ' A' ' 6' ' ' SER . 79.1 m -93.44 142.69 27.04 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 123.859 0.724 . . . . 0.0 110.113 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 64.5 m -72.03 -15.78 62.04 Favored 'General case' 0 N--CA 1.496 1.828 0 C-N-CA 119.627 -0.829 . . . . 0.0 109.766 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.7 mmt85 -88.06 -108.98 0.07 Allowed 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 107.281 -1.378 . . . . 0.0 107.281 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.6 m -151.8 165.47 34.36 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 123.264 0.352 . . . . 0.0 110.248 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 97.7 m -104.88 102.23 11.78 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 124.382 1.051 . . . . 0.0 112.371 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.465 HD21 ' HG1' ' A' ' 23' ' ' THR . 10.4 t30 . . . . . 0 N--CA 1.497 1.886 0 CA-C-N 114.805 -1.089 . . . . 0.0 109.96 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.435 ' HB2' HD22 ' A' ' 20' ' ' ASN . 19.4 m-85 . . . . . 0 N--CA 1.499 2.021 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.465 ' HG1' HD21 ' A' ' 20' ' ' ASN . 67.1 p -95.02 -9.87 32.56 Favored 'General case' 0 N--CA 1.494 1.735 0 CA-C-N 114.2 -1.364 . . . . 0.0 110.615 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.2 tttp 61.44 35.73 17.58 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 107.342 -1.355 . . . . 0.0 107.342 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 43.0 mtm105 -142.42 161.89 36.87 Favored 'General case' 0 N--CA 1.5 2.045 0 CA-C-N 113.991 -1.458 . . . . 0.0 108.453 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.805 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 80.7 m -72.82 169.28 17.11 Favored 'General case' 0 N--CA 1.496 1.838 0 C-N-CA 119.453 -0.899 . . . . 0.0 111.887 179.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 . . . . . 0 N--CA 1.498 1.929 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.409 179.984 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 30.1 p . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.486 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 65.9 mttm -150.79 -161.81 1.42 Allowed 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 103.885 -2.635 . . . . 0.0 103.885 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.2 m . . . . . 0 N--CA 1.504 2.242 0 N-CA-C 113.326 0.862 . . . . 0.0 113.326 179.622 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.732 0 N-CA-C 114.279 0.472 . . . . 0.0 114.279 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.527 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 39.0 t -81.31 139.71 35.23 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 77.4 p -45.36 84.09 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.1 0 N-CA-C 115.297 1.591 . . . . 0.0 115.297 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.599 ' SG ' ' HB2' ' A' ' 12' ' ' SER . 51.4 t -151.41 135.08 16.32 Favored 'General case' 0 N--CA 1.493 1.683 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.013 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.8 m . . . . . 0 N--CA 1.495 1.82 0 N-CA-C 113.291 0.848 . . . . 0.0 113.291 179.963 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.413 ' C ' ' H ' ' A' ' 13' ' ' TYR . 88.8 m . . . . . 0 N--CA 1.483 1.21 0 N-CA-C 104.81 -2.292 . . . . 0.0 104.81 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.599 ' HB2' ' SG ' ' A' ' 8' ' ' CYS . 51.0 m -60.33 0.05 0.21 Allowed 'General case' 0 N--CA 1.51 2.526 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.413 ' H ' ' C ' ' A' ' 11' ' ' THR . 68.6 m-85 60.97 23.92 14.02 Favored 'General case' 0 N--CA 1.503 2.179 0 C-N-CA 123.474 0.71 . . . . 0.0 112.758 179.751 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -78.25 -57.68 3.65 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-N 115.21 -0.904 . . . . 0.0 111.534 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.527 ' SG ' ' HB3' ' A' ' 6' ' ' SER . 82.2 m -102.38 136.17 42.68 Favored 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 114.491 1.293 . . . . 0.0 114.491 -179.677 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.7 m -69.49 -22.57 63.61 Favored 'General case' 0 N--CA 1.499 2.009 0 CA-C-N 114.739 -1.118 . . . . 0.0 109.641 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.9 mmt180 -73.19 -96.77 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 107.3 -1.37 . . . . 0.0 107.3 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.7 m -155.65 156.88 35.76 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 95.2 m -107.75 103.03 12.21 Favored 'General case' 0 N--CA 1.491 1.604 0 CA-C-N 114.265 -1.334 . . . . 0.0 111.04 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.453 HD22 ' HB2' ' A' ' 22' ' ' TYR . 1.3 t30 . . . . . 0 N--CA 1.491 1.585 0 CA-C-N 113.868 -1.515 . . . . 0.0 111.087 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.453 ' HB2' HD22 ' A' ' 20' ' ' ASN . 72.9 m-85 . . . . . 0 N--CA 1.5 2.029 0 CA-C-O 120.565 0.221 . . . . 0.0 111.428 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 68.7 p -140.7 -12.15 1.0 Allowed 'General case' 0 N--CA 1.5 2.027 0 O-C-N 123.969 0.793 . . . . 0.0 109.436 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt 67.07 27.3 8.71 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 124.795 1.309 . . . . 0.0 109.508 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.441 ' HA ' ' H ' ' A' ' 8' ' ' CYS . 81.7 mtt85 -129.81 178.33 6.6 Favored 'General case' 0 N--CA 1.496 1.87 0 CA-C-N 113.232 -1.804 . . . . 0.0 107.121 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 62.7 m -91.66 -176.35 4.45 Favored 'General case' 0 N--CA 1.496 1.838 0 CA-C-N 119.111 0.869 . . . . 0.0 110.743 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 . . . . . 0 N--CA 1.497 1.909 0 CA-C-O 121.758 0.79 . . . . 0.0 109.203 179.702 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.0 p . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.453 ' N ' ' HD2' ' A' ' 2' ' ' LYS . 1.9 mptp? -107.79 124.98 50.86 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 103.638 -2.727 . . . . 0.0 103.638 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.2 m . . . . . 0 N--CA 1.507 2.377 0 N-CA-C 116.159 1.911 . . . . 0.0 116.159 -179.656 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.818 0 N-CA-C 113.605 0.202 . . . . 0.0 113.605 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.616 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 44.7 m -81.82 114.02 20.16 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 53.6 m -45.32 90.26 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.065 0 N-CA-C 116.991 2.219 . . . . 0.0 116.991 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.908 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 28.4 p -151.45 171.1 18.07 Favored 'General case' 0 N--CA 1.495 1.79 0 CA-C-N 114.985 -1.007 . . . . 0.0 112.264 179.634 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.6 m . . . . . 0 N--CA 1.494 1.733 0 CA-C-N 114.066 -1.425 . . . . 0.0 107.357 179.857 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.427 ' HA ' ' CZ ' ' A' ' 13' ' ' TYR . 72.3 p . . . . . 0 N--CA 1.497 1.893 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.0 m -64.57 -43.46 93.83 Favored 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.427 ' CZ ' ' HA ' ' A' ' 11' ' ' THR . 21.3 m-85 56.86 12.4 1.16 Allowed 'General case' 0 N--CA 1.502 2.142 0 CA-C-N 114.284 -1.326 . . . . 0.0 112.162 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -67.8 -30.51 69.95 Favored 'General case' 0 N--CA 1.494 1.735 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.017 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.908 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 62.3 m -69.58 126.78 30.76 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 115.687 1.736 . . . . 0.0 115.687 -179.646 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 63.1 m -67.06 -29.55 69.36 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 103.576 -2.75 . . . . 0.0 103.576 179.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.0 mmt85 -99.68 -88.73 0.34 Allowed 'General case' 0 N--CA 1.489 1.481 0 CA-C-N 113.247 -1.797 . . . . 0.0 107.366 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.401 ' C ' ' SG ' ' A' ' 15' ' ' CYS . 70.5 m -162.24 159.07 25.24 Favored 'General case' 0 N--CA 1.509 2.49 0 O-C-N 123.552 0.532 . . . . 0.0 110.601 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.827 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 70.8 m -94.82 100.39 12.28 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 123.816 0.697 . . . . 0.0 110.172 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.415 HD22 ' HB2' ' A' ' 22' ' ' TYR . 10.6 t30 . . . . . 0 N--CA 1.498 1.945 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.988 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.415 ' HB2' HD22 ' A' ' 20' ' ' ASN . 19.7 m-85 . . . . . 0 N--CA 1.5 2.031 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 74.3 p -120.19 -3.24 10.06 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 124.393 1.058 . . . . 0.0 110.778 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm 62.14 37.67 14.3 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 124.223 0.952 . . . . 0.0 109.217 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 86.7 mtm180 -138.27 158.19 44.79 Favored 'General case' 0 N--CA 1.499 2.002 0 CA-C-N 113.9 -1.5 . . . . 0.0 107.734 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.616 ' SG ' ' HB2' ' A' ' 6' ' ' SER . 61.6 m -67.25 167.36 12.42 Favored 'General case' 0 N--CA 1.502 2.138 0 C-N-CA 119.392 -0.923 . . . . 0.0 112.485 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 . . . . . 0 N--CA 1.498 1.934 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 179.688 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.1 p . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 121.758 0.789 . . . . 0.0 109.935 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.444 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 5.5 mtpm? -115.36 -167.38 1.24 Allowed 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 103.054 -2.943 . . . . 0.0 103.054 179.65 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.5 m . . . . . 0 N--CA 1.504 2.239 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 179.849 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.883 0 N-CA-C 111.443 -0.663 . . . . 0.0 111.443 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.619 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 60.6 m -94.56 120.14 34.33 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-N 113.752 -1.224 . . . . 0.0 110.32 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 55.7 m -42.78 109.22 0.12 Allowed 'General case' 0 N--CA 1.498 1.925 0 O-C-N 124.66 1.225 . . . . 0.0 112.958 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.3 p -127.29 176.26 7.55 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-N 113.962 -1.472 . . . . 0.0 109.366 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.1 m . . . . . 0 N--CA 1.496 1.826 0 N-CA-C 106.441 -1.689 . . . . 0.0 106.441 -179.863 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 N--CA 1.493 1.717 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 63.4 m -56.43 -53.51 56.55 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 123.257 0.348 . . . . 0.0 110.592 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 51.29 19.21 0.72 Allowed 'General case' 0 N--CA 1.502 2.138 0 O-C-N 124.622 1.201 . . . . 0.0 113.175 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -62.82 -38.02 89.09 Favored 'General case' 0 N--CA 1.497 1.882 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.484 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.619 ' SG ' ' HB2' ' A' ' 6' ' ' SER . 62.3 m -92.25 149.38 21.49 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 124.709 1.255 . . . . 0.0 113.297 -179.779 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 64.7 m -84.49 -15.37 46.22 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 124.385 1.053 . . . . 0.0 109.558 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -79.26 -107.48 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 68.9 m -155.23 162.15 40.99 Favored 'General case' 0 N--CA 1.498 1.966 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 46.1 t -97.9 104.43 16.46 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 124.026 0.829 . . . . 0.0 112.639 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.419 HD22 ' HB2' ' A' ' 22' ' ' TYR . 1.4 t30 . . . . . 0 N--CA 1.496 1.84 0 CA-C-N 114.871 -1.059 . . . . 0.0 108.203 179.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.419 ' HB2' HD22 ' A' ' 20' ' ' ASN . 67.6 m-85 . . . . . 0 N--CA 1.496 1.86 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 73.4 p -133.44 -6.42 2.93 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 124.074 0.859 . . . . 0.0 111.025 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.45 ' HD3' ' N ' ' A' ' 24' ' ' LYS . 2.7 mppt? 57.78 41.93 24.24 Favored 'General case' 0 N--CA 1.502 2.169 0 CA-C-O 122.801 1.286 . . . . 0.0 109.719 -179.712 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 -140.04 167.01 23.12 Favored 'General case' 0 N--CA 1.499 1.998 0 CA-C-N 112.333 -2.212 . . . . 0.0 106.055 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.449 ' SG ' ' HB2' ' A' ' 6' ' ' SER . 85.1 m -81.58 -178.95 7.17 Favored 'General case' 0 N--CA 1.498 1.935 0 C-N-CA 119.445 -0.902 . . . . 0.0 113.108 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.3 m-30 . . . . . 0 N--CA 1.497 1.903 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.874 -179.789 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.9 p . . . . . 0 N--CA 1.49 1.537 0 CA-C-O 121.707 0.765 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.584 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 75.5 mmtt -125.77 -168.3 1.82 Allowed 'General case' 0 N--CA 1.492 1.652 0 CA-C-N 113.525 -1.67 . . . . 0.0 106.873 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.5 m . . . . . 0 N--CA 1.503 2.191 0 CA-C-O 118.505 -0.76 . . . . 0.0 112.033 179.847 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.794 0 CA-C-O 121.115 0.286 . . . . 0.0 113.147 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.587 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 67.6 m -86.72 132.46 33.86 Favored 'General case' 0 C--N 1.303 -1.416 0 CA-C-N 114.651 -0.774 . . . . 0.0 110.552 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 53.5 m -50.3 121.85 6.15 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 124.258 0.974 . . . . 0.0 112.922 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 24.1 p -150.55 -172.7 4.25 Favored 'General case' 0 N--CA 1.497 1.918 0 CA-C-N 114.238 -1.346 . . . . 0.0 109.456 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.7 m . . . . . 0 N--CA 1.498 1.935 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 179.954 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.9 t . . . . . 0 N--CA 1.496 1.842 0 N-CA-C 111.56 0.208 . . . . 0.0 111.56 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.6 m -55.17 -54.21 46.14 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 123.8 0.688 . . . . 0.0 111.145 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 53.09 23.67 3.13 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 124.659 1.225 . . . . 0.0 110.685 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -63.05 -26.88 69.05 Favored 'General case' 0 N--CA 1.495 1.815 0 CA-C-N 114.681 -1.145 . . . . 0.0 111.055 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.587 ' SG ' ' HB2' ' A' ' 6' ' ' SER . 76.2 m -108.62 133.61 52.5 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 124.609 1.193 . . . . 0.0 112.726 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 98.2 m -71.73 -20.79 61.85 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 124.241 0.963 . . . . 0.0 110.835 179.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.405 ' CD ' ' N ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -79.22 -97.94 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 106.307 -1.738 . . . . 0.0 106.307 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.405 ' N ' ' CD ' ' A' ' 17' ' ' ARG . 64.5 m -157.54 157.95 34.73 Favored 'General case' 0 N--CA 1.5 2.028 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 54.0 t -100.43 108.82 20.9 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 124.285 0.99 . . . . 0.0 112.737 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.475 HD21 ' HG1' ' A' ' 23' ' ' THR . 3.7 t30 . . . . . 0 N--CA 1.497 1.903 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 . . . . . 0 N--CA 1.498 1.93 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.475 ' HG1' HD21 ' A' ' 20' ' ' ASN . 73.8 p -131.37 -6.15 3.77 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 124.4 1.062 . . . . 0.0 110.171 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt 63.57 33.43 13.37 Favored 'General case' 0 N--CA 1.501 2.113 0 CA-C-O 122.318 1.056 . . . . 0.0 109.191 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 73.1 mtp180 -130.6 169.47 15.56 Favored 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 105.181 -2.155 . . . . 0.0 105.181 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 82.0 m -88.71 179.05 6.32 Favored 'General case' 0 N--CA 1.494 1.743 0 C-N-CA 119.249 -0.981 . . . . 0.0 112.913 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 . . . . . 0 N--CA 1.497 1.903 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.77 -179.647 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 25.7 p . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 122.105 0.955 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.548 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -96.08 -171.28 2.28 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-N 112.855 -1.975 . . . . 0.0 106.328 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.409 ' H ' ' CD ' ' A' ' 4' ' ' HYP . 69.2 m -160.67 -35.4 0.05 Allowed 'General case' 0 N--CA 1.5 2.061 0 CA-C-O 118.647 -0.692 . . . . 0.0 110.874 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . 0.409 ' CD ' ' H ' ' A' ' 3' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 56.94 21.88 39.46 Favored Glycine 0 N--CA 1.496 2.673 0 O-C-N 124.841 1.338 . . . . 0.0 114.351 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.621 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 48.5 t -95.59 130.77 42.34 Favored 'General case' 0 N--CA 1.498 1.959 0 C-N-CA 120.407 -0.517 . . . . 0.0 109.893 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 78.4 p -44.19 133.46 5.3 Favored 'General case' 0 N--CA 1.5 2.055 0 N-CA-C 114.679 1.363 . . . . 0.0 114.679 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.6 p -150.62 139.11 20.5 Favored 'General case' 0 N--CA 1.497 1.895 0 CA-C-N 114.397 -1.274 . . . . 0.0 107.819 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.413 ' CB ' HD22 ' A' ' 10' ' ' HYP . 67.0 m -96.72 -55.99 2.72 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 123.825 0.703 . . . . 0.0 112.845 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . 0.413 HD22 ' CB ' ' A' ' 9' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 75.4 p -120.81 48.93 1.53 Allowed 'General case' 0 N--CA 1.494 1.76 0 O-C-N 125.348 1.655 . . . . 0.0 107.34 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.3 m -63.66 -9.13 12.34 Favored 'General case' 0 N--CA 1.497 1.883 0 CA-C-N 113.696 -1.593 . . . . 0.0 111.674 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 58.97 15.82 4.22 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 124.355 1.034 . . . . 0.0 111.743 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -65.21 -24.11 67.26 Favored 'General case' 0 N--CA 1.493 1.688 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.186 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.621 ' SG ' ' HB3' ' A' ' 6' ' ' SER . 60.7 m -132.61 146.13 51.65 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 124.686 1.241 . . . . 0.0 112.438 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.0 m -85.14 -6.15 59.31 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 124.442 1.089 . . . . 0.0 108.455 179.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.1 tpp180 -84.91 -109.31 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 71.2 m -153.42 163.61 39.63 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 50.1 t -97.17 106.35 18.67 Favored 'General case' 0 N--CA 1.497 1.921 0 N-CA-C 114.639 1.348 . . . . 0.0 114.639 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.455 HD21 ' H ' ' A' ' 23' ' ' THR . 2.2 t30 -71.28 106.94 4.02 Favored 'General case' 0 N--CA 1.495 1.82 0 CA-C-N 114.368 -1.287 . . . . 0.0 108.572 179.68 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -78.98 -40.67 31.04 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 124.503 1.127 . . . . 0.0 109.088 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.455 ' H ' HD21 ' A' ' 20' ' ' ASN . 76.8 p -97.02 -13.26 22.4 Favored 'General case' 0 N--CA 1.495 1.803 0 CA-C-N 114.377 -1.283 . . . . 0.0 110.711 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.404 ' HZ1' ' HG ' ' A' ' 9' ' ' SER . 59.9 tttm 65.43 31.38 10.35 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 106.225 -1.769 . . . . 0.0 106.225 -179.514 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -132.56 -176.67 4.17 Favored 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 105.341 -2.096 . . . . 0.0 105.341 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 61.9 m -88.44 170.68 10.7 Favored 'General case' 0 N--CA 1.493 1.713 0 C-N-CA 119.843 -0.743 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -76.86 -76.18 0.18 Allowed 'General case' 0 N--CA 1.501 2.1 0 CA-C-O 121.677 0.751 . . . . 0.0 110.463 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.315 0 O-C-N 119.225 -2.172 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.2 p . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -120.3 110.47 16.59 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 123.844 0.715 . . . . 0.0 109.677 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.413 ' HB2' HD22 ' A' ' 4' ' ' HYP . 51.0 m -68.48 -48.65 63.91 Favored 'General case' 0 N--CA 1.5 2.037 0 C-N-CA 119.384 -0.927 . . . . 0.0 112.318 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . 0.447 ' C ' ' H ' ' A' ' 6' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 63.53 3.75 8.06 Favored Glycine 0 N--CA 1.497 2.73 0 O-C-N 124.212 0.945 . . . . 0.0 113.244 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.562 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 40.6 t -64.42 102.43 0.54 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 124.012 0.477 . . . . 0.0 110.271 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 57.1 m -54.72 88.29 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.944 0 O-C-N 124.776 1.297 . . . . 0.0 112.844 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.802 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 26.7 p -150.9 172.95 14.86 Favored 'General case' 0 N--CA 1.491 1.614 0 CA-C-N 113.996 -1.456 . . . . 0.0 111.518 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.493 ' H ' ' HG ' ' A' ' 12' ' ' SER . 67.6 m -142.77 -143.22 0.14 Allowed 'General case' 0 N--CA 1.489 1.514 0 CA-C-N 113.763 -1.562 . . . . 0.0 107.771 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.5 p -90.65 32.31 0.98 Allowed 'General case' 0 N--CA 1.496 1.845 0 O-C-N 124.701 1.251 . . . . 0.0 113.069 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.493 ' HG ' ' H ' ' A' ' 9' ' ' SER . 53.0 m -68.89 -49.39 58.65 Favored 'General case' 0 N--CA 1.499 1.984 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 59.49 2.29 0.32 Allowed 'General case' 0 N--CA 1.504 2.254 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 48.5 p30 -69.82 -10.14 57.32 Favored 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.562 ' SG ' ' HB3' ' A' ' 6' ' ' SER . 90.8 m -93.77 162.69 13.82 Favored 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 42.5 m -81.94 -42.3 19.64 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 106.312 -1.736 . . . . 0.0 106.312 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -89.64 -108.09 0.08 Allowed 'General case' 0 N--CA 1.492 1.63 0 CA-C-N 113.89 -1.505 . . . . 0.0 110.027 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 70.3 m -155.49 146.97 22.89 Favored 'General case' 0 N--CA 1.503 2.213 0 O-C-N 123.41 0.444 . . . . 0.0 109.901 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.559 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 62.5 m -77.99 110.7 13.15 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 123.923 0.765 . . . . 0.0 110.661 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.418 HD22 ' HB2' ' A' ' 22' ' ' TYR . 19.1 t30 -72.03 125.33 26.98 Favored 'General case' 0 N--CA 1.495 1.804 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.679 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.418 ' HB2' HD22 ' A' ' 20' ' ' ASN . 17.1 m-85 -110.21 -23.01 11.48 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 124.764 1.29 . . . . 0.0 107.724 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 74.6 p -117.84 -8.45 10.81 Favored 'General case' 0 N--CA 1.494 1.735 0 CA-C-N 114.302 -1.317 . . . . 0.0 110.906 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.514 ' HE2' ' N ' ' A' ' 24' ' ' LYS . 0.1 OUTLIER 60.1 32.31 20.92 Favored 'General case' 0 N--CA 1.503 2.184 0 N-CA-C 106.533 -1.654 . . . . 0.0 106.533 -179.72 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 89.7 mtm-85 -145.11 145.93 31.61 Favored 'General case' 0 N--CA 1.5 2.032 0 CA-C-N 114.089 -1.414 . . . . 0.0 109.722 -179.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.802 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 95.2 m -72.36 164.8 25.73 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 115.076 1.509 . . . . 0.0 115.076 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -66.05 -70.07 0.26 Allowed 'General case' 0 N--CA 1.487 1.412 0 CA-C-N 113.191 -1.822 . . . . 0.0 112.948 -179.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.337 0 O-C-N 119.262 -2.149 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.7 p . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 122.216 1.007 . . . . 0.0 110.802 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -111.03 -167.46 1.18 Allowed 'General case' 0 N--CA 1.49 1.527 0 CA-C-N 112.632 -2.076 . . . . 0.0 106.381 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.43 ' H ' ' CD ' ' A' ' 4' ' ' HYP . 68.2 m -151.21 -35.23 0.14 Allowed 'General case' 0 N--CA 1.496 1.873 0 CA-C-O 118.338 -0.839 . . . . 0.0 112.443 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . 0.43 ' CD ' ' H ' ' A' ' 3' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 67.65 8.83 53.92 Favored Glycine 0 N--CA 1.494 2.566 0 O-C-N 124.72 1.262 . . . . 0.0 114.716 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.593 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 46.6 t -77.14 135.46 38.55 Favored 'General case' 0 N--CA 1.495 1.809 0 C-N-CA 119.241 -0.983 . . . . 0.0 108.434 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 77.7 p -52.23 109.88 0.43 Allowed 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 115.963 1.838 . . . . 0.0 115.963 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.442 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 38.7 t -140.15 127.17 20.84 Favored 'General case' 0 N--CA 1.497 1.9 0 CA-C-N 114.765 -1.107 . . . . 0.0 108.488 179.602 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.467 ' H ' ' HG ' ' A' ' 12' ' ' SER . 62.7 m -89.19 -59.64 2.17 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 123.952 0.782 . . . . 0.0 111.11 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . 0.408 HD22 ' CB ' ' A' ' 9' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 68.9 p -93.19 35.42 1.08 Allowed 'General case' 0 N--CA 1.497 1.912 0 O-C-N 124.883 1.364 . . . . 0.0 112.131 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.467 ' HG ' ' H ' ' A' ' 9' ' ' SER . 56.0 m -70.42 -17.11 63.01 Favored 'General case' 0 N--CA 1.499 1.989 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.566 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 62.77 -6.93 0.15 Allowed 'General case' 0 N--CA 1.501 2.115 0 N-CA-C 116.507 2.04 . . . . 0.0 116.507 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -72.54 -1.82 17.4 Favored 'General case' 0 N--CA 1.502 2.132 0 C-N-CA 119.74 -0.784 . . . . 0.0 111.634 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.59 ' SG ' ' SG ' ' A' ' 19' ' ' CYS . 64.9 m -108.17 81.46 1.49 Allowed 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 120.049 -0.66 . . . . 0.0 110.554 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.0 m -65.82 -5.71 9.79 Favored 'General case' 0 N--CA 1.499 1.984 0 C-N-CA 117.956 -1.498 . . . . 0.0 110.77 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.27 -83.17 0.43 Allowed 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 102.686 -3.079 . . . . 0.0 102.686 179.603 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 67.9 m -160.76 150.51 17.43 Favored 'General case' 0 N--CA 1.504 2.251 0 O-C-N 123.717 0.636 . . . . 0.0 110.03 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.59 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 95.8 m -97.64 109.58 22.31 Favored 'General case' 0 N--CA 1.502 2.144 0 N-CA-C 114.687 1.366 . . . . 0.0 114.687 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.426 ' HA ' ' CE2' ' A' ' 27' ' ' TYR . 2.1 t30 -72.72 97.74 2.25 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-N 114.234 -1.348 . . . . 0.0 108.781 179.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -79.75 -38.61 32.88 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 124.633 1.208 . . . . 0.0 108.938 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 70.5 p -113.14 -3.67 13.91 Favored 'General case' 0 N--CA 1.496 1.859 0 CA-C-N 114.423 -1.262 . . . . 0.0 109.533 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.474 ' HD2' ' N ' ' A' ' 24' ' ' LYS . 11.1 mptt 62.38 45.48 6.54 Favored 'General case' 0 N--CA 1.495 1.82 0 CA-C-O 122.945 1.355 . . . . 0.0 109.594 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.0 mtp-105 -136.62 -171.52 2.93 Favored 'General case' 0 N--CA 1.496 1.826 0 CA-C-N 111.919 -2.4 . . . . 0.0 105.841 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.593 ' SG ' ' HB3' ' A' ' 6' ' ' SER . 58.6 m -101.58 171.24 7.68 Favored 'General case' 0 N--CA 1.506 2.359 0 C-N-CA 120.083 -0.647 . . . . 0.0 110.709 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.426 ' CE2' ' HA ' ' A' ' 20' ' ' ASN . 84.7 m-85 -90.94 129.05 37.0 Favored 'General case' 0 N--CA 1.499 1.989 0 CA-C-O 121.721 0.772 . . . . 0.0 108.958 179.585 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.473 0 O-C-N 119.115 -2.241 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.1 p . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -114.7 112.93 23.62 Favored 'General case' 0 N--CA 1.501 2.104 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.426 ' HB2' HD22 ' A' ' 4' ' ' HYP . 67.2 m -61.54 -61.9 2.2 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 -179.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . 0.426 HD22 ' HB2' ' A' ' 3' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 63.1 6.01 11.87 Favored Glycine 0 N--CA 1.495 2.584 0 O-C-N 124.616 1.197 . . . . 0.0 112.487 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.455 ' OG ' ' SG ' ' A' ' 15' ' ' CYS . 58.3 p -75.34 140.67 43.21 Favored 'General case' 0 N--CA 1.485 1.318 0 CA-C-O 121.346 0.593 . . . . 0.0 110.413 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 81.6 p -48.91 116.54 1.69 Allowed 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 117.415 2.376 . . . . 0.0 117.415 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.2 t -150.78 131.51 14.05 Favored 'General case' 0 N--CA 1.496 1.83 0 CA-C-N 114.44 -1.254 . . . . 0.0 109.039 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.1 m -89.03 -74.0 0.49 Allowed 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . 0.418 ' HA ' ' SG ' ' A' ' 19' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 75.7 p -79.84 28.32 0.28 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 124.805 1.316 . . . . 0.0 114.005 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 55.0 m -70.88 -44.18 66.87 Favored 'General case' 0 N--CA 1.5 2.042 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 55.93 13.05 1.01 Allowed 'General case' 0 N--CA 1.501 2.09 0 O-C-N 124.752 1.283 . . . . 0.0 113.239 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 49.9 p30 -85.13 26.41 0.88 Allowed 'General case' 0 N--CA 1.495 1.805 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.241 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.455 ' SG ' ' OG ' ' A' ' 6' ' ' SER . 92.3 m -129.74 158.42 39.46 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-N 115.052 -0.976 . . . . 0.0 112.818 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 37.5 m -84.77 -50.15 7.84 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-N 114.134 -1.394 . . . . 0.0 111.337 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.1 mmt85 -73.02 -100.95 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.85 0 CA-C-N 114.578 -1.192 . . . . 0.0 112.267 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 65.0 m -143.63 -178.08 5.72 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.418 ' SG ' ' HA ' ' A' ' 10' ' ' HYP . 49.4 t -112.55 106.7 15.21 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 123.847 0.717 . . . . 0.0 111.368 -179.719 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.456 ' H ' ' HA ' ' A' ' 26' ' ' CYS . 0.6 OUTLIER -82.57 96.98 8.24 Favored 'General case' 0 N--CA 1.493 1.699 0 CA-C-N 114.876 -1.057 . . . . 0.0 108.509 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -79.18 -31.49 43.89 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 124.443 1.089 . . . . 0.0 109.339 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.0 t -117.86 2.0 12.15 Favored 'General case' 0 N--CA 1.496 1.835 0 CA-C-N 114.585 -1.189 . . . . 0.0 109.268 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt 63.33 38.33 10.3 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 124.246 0.966 . . . . 0.0 111.396 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 -135.22 -164.9 1.6 Allowed 'General case' 0 N--CA 1.5 2.054 0 N-CA-C 106.189 -1.782 . . . . 0.0 106.189 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.456 ' HA ' ' H ' ' A' ' 20' ' ' ASN . 93.2 m -115.17 175.18 5.62 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 123.868 0.73 . . . . 0.0 112.212 179.482 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -83.21 -63.25 1.4 Allowed 'General case' 0 N--CA 1.498 1.935 0 CA-C-O 121.69 0.757 . . . . 0.0 113.03 -179.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.349 0 O-C-N 119.233 -2.167 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 30.0 p . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.432 ' N ' ' HD2' ' A' ' 2' ' ' LYS . 2.3 mptp? -132.12 113.37 13.24 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 105.188 -2.153 . . . . 0.0 105.188 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.8 m -64.75 -54.65 28.08 Favored 'General case' 0 N--CA 1.5 2.06 0 N-CA-C 115.438 1.644 . . . . 0.0 115.438 -179.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 65.13 8.41 36.07 Favored Glycine 0 N--CA 1.496 2.649 0 O-C-N 124.549 1.156 . . . . 0.0 114.077 179.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.521 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 46.9 t -71.6 146.14 48.56 Favored 'General case' 0 N--CA 1.495 1.812 0 C-N-CA 119.962 -0.695 . . . . 0.0 109.231 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 59.5 m -66.35 131.28 45.74 Favored 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.4 t -136.74 171.33 14.66 Favored 'General case' 0 N--CA 1.495 1.81 0 CA-C-N 113.42 -1.718 . . . . 0.0 108.246 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.493 ' CB ' ' CD ' ' A' ' 10' ' ' HYP . 65.4 m -138.02 -83.57 0.31 Allowed 'General case' 0 N--CA 1.495 1.81 0 CA-C-O 118.417 -0.801 . . . . 0.0 109.158 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . 0.493 ' CD ' ' CB ' ' A' ' 9' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.406 ' C ' ' H ' ' A' ' 13' ' ' TYR . 90.5 m 53.35 60.58 3.63 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 124.906 1.379 . . . . 0.0 109.518 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.4 m -71.16 6.69 1.53 Allowed 'General case' 0 N--CA 1.499 2.004 0 CA-C-N 114.207 -1.36 . . . . 0.0 111.582 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.406 ' H ' ' C ' ' A' ' 11' ' ' THR . 85.8 m-85 65.41 5.8 3.36 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 124.201 0.938 . . . . 0.0 111.37 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -83.11 -22.12 33.48 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.06 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.645 ' SG ' ' SG ' ' A' ' 19' ' ' CYS . 66.6 m -90.39 119.42 30.66 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 124.072 0.858 . . . . 0.0 113.196 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 77.9 m -73.45 -43.51 60.14 Favored 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 106.235 -1.765 . . . . 0.0 106.235 179.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -83.49 -83.47 0.14 Allowed 'General case' 0 N--CA 1.489 1.505 0 CA-C-N 113.686 -1.597 . . . . 0.0 108.437 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 67.9 m -156.83 170.33 22.73 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 123.748 0.655 . . . . 0.0 110.968 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.645 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 85.4 m -98.79 109.45 22.21 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 115.146 1.536 . . . . 0.0 115.146 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.426 ' HA ' ' CZ ' ' A' ' 27' ' ' TYR . 1.2 t30 -72.9 102.28 3.39 Favored 'General case' 0 N--CA 1.492 1.654 0 CA-C-N 113.957 -1.474 . . . . 0.0 108.255 179.537 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.402 ' HB2' HD22 ' A' ' 20' ' ' ASN . 63.1 m-85 -79.14 -15.44 58.12 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 124.497 1.123 . . . . 0.0 109.216 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 79.4 p -142.87 11.08 1.81 Allowed 'General case' 0 N--CA 1.497 1.883 0 CA-C-N 114.961 -1.018 . . . . 0.0 109.355 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.5 ptmm? 50.41 30.48 4.62 Favored 'General case' 0 N--CA 1.502 2.162 0 C-N-CA 124.542 1.137 . . . . 0.0 112.948 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.4 mmt85 -117.47 -164.39 0.99 Allowed 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 106.01 -1.848 . . . . 0.0 106.01 179.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.521 ' SG ' ' HB3' ' A' ' 6' ' ' SER . 66.6 m -109.3 172.66 6.72 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 123.885 0.74 . . . . 0.0 109.276 179.587 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.426 ' CZ ' ' HA ' ' A' ' 20' ' ' ASN . 96.5 m-85 -91.83 -62.24 1.46 Allowed 'General case' 0 N--CA 1.497 1.877 0 CA-C-O 121.865 0.841 . . . . 0.0 109.562 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.298 0 O-C-N 119.362 -2.086 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.8 p . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -124.45 114.55 19.62 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 105.571 -2.011 . . . . 0.0 105.571 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.5 m -65.92 -43.73 87.26 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 116.856 2.169 . . . . 0.0 116.856 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 73.8 3.61 64.12 Favored Glycine 0 N--CA 1.493 2.486 0 O-C-N 124.301 1.001 . . . . 0.0 114.497 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.602 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 38.5 t -74.4 124.28 26.22 Favored 'General case' 0 N--CA 1.497 1.903 0 C-N-CA 118.913 -1.115 . . . . 0.0 108.455 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 58.8 m -47.7 93.44 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.926 0 O-C-N 124.843 1.339 . . . . 0.0 114.386 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.619 ' SG ' ' HB2' ' A' ' 12' ' ' SER . 41.8 t -150.62 149.94 30.52 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-N 114.943 -1.026 . . . . 0.0 112.885 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.447 ' CB ' ' CD ' ' A' ' 10' ' ' HYP . 67.0 m -150.15 -131.0 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 CA-C-N 112.738 -2.028 . . . . 0.0 106.37 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . 0.447 ' CD ' ' CB ' ' A' ' 9' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 71.0 p -127.74 -13.4 5.3 Favored 'General case' 0 N--CA 1.503 2.196 0 N-CA-C 114.928 1.455 . . . . 0.0 114.928 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.619 ' HB2' ' SG ' ' A' ' 8' ' ' CYS . 66.9 m -60.1 -42.51 94.83 Favored 'General case' 0 N--CA 1.501 2.085 0 C-N-CA 119.977 -0.689 . . . . 0.0 110.834 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.43 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 25.0 m-85 48.27 14.82 0.06 Allowed 'General case' 0 N--CA 1.502 2.148 0 N-CA-C 116.407 2.002 . . . . 0.0 116.407 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 26.2 p30 -68.61 -9.79 51.98 Favored 'General case' 0 N--CA 1.503 2.179 0 C-N-CA 119.13 -1.028 . . . . 0.0 112.244 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.769 ' SG ' ' SG ' ' A' ' 19' ' ' CYS . 63.2 m -72.74 132.58 43.82 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 65.7 m -70.89 -45.99 63.37 Favored 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 105.743 -1.947 . . . . 0.0 105.743 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -86.87 -80.67 0.24 Allowed 'General case' 0 N--CA 1.496 1.841 0 CA-C-N 114.4 -1.273 . . . . 0.0 110.277 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 70.2 m -151.83 161.54 42.49 Favored 'General case' 0 N--CA 1.501 2.103 0 CA-C-O 121.548 0.689 . . . . 0.0 112.83 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.769 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 81.4 m -104.41 103.28 12.97 Favored 'General case' 0 N--CA 1.497 1.922 0 CA-C-N 113.536 -1.665 . . . . 0.0 112.41 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.414 HD22 ' HB2' ' A' ' 22' ' ' TYR . 0.5 OUTLIER -77.63 111.04 12.97 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.414 ' HB2' HD22 ' A' ' 20' ' ' ASN . 21.7 m-85 -78.96 -59.5 2.75 Favored 'General case' 0 N--CA 1.499 2.024 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.9 t -78.38 -6.4 55.08 Favored 'General case' 0 N--CA 1.493 1.706 0 CA-C-N 114.84 -1.073 . . . . 0.0 108.869 179.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 58.8 tttm 60.34 31.3 20.36 Favored 'General case' 0 N--CA 1.493 1.704 0 CA-C-O 122.094 0.95 . . . . 0.0 109.463 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.414 ' HA ' ' H ' ' A' ' 8' ' ' CYS . 84.9 mtt85 -137.45 175.96 9.13 Favored 'General case' 0 N--CA 1.498 1.95 0 CA-C-N 114.417 -1.265 . . . . 0.0 108.643 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.602 ' SG ' ' HB3' ' A' ' 6' ' ' SER . 59.6 m -79.74 163.28 24.61 Favored 'General case' 0 N--CA 1.497 1.915 0 C-N-CA 119.805 -0.758 . . . . 0.0 110.859 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -74.57 -42.43 58.78 Favored 'General case' 0 N--CA 1.498 1.951 0 CA-C-O 121.844 0.83 . . . . 0.0 109.538 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.349 0 O-C-N 119.437 -2.039 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.4 p . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.433 ' HA ' ' HE2' ' A' ' 2' ' ' LYS . 7.9 mmpt? -109.19 114.99 29.17 Favored 'General case' 0 N--CA 1.5 2.03 0 N-CA-C 104.356 -2.461 . . . . 0.0 104.356 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.2 m -68.03 -58.39 4.58 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.432 ' H ' ' HN1' ' A' ' 28' ' ' NH2 . . . 64.19 14.38 56.35 Favored Glycine 0 N--CA 1.494 2.539 0 O-C-N 124.307 1.005 . . . . 0.0 113.685 179.68 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.508 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 46.6 t -78.34 133.84 37.54 Favored 'General case' 0 N--CA 1.497 1.895 0 C-N-CA 119.825 -0.75 . . . . 0.0 109.853 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 78.9 p -51.3 128.84 23.41 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 124.307 1.004 . . . . 0.0 111.082 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 27.8 p -149.1 172.03 15.45 Favored 'General case' 0 N--CA 1.493 1.709 0 CA-C-N 114.534 -1.212 . . . . 0.0 109.853 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.421 ' CB ' ' CD ' ' A' ' 10' ' ' HYP . 49.0 m -117.7 -100.97 0.43 Allowed 'General case' 0 N--CA 1.494 1.725 0 N-CA-C 105.855 -1.906 . . . . 0.0 105.855 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . 0.421 ' CD ' ' CB ' ' A' ' 9' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.9 t -83.93 14.01 4.44 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 124.886 1.366 . . . . 0.0 112.36 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.7 m -70.03 -38.88 75.98 Favored 'General case' 0 N--CA 1.503 2.185 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 59.79 3.51 0.47 Allowed 'General case' 0 N--CA 1.501 2.119 0 N-CA-C 115.81 1.781 . . . . 0.0 115.81 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -63.64 -27.65 69.38 Favored 'General case' 0 N--CA 1.502 2.174 0 C-N-CA 119.672 -0.811 . . . . 0.0 110.826 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 76.8 m -65.4 110.35 2.62 Favored 'General case' 0 N--CA 1.49 1.533 0 CA-C-N 114.889 -1.05 . . . . 0.0 111.392 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 61.2 m -58.72 -42.96 89.9 Favored 'General case' 0 N--CA 1.502 2.132 0 N-CA-C 105.724 -1.954 . . . . 0.0 105.724 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 59.4 ttm-85 -80.99 -93.62 0.05 OUTLIER 'General case' 0 N--CA 1.487 1.396 0 CA-C-N 112.58 -2.1 . . . . 0.0 110.058 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.8 m -151.79 164.92 36.0 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 123.669 0.605 . . . . 0.0 110.487 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 50.8 t -98.66 103.39 15.33 Favored 'General case' 0 N--CA 1.494 1.731 0 CA-C-N 114.968 -1.015 . . . . 0.0 112.389 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -71.42 102.46 2.65 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-N 114.727 -1.124 . . . . 0.0 108.491 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -79.43 1.38 25.68 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 124.406 1.066 . . . . 0.0 111.6 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.6 t -153.24 -0.07 0.25 Allowed 'General case' 0 N--CA 1.495 1.813 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.955 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 96.1 mttt 62.58 37.98 12.68 Favored 'General case' 0 N--CA 1.501 2.077 0 CA-C-O 121.746 0.784 . . . . 0.0 110.853 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -139.66 -178.69 5.52 Favored 'General case' 0 N--CA 1.501 2.12 0 N-CA-C 106.411 -1.7 . . . . 0.0 106.411 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.508 ' SG ' ' HB3' ' A' ' 6' ' ' SER . 49.6 m -86.61 172.0 10.59 Favored 'General case' 0 N--CA 1.496 1.854 0 C-N-CA 119.526 -0.869 . . . . 0.0 109.789 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -71.75 -0.29 10.68 Favored 'General case' 0 N--CA 1.506 2.355 0 CA-C-O 121.73 0.776 . . . . 0.0 112.713 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' NH2 . . . . . 0.432 ' HN1' ' H ' ' A' ' 5' ' ' GLY . . . . . . . . 0 C--N 1.302 -1.478 0 O-C-N 118.912 -2.368 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 24.4 p . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 121.702 0.763 . . . . 0.0 111.346 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.448 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 54.8 mttp -88.49 -167.51 1.9 Allowed 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 105.722 -1.955 . . . . 0.0 105.722 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.2 m -163.73 -44.11 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.11 0 CA-C-O 118.333 -0.842 . . . . 0.0 111.28 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 60.55 9.31 12.18 Favored Glycine 0 N--CA 1.499 2.836 0 O-C-N 124.518 1.136 . . . . 0.0 113.859 179.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.652 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 59.0 m -78.38 146.05 34.84 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 77.4 p -57.01 90.75 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 116.196 1.925 . . . . 0.0 116.196 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.584 ' SG ' ' HB2' ' A' ' 12' ' ' SER . 43.8 t -150.69 139.94 21.27 Favored 'General case' 0 N--CA 1.499 1.996 0 CA-C-N 114.774 -1.103 . . . . 0.0 108.856 179.603 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.441 ' HB2' HD22 ' A' ' 10' ' ' HYP . 69.8 m -125.47 -77.01 0.58 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 124.026 0.829 . . . . 0.0 111.883 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . 0.441 HD22 ' HB2' ' A' ' 9' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 76.0 p -139.21 33.92 2.11 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 125.689 1.868 . . . . 0.0 107.853 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.584 ' HB2' ' SG ' ' A' ' 8' ' ' CYS . 48.5 m -59.07 -18.6 36.6 Favored 'General case' 0 N--CA 1.505 2.321 0 C-N-CA 120.055 -0.658 . . . . 0.0 111.243 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 56.47 10.1 0.63 Allowed 'General case' 0 N--CA 1.5 2.061 0 N-CA-C 115.013 1.486 . . . . 0.0 115.013 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -63.63 -55.92 19.86 Favored 'General case' 0 N--CA 1.496 1.844 0 C-N-CA 119.694 -0.802 . . . . 0.0 110.093 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.652 ' SG ' ' HB2' ' A' ' 6' ' ' SER . 81.0 m -84.82 121.17 27.33 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 124.562 1.164 . . . . 0.0 113.618 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.7 m -68.3 -24.65 64.88 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 124.344 1.027 . . . . 0.0 111.771 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 64.9 ttt-85 -77.09 -85.82 0.06 Allowed 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 119.733 -0.787 . . . . 0.0 109.887 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 63.7 m -151.52 160.09 43.85 Favored 'General case' 0 N--CA 1.504 2.25 0 O-C-N 123.221 0.326 . . . . 0.0 111.193 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 87.2 m -118.92 103.7 9.84 Favored 'General case' 0 N--CA 1.501 2.12 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.439 ' HA ' ' CE2' ' A' ' 27' ' ' TYR . 2.1 t30 -69.57 114.95 8.27 Favored 'General case' 0 N--CA 1.496 1.837 0 CA-C-N 113.582 -1.644 . . . . 0.0 111.268 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -79.34 -13.98 59.28 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 124.568 1.167 . . . . 0.0 110.7 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 82.2 p -142.27 -2.57 1.11 Allowed 'General case' 0 N--CA 1.499 2.011 0 CA-C-N 115.197 -0.91 . . . . 0.0 108.736 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt 66.25 26.41 10.42 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 124.674 1.234 . . . . 0.0 110.876 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -117.73 -172.27 2.21 Favored 'General case' 0 N--CA 1.498 1.954 0 CA-C-N 113.952 -1.476 . . . . 0.0 107.555 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.556 ' SG ' ' HB3' ' A' ' 8' ' ' CYS . 84.5 m -105.32 170.44 7.88 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 179.49 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.439 ' CE2' ' HA ' ' A' ' 20' ' ' ASN . 96.5 m-85 -95.29 144.17 26.08 Favored 'General case' 0 N--CA 1.499 1.986 0 CA-C-O 121.828 0.823 . . . . 0.0 110.415 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.395 0 O-C-N 119.185 -2.197 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.7 p . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.438 0.637 . . . . 0.0 109.679 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.414 ' N ' ' HD2' ' A' ' 2' ' ' LYS . 9.6 mptt -128.92 -173.2 2.91 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 106.434 -1.691 . . . . 0.0 106.434 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.451 ' H ' ' CD ' ' A' ' 4' ' ' HYP . 70.1 m -159.0 -13.31 0.06 Allowed 'General case' 0 N--CA 1.501 2.081 0 CA-C-O 118.961 -0.542 . . . . 0.0 111.712 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . 0.451 ' CD ' ' H ' ' A' ' 3' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 99.76 -3.42 57.43 Favored Glycine 0 N--CA 1.502 3.034 0 N-CA-C 119.314 2.486 . . . . 0.0 119.314 179.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.642 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 32.2 t -81.42 122.36 27.4 Favored 'General case' 0 N--CA 1.505 2.325 0 CA-C-N 119.723 1.761 . . . . 0.0 109.468 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 74.2 p -50.72 98.33 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.776 0 O-C-N 125.036 1.46 . . . . 0.0 114.366 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.866 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 24.5 p -150.29 153.15 35.63 Favored 'General case' 0 N--CA 1.493 1.706 0 CA-C-N 114.253 -1.34 . . . . 0.0 110.183 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.453 ' CB ' HD22 ' A' ' 10' ' ' HYP . 73.3 m -135.97 -44.58 0.65 Allowed 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . 0.453 HD22 ' CB ' ' A' ' 9' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.5 p -61.3 -14.09 24.14 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 124.902 1.377 . . . . 0.0 114.367 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 64.7 m -59.05 -47.14 86.33 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 123.668 0.605 . . . . 0.0 110.444 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 51.36 16.75 0.44 Allowed 'General case' 0 N--CA 1.504 2.249 0 N-CA-C 115.13 1.53 . . . . 0.0 115.13 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 35.7 p30 -74.16 1.85 10.31 Favored 'General case' 0 N--CA 1.5 2.049 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.866 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 38.5 m -115.7 126.87 54.66 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 123.881 0.738 . . . . 0.0 110.12 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 63.1 m -72.95 -23.92 60.74 Favored 'General case' 0 N--CA 1.501 2.092 0 C-N-CA 118.483 -1.287 . . . . 0.0 108.875 179.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 57.2 ttt-85 -81.25 -102.1 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 58.8 m -153.65 172.43 17.26 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 71.7 m -117.94 115.04 24.11 Favored 'General case' 0 N--CA 1.497 1.922 0 N-CA-C 114.852 1.427 . . . . 0.0 114.852 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.537 HD21 ' H ' ' A' ' 23' ' ' THR . 1.8 t30 -69.17 114.61 7.6 Favored 'General case' 0 N--CA 1.489 1.508 0 CA-C-N 112.877 -1.965 . . . . 0.0 108.288 179.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.44 ' HB2' HD22 ' A' ' 20' ' ' ASN . 31.3 m-85 -81.67 -28.53 33.51 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 124.506 1.129 . . . . 0.0 108.735 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.537 ' H ' HD21 ' A' ' 20' ' ' ASN . 77.4 p -109.0 -15.92 14.25 Favored 'General case' 0 N--CA 1.496 1.855 0 CA-C-N 114.281 -1.327 . . . . 0.0 110.299 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.46 ' HD2' ' N ' ' A' ' 24' ' ' LYS . 10.8 mptt 62.43 38.34 12.88 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 124.73 1.269 . . . . 0.0 108.895 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 48.5 mtm180 -141.86 173.46 11.49 Favored 'General case' 0 N--CA 1.501 2.088 0 CA-C-N 113.94 -1.482 . . . . 0.0 108.878 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.642 ' SG ' ' HB3' ' A' ' 6' ' ' SER . 47.5 m -65.89 156.39 33.55 Favored 'General case' 0 N--CA 1.506 2.371 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 179.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.414 ' CZ ' ' HA ' ' A' ' 20' ' ' ASN . 85.3 m-85 -69.08 -80.35 0.05 OUTLIER 'General case' 0 N--CA 1.506 2.35 0 C-N-CA 118.388 -1.325 . . . . 0.0 109.854 179.596 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.293 0 O-C-N 118.789 -2.445 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.4 p . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.428 ' HB3' ' CB ' ' A' ' 6' ' ' SER . 75.8 mmtt -133.92 97.83 3.99 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 123.636 0.585 . . . . 0.0 111.277 -179.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.1 m -61.44 -58.79 6.79 Favored 'General case' 0 N--CA 1.497 1.92 0 N-CA-C 114.314 1.227 . . . . 0.0 114.314 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 56.58 20.84 32.81 Favored Glycine 0 N--CA 1.494 2.561 0 O-C-N 124.534 1.146 . . . . 0.0 113.142 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.582 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 50.1 m -71.42 -162.43 0.08 Allowed 'General case' 0 N--CA 1.493 1.689 0 CA-C-O 118.806 -0.616 . . . . 0.0 109.771 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 57.0 m -104.2 91.92 4.14 Favored 'General case' 0 N--CA 1.504 2.272 0 N-CA-C 114.782 1.401 . . . . 0.0 114.782 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.505 ' SG ' ' HB2' ' A' ' 12' ' ' SER . 51.5 t -151.98 126.24 9.29 Favored 'General case' 0 N--CA 1.499 1.984 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.793 179.663 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.0 m -89.55 -90.54 0.14 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 123.981 0.801 . . . . 0.0 112.945 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . 0.414 HD23 ' H ' ' A' ' 12' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.472 ' HG1' ' HH ' ' A' ' 13' ' ' TYR . 8.9 t -158.8 36.46 0.22 Allowed 'General case' 0 C--N 1.306 -1.321 0 O-C-N 125.574 1.796 . . . . 0.0 106.258 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.505 ' HB2' ' SG ' ' A' ' 8' ' ' CYS . 50.0 m -53.82 -14.3 0.93 Allowed 'General case' 0 N--CA 1.505 2.308 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.472 ' HH ' ' HG1' ' A' ' 11' ' ' THR . 49.4 m-85 63.65 0.07 0.82 Allowed 'General case' 0 N--CA 1.501 2.116 0 N-CA-C 115.213 1.56 . . . . 0.0 115.213 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.5 p30 -64.77 -19.74 65.98 Favored 'General case' 0 N--CA 1.499 2.02 0 C-N-CA 119.439 -0.904 . . . . 0.0 110.2 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.719 ' SG ' ' SG ' ' A' ' 19' ' ' CYS . 67.8 m -74.4 159.61 32.1 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 123.935 0.772 . . . . 0.0 109.357 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 63.3 m -79.35 -44.28 21.85 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.2 mmt85 -96.67 -82.65 0.4 Allowed 'General case' 0 N--CA 1.492 1.644 0 CA-C-N 114.283 -1.326 . . . . 0.0 109.773 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 70.3 m -149.41 169.25 21.29 Favored 'General case' 0 N--CA 1.499 2.016 0 CA-C-O 121.488 0.661 . . . . 0.0 112.383 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.719 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 72.3 m -107.5 102.12 11.41 Favored 'General case' 0 N--CA 1.496 1.862 0 CA-C-N 113.513 -1.676 . . . . 0.0 112.72 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.435 HD22 ' HB2' ' A' ' 22' ' ' TYR . 0.5 OUTLIER -70.48 104.22 2.69 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 179.798 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.435 ' HB2' HD22 ' A' ' 20' ' ' ASN . 15.6 m-85 -79.62 -43.6 22.55 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 124.427 1.079 . . . . 0.0 108.865 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.8 t -105.57 -4.57 21.01 Favored 'General case' 0 N--CA 1.493 1.71 0 CA-C-N 114.092 -1.413 . . . . 0.0 108.264 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.445 ' HD2' ' N ' ' A' ' 24' ' ' LYS . 0.4 OUTLIER 65.26 29.39 11.71 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 124.79 1.306 . . . . 0.0 113.262 179.815 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 71.3 mtm180 -123.43 175.21 6.88 Favored 'General case' 0 N--CA 1.495 1.804 0 CA-C-N 113.789 -1.55 . . . . 0.0 108.186 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.582 ' SG ' ' HB2' ' A' ' 6' ' ' SER . 80.0 m -86.21 178.77 7.08 Favored 'General case' 0 N--CA 1.502 2.167 0 C-N-CA 119.258 -0.977 . . . . 0.0 109.255 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -94.5 -66.73 0.9 Allowed 'General case' 0 N--CA 1.502 2.169 0 CA-C-O 121.612 0.72 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.363 0 O-C-N 119.307 -2.12 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.4 p . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.424 ' HB3' ' CB ' ' A' ' 6' ' ' SER . 47.7 mmtm -135.64 99.23 4.14 Favored 'General case' 0 N--CA 1.502 2.175 0 O-C-N 123.614 0.571 . . . . 0.0 111.277 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.5 m -60.89 -55.01 38.06 Favored 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 66.83 21.01 70.98 Favored Glycine 0 N--CA 1.491 2.361 0 O-C-N 124.464 1.102 . . . . 0.0 115.477 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.553 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 44.6 t -84.97 127.4 34.17 Favored 'General case' 0 N--CA 1.498 1.929 0 C-N-CA 119.035 -1.066 . . . . 0.0 109.685 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 68.9 m -34.93 84.72 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.155 0 N-CA-C 116.905 2.187 . . . . 0.0 116.905 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.58 ' SG ' ' HB2' ' A' ' 12' ' ' SER . 53.8 t -152.15 154.76 36.49 Favored 'General case' 0 N--CA 1.498 1.943 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.118 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.9 m -129.29 -80.57 0.56 Allowed 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 115.632 1.716 . . . . 0.0 115.632 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 86.1 m -149.68 29.89 0.75 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 125.538 1.773 . . . . 0.0 106.516 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.58 ' HB2' ' SG ' ' A' ' 8' ' ' CYS . 53.1 m -62.65 -19.87 64.24 Favored 'General case' 0 N--CA 1.503 2.199 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 58.17 2.91 0.21 Allowed 'General case' 0 N--CA 1.505 2.301 0 N-CA-C 114.967 1.469 . . . . 0.0 114.967 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 28.3 p30 -62.74 -15.62 53.95 Favored 'General case' 0 N--CA 1.499 1.978 0 C-N-CA 120.234 -0.586 . . . . 0.0 111.648 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.712 ' SG ' ' SG ' ' A' ' 19' ' ' CYS . 64.6 m -84.08 159.26 21.18 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.192 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 61.6 m -81.22 -50.53 9.45 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 105.71 -1.959 . . . . 0.0 105.71 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.5 tpt180 -82.29 -85.31 0.11 Allowed 'General case' 0 N--CA 1.491 1.578 0 CA-C-N 114.03 -1.441 . . . . 0.0 107.967 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 71.1 m -155.51 170.53 21.74 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 123.994 0.808 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.712 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 85.9 m -104.84 100.27 9.9 Favored 'General case' 0 N--CA 1.496 1.844 0 CA-C-N 113.736 -1.575 . . . . 0.0 110.547 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.552 HD21 ' H ' ' A' ' 23' ' ' THR . 0.9 OUTLIER -75.16 102.06 4.82 Favored 'General case' 0 N--CA 1.494 1.775 0 CA-C-N 114.979 -1.009 . . . . 0.0 108.7 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -79.04 -39.03 35.03 Favored 'General case' 0 N--CA 1.499 2.019 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.552 ' H ' HD21 ' A' ' 20' ' ' ASN . 66.8 p -93.08 -9.67 38.77 Favored 'General case' 0 N--CA 1.494 1.761 0 CA-C-N 114.083 -1.417 . . . . 0.0 108.897 179.716 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.24 30.59 19.98 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 105.87 -1.9 . . . . 0.0 105.87 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.478 ' HA ' ' H ' ' A' ' 8' ' ' CYS . 90.2 mtt-85 -139.65 172.79 12.28 Favored 'General case' 0 N--CA 1.496 1.871 0 CA-C-N 113.683 -1.599 . . . . 0.0 110.298 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.553 ' SG ' ' HB3' ' A' ' 6' ' ' SER . 64.5 m -80.75 -176.93 6.08 Favored 'General case' 0 N--CA 1.5 2.07 0 C-N-CA 119.986 -0.685 . . . . 0.0 111.538 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -85.28 -85.88 0.14 Allowed 'General case' 0 N--CA 1.497 1.875 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.159 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.241 0 O-C-N 118.94 -2.35 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.6 p . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -131.2 111.27 11.78 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 123.856 0.723 . . . . 0.0 110.592 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.405 ' HB2' HD22 ' A' ' 4' ' ' HYP . 50.8 m -71.47 -35.42 70.84 Favored 'General case' 0 N--CA 1.495 1.781 0 CA-C-O 117.435 -1.269 . . . . 0.0 113.448 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . 0.405 HD22 ' HB2' ' A' ' 3' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 111.1 -20.29 23.99 Favored Glycine 0 N--CA 1.502 3.049 0 N-CA-C 117.612 1.805 . . . . 0.0 117.612 179.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.583 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 47.7 t -66.5 113.15 4.5 Favored 'General case' 0 N--CA 1.498 1.973 0 C-N-CA 118.85 -1.14 . . . . 0.0 109.405 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 74.5 p -51.84 95.6 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.804 0 O-C-N 125.146 1.529 . . . . 0.0 113.439 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.823 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 31.6 p -150.76 164.36 36.38 Favored 'General case' 0 N--CA 1.491 1.606 0 CA-C-N 114.526 -1.215 . . . . 0.0 111.038 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.7 m -147.95 -131.88 0.06 Allowed 'General case' 0 N--CA 1.492 1.636 0 CA-C-N 114.275 -1.33 . . . . 0.0 109.364 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.6 t -148.44 9.81 0.84 Allowed 'General case' 0 N--CA 1.498 1.938 0 O-C-N 124.084 0.865 . . . . 0.0 111.624 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.1 m -58.29 -50.62 72.97 Favored 'General case' 0 N--CA 1.498 1.933 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.655 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 59.76 8.41 1.33 Allowed 'General case' 0 N--CA 1.502 2.137 0 O-C-N 124.709 1.255 . . . . 0.0 112.895 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 47.3 p30 -71.46 -4.17 25.11 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.823 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 61.5 m -87.06 156.95 19.53 Favored 'General case' 0 N--CA 1.493 1.679 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.63 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 60.5 m -76.72 -40.72 47.68 Favored 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 104.251 -2.5 . . . . 0.0 104.251 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 25.4 tpt180 -90.82 -93.8 0.13 Allowed 'General case' 0 N--CA 1.49 1.559 0 CA-C-N 113.244 -1.798 . . . . 0.0 106.772 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.9 m -157.07 179.25 9.47 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 123.767 0.667 . . . . 0.0 109.462 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.623 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 98.2 m -107.6 103.2 12.45 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 123.991 0.807 . . . . 0.0 111.703 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.47 ' ND2' ' H ' ' A' ' 22' ' ' TYR . 2.8 t30 -66.49 130.77 44.31 Favored 'General case' 0 N--CA 1.497 1.885 0 CA-C-N 114.81 -1.087 . . . . 0.0 110.398 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.47 ' H ' ' ND2' ' A' ' 20' ' ' ASN . 19.1 m-85 -78.87 -43.67 24.53 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 124.246 0.966 . . . . 0.0 108.502 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.0 t -105.63 -10.79 16.62 Favored 'General case' 0 N--CA 1.492 1.656 0 CA-C-N 114.258 -1.337 . . . . 0.0 108.812 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 60.8 mttp 61.47 45.76 8.1 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 124.564 1.165 . . . . 0.0 110.098 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 90.9 mtt-85 -142.67 162.45 35.44 Favored 'General case' 0 N--CA 1.498 1.973 0 CA-C-N 113.248 -1.797 . . . . 0.0 107.319 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.583 ' SG ' ' HB3' ' A' ' 6' ' ' SER . 69.2 m -63.36 153.52 34.78 Favored 'General case' 0 N--CA 1.5 2.056 0 C-N-CA 119.568 -0.853 . . . . 0.0 111.533 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -66.32 94.38 0.26 Allowed 'General case' 0 N--CA 1.502 2.154 0 CA-C-O 122.126 0.965 . . . . 0.0 111.182 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.384 0 O-C-N 119.245 -2.16 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 32.0 p . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -118.44 118.97 33.18 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 106.338 -1.727 . . . . 0.0 106.338 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.0 m -74.11 -47.55 35.51 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 59.95 12.62 22.84 Favored Glycine 0 N--CA 1.497 2.705 0 O-C-N 124.581 1.176 . . . . 0.0 113.26 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.411 ' OG ' ' SG ' ' A' ' 26' ' ' CYS . 61.6 p -88.15 126.71 35.27 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-O 121.275 0.56 . . . . 0.0 110.271 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 52.7 m -43.24 128.65 4.73 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 115.368 1.618 . . . . 0.0 115.368 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 40.7 t -147.34 144.73 28.97 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-N 113.619 -1.628 . . . . 0.0 109.442 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.445 ' H ' ' HG ' ' A' ' 12' ' ' SER . 49.8 m -115.48 -80.99 0.6 Allowed 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 107.667 -1.235 . . . . 0.0 107.667 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . 0.442 ' CD ' ' CB ' ' A' ' 9' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.8 p -83.01 32.27 0.43 Allowed 'General case' 0 N--CA 1.496 1.853 0 O-C-N 124.61 1.194 . . . . 0.0 113.026 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.445 ' HG ' ' H ' ' A' ' 9' ' ' SER . 64.0 m -76.9 -35.1 57.62 Favored 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 55.96 13.36 1.11 Allowed 'General case' 0 N--CA 1.501 2.105 0 O-C-N 124.661 1.226 . . . . 0.0 113.609 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -76.36 -41.08 49.32 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.447 ' SG ' ' HA ' ' A' ' 19' ' ' CYS . 63.8 m -51.63 107.94 0.23 Allowed 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 63.3 m -66.19 -45.44 80.82 Favored 'General case' 0 N--CA 1.5 2.07 0 N-CA-C 105.546 -2.02 . . . . 0.0 105.546 179.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.1 tpp180 -83.34 -86.38 0.11 Allowed 'General case' 0 N--CA 1.491 1.598 0 CA-C-N 113.313 -1.767 . . . . 0.0 109.698 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 69.9 m -150.1 167.47 26.71 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 123.741 0.651 . . . . 0.0 111.117 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.447 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 51.8 t -97.21 109.88 22.54 Favored 'General case' 0 N--CA 1.497 1.903 0 CA-C-N 114.332 -1.303 . . . . 0.0 111.34 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.424 HD21 ' C ' ' A' ' 20' ' ' ASN . 0.1 OUTLIER -83.17 92.05 7.37 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 124.521 1.138 . . . . 0.0 108.002 179.915 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -79.43 -29.33 41.85 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 124.61 1.194 . . . . 0.0 108.794 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.7 t -119.13 -2.76 10.68 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-N 114.146 -1.388 . . . . 0.0 110.451 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 60.0 mttp 75.13 19.05 2.36 Favored 'General case' 0 N--CA 1.506 2.329 0 N-CA-C 115.738 1.755 . . . . 0.0 115.738 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? -130.0 -168.22 1.93 Allowed 'General case' 0 N--CA 1.504 2.255 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 179.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.411 ' SG ' ' OG ' ' A' ' 6' ' ' SER . 63.0 m -95.44 168.15 10.88 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -78.79 113.71 17.1 Favored 'General case' 0 N--CA 1.496 1.872 0 CA-C-O 121.877 0.846 . . . . 0.0 110.022 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.429 0 O-C-N 119.409 -2.057 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 22.7 p . . . . . 0 N--CA 1.489 1.482 0 CA-C-O 121.352 0.596 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -89.12 -159.01 0.53 Allowed 'General case' 0 N--CA 1.5 2.071 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.405 ' HB2' HD22 ' A' ' 4' ' ' HYP . 74.6 m -167.18 -43.09 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.161 0 CA-C-O 118.001 -0.999 . . . . 0.0 111.822 179.502 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . 0.405 HD22 ' HB2' ' A' ' 3' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 65.85 3.43 15.97 Favored Glycine 0 N--CA 1.498 2.79 0 O-C-N 123.961 0.788 . . . . 0.0 112.92 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.505 ' OG ' ' SG ' ' A' ' 15' ' ' CYS . 53.8 p -81.76 127.82 33.36 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 51.1 m -50.38 133.65 24.15 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 114.363 1.246 . . . . 0.0 114.363 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 27.4 p -150.38 -172.63 4.23 Favored 'General case' 0 N--CA 1.496 1.839 0 CA-C-N 113.755 -1.566 . . . . 0.0 107.571 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.452 ' CB ' HD22 ' A' ' 10' ' ' HYP . 66.2 m -139.84 -58.83 0.56 Allowed 'General case' 0 N--CA 1.501 2.099 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . 0.452 HD22 ' CB ' ' A' ' 9' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 86.9 m -152.9 55.03 0.78 Allowed 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 105.37 -2.085 . . . . 0.0 105.37 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.2 m -66.87 -3.77 7.73 Favored 'General case' 0 N--CA 1.497 1.919 0 CA-C-N 114.044 -1.434 . . . . 0.0 112.9 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 59.16 9.86 1.47 Allowed 'General case' 0 N--CA 1.503 2.219 0 O-C-N 123.947 0.779 . . . . 0.0 112.618 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.552 ' H ' HD21 ' A' ' 14' ' ' ASN . 1.0 OUTLIER -60.42 -26.44 66.7 Favored 'General case' 0 N--CA 1.497 1.914 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.797 179.903 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.505 ' SG ' ' OG ' ' A' ' 6' ' ' SER . 77.1 m -107.01 175.91 5.35 Favored 'General case' 0 N--CA 1.489 1.496 0 CA-C-N 114.475 -1.239 . . . . 0.0 111.528 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.9 m -90.56 -46.94 7.99 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-N 113.221 -1.809 . . . . 0.0 107.886 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -75.09 -103.51 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 CA-C-N 114.115 -1.402 . . . . 0.0 111.517 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 68.5 m -152.61 176.23 11.95 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 123.686 0.616 . . . . 0.0 110.217 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.4 t -101.61 105.86 16.85 Favored 'General case' 0 N--CA 1.493 1.702 0 CA-C-N 114.778 -1.101 . . . . 0.0 113.734 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -69.46 96.61 0.92 Allowed 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 106.972 -1.492 . . . . 0.0 106.972 179.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -79.69 -31.52 41.32 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 124.814 1.321 . . . . 0.0 107.572 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 76.7 p -114.89 -5.72 12.59 Favored 'General case' 0 N--CA 1.494 1.75 0 CA-C-N 114.143 -1.39 . . . . 0.0 109.734 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.478 ' HD2' ' N ' ' A' ' 24' ' ' LYS . 11.0 mptt 63.47 28.59 15.41 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 124.525 1.14 . . . . 0.0 110.571 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 62.0 mtm180 -129.86 175.93 8.45 Favored 'General case' 0 N--CA 1.5 2.045 0 N-CA-C 105.196 -2.15 . . . . 0.0 105.196 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 72.6 m -91.96 170.18 10.06 Favored 'General case' 0 N--CA 1.499 2.003 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -74.5 101.19 4.08 Favored 'General case' 0 N--CA 1.499 2.015 0 CA-C-O 122.258 1.028 . . . . 0.0 113.164 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.441 0 O-C-N 119.529 -1.982 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.4 p . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -142.93 104.8 4.37 Favored 'General case' 0 N--CA 1.504 2.25 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.0 m -60.18 -42.91 96.03 Favored 'General case' 0 N--CA 1.496 1.834 0 CA-C-O 117.624 -1.179 . . . . 0.0 113.213 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 89.46 -5.28 84.02 Favored Glycine 0 N--CA 1.497 2.763 0 N-CA-C 117.232 1.653 . . . . 0.0 117.232 179.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.593 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 44.4 t -76.25 135.06 39.66 Favored 'General case' 0 N--CA 1.5 2.069 0 C-N-CA 118.286 -1.365 . . . . 0.0 109.024 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 55.6 m -54.76 92.84 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.737 0 O-C-N 125.198 1.561 . . . . 0.0 115.184 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.614 ' SG ' ' HB2' ' A' ' 12' ' ' SER . 53.2 t -150.39 143.89 25.12 Favored 'General case' 0 N--CA 1.494 1.737 0 CA-C-N 114.896 -1.047 . . . . 0.0 108.737 179.533 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.43 ' HB2' HD22 ' A' ' 10' ' ' HYP . 70.3 m -133.45 -74.64 0.49 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 124.117 0.886 . . . . 0.0 112.027 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . 0.43 HD22 ' HB2' ' A' ' 9' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 74.4 p -132.87 22.17 4.2 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 125.504 1.753 . . . . 0.0 110.114 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.614 ' HB2' ' SG ' ' A' ' 8' ' ' CYS . 57.2 m -66.46 -26.71 67.33 Favored 'General case' 0 N--CA 1.504 2.235 0 C-N-CA 119.144 -1.022 . . . . 0.0 108.642 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 44.38 19.56 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.058 0 N-CA-C 117.939 2.57 . . . . 0.0 117.939 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 24.0 p30 -72.79 1.0 9.37 Favored 'General case' 0 N--CA 1.501 2.115 0 C-N-CA 118.928 -1.109 . . . . 0.0 110.797 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.598 ' SG ' ' SG ' ' A' ' 19' ' ' CYS . 57.7 m -89.38 156.39 18.72 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 123.843 0.715 . . . . 0.0 111.438 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 65.2 m -86.36 -49.61 7.52 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 105.711 -1.959 . . . . 0.0 105.711 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 57.2 ttt85 -81.96 -85.4 0.11 Allowed 'General case' 0 N--CA 1.49 1.561 0 CA-C-N 113.591 -1.64 . . . . 0.0 109.351 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 69.2 m -150.14 169.63 20.84 Favored 'General case' 0 N--CA 1.495 1.793 0 CA-C-O 121.656 0.741 . . . . 0.0 111.574 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.598 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 92.4 m -104.28 99.1 8.81 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-N 113.415 -1.72 . . . . 0.0 112.115 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -70.12 96.49 1.08 Allowed 'General case' 0 N--CA 1.495 1.795 0 CA-C-N 113.986 -1.461 . . . . 0.0 109.776 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -90.18 -29.87 17.96 Favored 'General case' 0 N--CA 1.499 2.0 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 179.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 71.5 p -118.2 -12.61 9.96 Favored 'General case' 0 N--CA 1.499 1.995 0 CA-C-N 114.501 -1.227 . . . . 0.0 109.41 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.542 ' HE2' ' N ' ' A' ' 24' ' ' LYS . 0.1 OUTLIER 83.69 16.13 0.27 Allowed 'General case' 0 N--CA 1.501 2.087 0 C-N-CA 126.161 1.785 . . . . 0.0 111.274 -179.782 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -119.19 -168.64 1.6 Allowed 'General case' 0 N--CA 1.502 2.143 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.678 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.593 ' SG ' ' HB3' ' A' ' 6' ' ' SER . 70.1 m -93.67 165.15 12.85 Favored 'General case' 0 N--CA 1.498 1.974 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 179.578 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -74.2 -76.44 0.13 Allowed 'General case' 0 N--CA 1.499 2.002 0 C-N-CA 119.577 -0.849 . . . . 0.0 110.146 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.351 0 O-C-N 119.071 -2.268 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.1 p . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.908 0.861 . . . . 0.0 110.059 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.565 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 14.3 mmmm -104.29 179.38 4.29 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 104.304 -2.48 . . . . 0.0 104.304 179.433 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.9 m -156.4 -17.84 0.1 Allowed 'General case' 0 N--CA 1.502 2.125 0 CA-C-O 118.239 -0.886 . . . . 0.0 112.539 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 68.53 22.42 75.01 Favored Glycine 0 N--CA 1.493 2.437 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 179.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.647 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 31.9 t -84.21 117.55 23.59 Favored 'General case' 0 N--CA 1.502 2.125 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 77.3 p -43.9 83.57 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.131 0 N-CA-C 116.957 2.206 . . . . 0.0 116.957 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.805 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 30.6 p -151.81 170.43 19.81 Favored 'General case' 0 N--CA 1.497 1.893 0 CA-C-N 115.326 -0.852 . . . . 0.0 112.156 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.3 m -144.82 -72.51 0.26 Allowed 'General case' 0 N--CA 1.493 1.692 0 CA-C-N 114.594 -1.185 . . . . 0.0 113.127 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 76.2 p -122.59 21.62 10.08 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 125.442 1.714 . . . . 0.0 110.394 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.6 m -59.98 -49.72 76.58 Favored 'General case' 0 N--CA 1.501 2.101 0 C-N-CA 119.925 -0.71 . . . . 0.0 110.256 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 55.59 15.9 1.69 Allowed 'General case' 0 N--CA 1.501 2.1 0 N-CA-C 114.551 1.315 . . . . 0.0 114.551 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -64.33 -31.1 72.16 Favored 'General case' 0 N--CA 1.502 2.154 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.989 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.647 ' SG ' ' HB3' ' A' ' 6' ' ' SER . 79.1 m -93.44 142.69 27.04 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 123.859 0.724 . . . . 0.0 110.113 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 64.5 m -72.03 -15.78 62.04 Favored 'General case' 0 N--CA 1.496 1.828 0 C-N-CA 119.627 -0.829 . . . . 0.0 109.766 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.7 mmt85 -88.06 -108.98 0.07 Allowed 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 107.281 -1.378 . . . . 0.0 107.281 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.6 m -151.8 165.47 34.36 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 123.264 0.352 . . . . 0.0 110.248 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 97.7 m -104.88 102.23 11.78 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 124.382 1.051 . . . . 0.0 112.371 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.465 HD21 ' HG1' ' A' ' 23' ' ' THR . 10.4 t30 -70.09 125.67 27.45 Favored 'General case' 0 N--CA 1.497 1.886 0 CA-C-N 114.805 -1.089 . . . . 0.0 109.96 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.435 ' HB2' HD22 ' A' ' 20' ' ' ASN . 19.4 m-85 -79.42 -45.34 19.64 Favored 'General case' 0 N--CA 1.499 2.021 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 -179.742 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.465 ' HG1' HD21 ' A' ' 20' ' ' ASN . 67.1 p -95.02 -9.87 32.56 Favored 'General case' 0 N--CA 1.494 1.735 0 CA-C-N 114.2 -1.364 . . . . 0.0 110.615 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.2 tttp 61.44 35.73 17.58 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 107.342 -1.355 . . . . 0.0 107.342 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 43.0 mtm105 -142.42 161.89 36.87 Favored 'General case' 0 N--CA 1.5 2.045 0 CA-C-N 113.991 -1.458 . . . . 0.0 108.453 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.805 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 80.7 m -72.82 169.28 17.11 Favored 'General case' 0 N--CA 1.496 1.838 0 C-N-CA 119.453 -0.899 . . . . 0.0 111.887 179.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -76.57 -82.99 0.07 Allowed 'General case' 0 N--CA 1.498 1.929 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.409 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.37 0 O-C-N 119.0 -2.312 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 30.1 p . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.486 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 65.9 mttm -150.79 -161.81 1.42 Allowed 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 103.885 -2.635 . . . . 0.0 103.885 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.2 m -154.74 -49.43 0.09 Allowed 'General case' 0 N--CA 1.504 2.242 0 N-CA-C 113.326 0.862 . . . . 0.0 113.326 179.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 60.58 21.04 57.15 Favored Glycine 0 N--CA 1.497 2.732 0 O-C-N 123.95 0.781 . . . . 0.0 114.279 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.527 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 39.0 t -81.31 139.71 35.23 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 77.4 p -45.36 84.09 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.1 0 N-CA-C 115.297 1.591 . . . . 0.0 115.297 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.599 ' SG ' ' HB2' ' A' ' 12' ' ' SER . 51.4 t -151.41 135.08 16.32 Favored 'General case' 0 N--CA 1.493 1.683 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.013 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.442 ' HB2' HD22 ' A' ' 10' ' ' HYP . 72.8 m -110.34 -77.45 0.59 Allowed 'General case' 0 N--CA 1.495 1.82 0 N-CA-C 113.291 0.848 . . . . 0.0 113.291 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . 0.442 HD22 ' HB2' ' A' ' 9' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.413 ' C ' ' H ' ' A' ' 13' ' ' TYR . 88.8 m -150.65 45.82 0.86 Allowed 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 104.81 -2.292 . . . . 0.0 104.81 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.599 ' HB2' ' SG ' ' A' ' 8' ' ' CYS . 51.0 m -60.33 0.05 0.21 Allowed 'General case' 0 N--CA 1.51 2.526 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.413 ' H ' ' C ' ' A' ' 11' ' ' THR . 68.6 m-85 60.97 23.92 14.02 Favored 'General case' 0 N--CA 1.503 2.179 0 C-N-CA 123.474 0.71 . . . . 0.0 112.758 179.751 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -78.25 -57.68 3.65 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-N 115.21 -0.904 . . . . 0.0 111.534 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.527 ' SG ' ' HB3' ' A' ' 6' ' ' SER . 82.2 m -102.38 136.17 42.68 Favored 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 114.491 1.293 . . . . 0.0 114.491 -179.677 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.7 m -69.49 -22.57 63.61 Favored 'General case' 0 N--CA 1.499 2.009 0 CA-C-N 114.739 -1.118 . . . . 0.0 109.641 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.9 mmt180 -73.19 -96.77 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 107.3 -1.37 . . . . 0.0 107.3 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.7 m -155.65 156.88 35.76 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 95.2 m -107.75 103.03 12.21 Favored 'General case' 0 N--CA 1.491 1.604 0 CA-C-N 114.265 -1.334 . . . . 0.0 111.04 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.453 HD22 ' HB2' ' A' ' 22' ' ' TYR . 1.3 t30 -64.78 117.23 7.21 Favored 'General case' 0 N--CA 1.491 1.585 0 CA-C-N 113.868 -1.515 . . . . 0.0 111.087 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.453 ' HB2' HD22 ' A' ' 20' ' ' ASN . 72.9 m-85 -79.08 -5.22 53.55 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 124.695 1.247 . . . . 0.0 111.428 -179.729 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 68.7 p -140.7 -12.15 1.0 Allowed 'General case' 0 N--CA 1.5 2.027 0 O-C-N 123.969 0.793 . . . . 0.0 109.436 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt 67.07 27.3 8.71 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 124.795 1.309 . . . . 0.0 109.508 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.441 ' HA ' ' H ' ' A' ' 8' ' ' CYS . 81.7 mtt85 -129.81 178.33 6.6 Favored 'General case' 0 N--CA 1.496 1.87 0 CA-C-N 113.232 -1.804 . . . . 0.0 107.121 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 62.7 m -91.66 -176.35 4.45 Favored 'General case' 0 N--CA 1.496 1.838 0 CA-C-N 119.111 0.869 . . . . 0.0 110.743 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -95.64 -71.35 0.67 Allowed 'General case' 0 N--CA 1.497 1.909 0 CA-C-O 121.758 0.79 . . . . 0.0 109.203 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.31 0 O-C-N 119.044 -2.285 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.0 p . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.453 ' N ' ' HD2' ' A' ' 2' ' ' LYS . 1.9 mptp? -107.79 124.98 50.86 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 103.638 -2.727 . . . . 0.0 103.638 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.2 m -82.36 -45.86 14.34 Favored 'General case' 0 N--CA 1.507 2.377 0 N-CA-C 116.159 1.911 . . . . 0.0 116.159 -179.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 56.29 21.18 32.14 Favored Glycine 0 N--CA 1.498 2.818 0 O-C-N 124.553 1.158 . . . . 0.0 113.605 179.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.616 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 44.7 m -81.82 114.02 20.16 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 53.6 m -45.32 90.26 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.065 0 N-CA-C 116.991 2.219 . . . . 0.0 116.991 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.908 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 28.4 p -151.45 171.1 18.07 Favored 'General case' 0 N--CA 1.495 1.79 0 CA-C-N 114.985 -1.007 . . . . 0.0 112.264 179.634 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.454 ' CB ' HD22 ' A' ' 10' ' ' HYP . 66.6 m -142.52 -145.36 0.17 Allowed 'General case' 0 N--CA 1.494 1.733 0 CA-C-N 114.066 -1.425 . . . . 0.0 107.357 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . 0.454 HD22 ' CB ' ' A' ' 9' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.427 ' HA ' ' CZ ' ' A' ' 13' ' ' TYR . 72.3 p -74.31 10.28 1.34 Allowed 'General case' 0 N--CA 1.497 1.893 0 O-C-N 124.503 1.127 . . . . 0.0 113.767 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.0 m -64.57 -43.46 93.83 Favored 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.427 ' CZ ' ' HA ' ' A' ' 11' ' ' THR . 21.3 m-85 56.86 12.4 1.16 Allowed 'General case' 0 N--CA 1.502 2.142 0 CA-C-N 114.284 -1.326 . . . . 0.0 112.162 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -67.8 -30.51 69.95 Favored 'General case' 0 N--CA 1.494 1.735 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.017 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.908 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 62.3 m -69.58 126.78 30.76 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 115.687 1.736 . . . . 0.0 115.687 -179.646 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 63.1 m -67.06 -29.55 69.36 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 103.576 -2.75 . . . . 0.0 103.576 179.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.0 mmt85 -99.68 -88.73 0.34 Allowed 'General case' 0 N--CA 1.489 1.481 0 CA-C-N 113.247 -1.797 . . . . 0.0 107.366 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.401 ' C ' ' SG ' ' A' ' 15' ' ' CYS . 70.5 m -162.24 159.07 25.24 Favored 'General case' 0 N--CA 1.509 2.49 0 O-C-N 123.552 0.532 . . . . 0.0 110.601 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.827 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 70.8 m -94.82 100.39 12.28 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 123.816 0.697 . . . . 0.0 110.172 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.415 HD22 ' HB2' ' A' ' 22' ' ' TYR . 10.6 t30 -63.29 128.6 36.59 Favored 'General case' 0 N--CA 1.498 1.945 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.988 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.415 ' HB2' HD22 ' A' ' 20' ' ' ASN . 19.7 m-85 -79.64 -32.39 41.66 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 124.077 0.86 . . . . 0.0 109.716 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 74.3 p -120.19 -3.24 10.06 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 124.393 1.058 . . . . 0.0 110.778 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm 62.14 37.67 14.3 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 124.223 0.952 . . . . 0.0 109.217 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 86.7 mtm180 -138.27 158.19 44.79 Favored 'General case' 0 N--CA 1.499 2.002 0 CA-C-N 113.9 -1.5 . . . . 0.0 107.734 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.616 ' SG ' ' HB2' ' A' ' 6' ' ' SER . 61.6 m -67.25 167.36 12.42 Favored 'General case' 0 N--CA 1.502 2.138 0 C-N-CA 119.392 -0.923 . . . . 0.0 112.485 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -77.71 -66.58 0.82 Allowed 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.297 0 O-C-N 119.159 -2.213 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.1 p . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 121.758 0.789 . . . . 0.0 109.935 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.444 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 5.5 mtpm? -115.36 -167.38 1.24 Allowed 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 103.054 -2.943 . . . . 0.0 103.054 179.65 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.5 m -154.46 -45.96 0.09 Allowed 'General case' 0 N--CA 1.504 2.239 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 49.48 36.75 24.59 Favored Glycine 0 N--CA 1.499 2.883 0 O-C-N 124.818 1.324 . . . . 0.0 111.443 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.619 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 60.6 m -94.56 120.14 34.33 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-N 113.752 -1.224 . . . . 0.0 110.32 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 55.7 m -42.78 109.22 0.12 Allowed 'General case' 0 N--CA 1.498 1.925 0 O-C-N 124.66 1.225 . . . . 0.0 112.958 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.3 p -127.29 176.26 7.55 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-N 113.962 -1.472 . . . . 0.0 109.366 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.453 ' CB ' ' CD ' ' A' ' 10' ' ' HYP . 45.1 m -128.61 -102.74 0.32 Allowed 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 106.441 -1.689 . . . . 0.0 106.441 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . 0.453 ' CD ' ' CB ' ' A' ' 9' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.0 t -77.92 4.84 11.02 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 124.725 1.266 . . . . 0.0 112.559 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 63.4 m -56.43 -53.51 56.55 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 123.257 0.348 . . . . 0.0 110.592 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 51.29 19.21 0.72 Allowed 'General case' 0 N--CA 1.502 2.138 0 O-C-N 124.622 1.201 . . . . 0.0 113.175 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -62.82 -38.02 89.09 Favored 'General case' 0 N--CA 1.497 1.882 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.484 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.619 ' SG ' ' HB2' ' A' ' 6' ' ' SER . 62.3 m -92.25 149.38 21.49 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 124.709 1.255 . . . . 0.0 113.297 -179.779 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 64.7 m -84.49 -15.37 46.22 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 124.385 1.053 . . . . 0.0 109.558 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -79.26 -107.48 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 68.9 m -155.23 162.15 40.99 Favored 'General case' 0 N--CA 1.498 1.966 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 46.1 t -97.9 104.43 16.46 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 124.026 0.829 . . . . 0.0 112.639 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.419 HD22 ' HB2' ' A' ' 22' ' ' TYR . 1.4 t30 -65.04 106.54 1.29 Allowed 'General case' 0 N--CA 1.496 1.84 0 CA-C-N 114.871 -1.059 . . . . 0.0 108.203 179.723 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.419 ' HB2' HD22 ' A' ' 20' ' ' ASN . 67.6 m-85 -79.67 -14.27 58.9 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 124.513 1.133 . . . . 0.0 110.242 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 73.4 p -133.44 -6.42 2.93 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 124.074 0.859 . . . . 0.0 111.025 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.45 ' HD3' ' N ' ' A' ' 24' ' ' LYS . 2.7 mppt? 57.78 41.93 24.24 Favored 'General case' 0 N--CA 1.502 2.169 0 CA-C-O 122.801 1.286 . . . . 0.0 109.719 -179.712 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 -140.04 167.01 23.12 Favored 'General case' 0 N--CA 1.499 1.998 0 CA-C-N 112.333 -2.212 . . . . 0.0 106.055 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.449 ' SG ' ' HB2' ' A' ' 6' ' ' SER . 85.1 m -81.58 -178.95 7.17 Favored 'General case' 0 N--CA 1.498 1.935 0 C-N-CA 119.445 -0.902 . . . . 0.0 113.108 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.3 m-30 -80.58 -82.82 0.11 Allowed 'General case' 0 N--CA 1.497 1.903 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.874 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.24 0 O-C-N 119.186 -2.196 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.9 p . . . . . 0 N--CA 1.49 1.537 0 CA-C-O 121.707 0.765 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.584 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 75.5 mmtt -125.77 -168.3 1.82 Allowed 'General case' 0 N--CA 1.492 1.652 0 CA-C-N 113.525 -1.67 . . . . 0.0 106.873 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.441 ' H ' ' CD ' ' A' ' 4' ' ' HYP . 69.5 m -162.39 -35.94 0.04 OUTLIER 'General case' 0 N--CA 1.503 2.191 0 CA-C-O 118.505 -0.76 . . . . 0.0 112.033 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . 0.441 ' CD ' ' H ' ' A' ' 3' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 52.38 24.69 17.48 Favored Glycine 0 N--CA 1.498 2.794 0 O-C-N 124.989 1.431 . . . . 0.0 113.147 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.587 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 67.6 m -86.72 132.46 33.86 Favored 'General case' 0 C--N 1.303 -1.416 0 CA-C-N 114.651 -0.774 . . . . 0.0 110.552 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 53.5 m -50.3 121.85 6.15 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 124.258 0.974 . . . . 0.0 112.922 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 24.1 p -150.55 -172.7 4.25 Favored 'General case' 0 N--CA 1.497 1.918 0 CA-C-N 114.238 -1.346 . . . . 0.0 109.456 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.45 ' CB ' ' CD ' ' A' ' 10' ' ' HYP . 45.7 m -142.05 -106.61 0.14 Allowed 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . 0.45 ' CD ' ' CB ' ' A' ' 9' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.9 t -68.57 -8.8 44.93 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 124.582 1.176 . . . . 0.0 111.56 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.6 m -55.17 -54.21 46.14 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 123.8 0.688 . . . . 0.0 111.145 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 53.09 23.67 3.13 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 124.659 1.225 . . . . 0.0 110.685 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -63.05 -26.88 69.05 Favored 'General case' 0 N--CA 1.495 1.815 0 CA-C-N 114.681 -1.145 . . . . 0.0 111.055 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.587 ' SG ' ' HB2' ' A' ' 6' ' ' SER . 76.2 m -108.62 133.61 52.5 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 124.609 1.193 . . . . 0.0 112.726 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 98.2 m -71.73 -20.79 61.85 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 124.241 0.963 . . . . 0.0 110.835 179.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.405 ' CD ' ' N ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -79.22 -97.94 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 106.307 -1.738 . . . . 0.0 106.307 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.405 ' N ' ' CD ' ' A' ' 17' ' ' ARG . 64.5 m -157.54 157.95 34.73 Favored 'General case' 0 N--CA 1.5 2.028 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 54.0 t -100.43 108.82 20.9 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 124.285 0.99 . . . . 0.0 112.737 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.475 HD21 ' HG1' ' A' ' 23' ' ' THR . 3.7 t30 -67.36 98.1 0.61 Allowed 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 179.705 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -79.21 -16.64 56.22 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 124.612 1.195 . . . . 0.0 109.571 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.475 ' HG1' HD21 ' A' ' 20' ' ' ASN . 73.8 p -131.37 -6.15 3.77 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 124.4 1.062 . . . . 0.0 110.171 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt 63.57 33.43 13.37 Favored 'General case' 0 N--CA 1.501 2.113 0 CA-C-O 122.318 1.056 . . . . 0.0 109.191 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 73.1 mtp180 -130.6 169.47 15.56 Favored 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 105.181 -2.155 . . . . 0.0 105.181 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 82.0 m -88.71 179.05 6.32 Favored 'General case' 0 N--CA 1.494 1.743 0 C-N-CA 119.249 -0.981 . . . . 0.0 112.913 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -73.3 -91.83 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.903 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.77 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.289 0 O-C-N 118.939 -2.351 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 25.7 p . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 122.105 0.955 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.581 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -96.08 -171.28 2.28 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-N 112.855 -1.975 . . . . 0.0 106.328 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.2 m . . . . . 0 N--CA 1.5 2.061 0 CA-C-O 118.647 -0.692 . . . . 0.0 110.874 179.825 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.673 0 N-CA-C 114.351 0.5 . . . . 0.0 114.351 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.629 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 48.5 t -95.59 130.77 42.34 Favored 'General case' 0 N--CA 1.498 1.959 0 C-N-CA 120.407 -0.517 . . . . 0.0 109.893 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 78.4 p -44.19 133.46 5.3 Favored 'General case' 0 N--CA 1.5 2.055 0 N-CA-C 114.679 1.363 . . . . 0.0 114.679 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.6 p -150.62 139.11 20.5 Favored 'General case' 0 N--CA 1.497 1.895 0 CA-C-N 114.397 -1.274 . . . . 0.0 107.819 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.0 m . . . . . 0 N--CA 1.497 1.889 0 O-C-N 123.825 0.703 . . . . 0.0 112.845 -179.774 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 75.4 p . . . . . 0 N--CA 1.494 1.76 0 N-CA-C 107.34 -1.355 . . . . 0.0 107.34 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.3 m -63.66 -9.13 12.34 Favored 'General case' 0 N--CA 1.497 1.883 0 CA-C-N 113.696 -1.593 . . . . 0.0 111.674 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 58.97 15.82 4.22 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 124.355 1.034 . . . . 0.0 111.743 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -65.21 -24.11 67.26 Favored 'General case' 0 N--CA 1.493 1.688 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.186 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.629 ' SG ' ' HB3' ' A' ' 6' ' ' SER . 60.7 m -132.61 146.13 51.65 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 124.686 1.241 . . . . 0.0 112.438 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.0 m -85.14 -6.15 59.31 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 124.442 1.089 . . . . 0.0 108.455 179.375 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.1 tpp180 -84.91 -109.31 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 71.2 m -153.42 163.61 39.63 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 50.1 t -97.17 106.35 18.67 Favored 'General case' 0 N--CA 1.497 1.921 0 N-CA-C 114.639 1.348 . . . . 0.0 114.639 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 . . . . . 0 N--CA 1.495 1.82 0 CA-C-N 114.368 -1.287 . . . . 0.0 108.572 179.68 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 . . . . . 0 N--CA 1.5 2.027 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 76.8 p -97.02 -13.26 22.4 Favored 'General case' 0 N--CA 1.495 1.803 0 CA-C-N 114.377 -1.283 . . . . 0.0 110.711 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.9 tttm 65.43 31.38 10.35 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 106.225 -1.769 . . . . 0.0 106.225 -179.514 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -132.56 -176.67 4.17 Favored 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 105.341 -2.096 . . . . 0.0 105.341 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 61.9 m -88.44 170.68 10.7 Favored 'General case' 0 N--CA 1.493 1.713 0 C-N-CA 119.843 -0.743 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 . . . . . 0 N--CA 1.501 2.1 0 CA-C-O 121.677 0.751 . . . . 0.0 110.463 179.939 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.2 p . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.445 ' H ' ' HA ' ' A' ' 15' ' ' CYS . 66.3 mttm -120.3 110.47 16.59 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 123.844 0.715 . . . . 0.0 109.677 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.0 m . . . . . 0 N--CA 1.5 2.037 0 C-N-CA 119.384 -0.927 . . . . 0.0 112.318 -179.853 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.73 0 CA-C-O 120.43 -0.094 . . . . 0.0 113.244 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.569 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 40.6 t -64.42 102.43 0.54 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 124.012 0.477 . . . . 0.0 110.271 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 57.1 m -54.72 88.29 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.944 0 O-C-N 124.776 1.297 . . . . 0.0 112.844 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.802 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 26.7 p -150.9 172.95 14.86 Favored 'General case' 0 N--CA 1.491 1.614 0 CA-C-N 113.996 -1.456 . . . . 0.0 111.518 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.6 m . . . . . 0 N--CA 1.489 1.514 0 CA-C-N 113.763 -1.562 . . . . 0.0 107.771 179.798 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.5 p . . . . . 0 N--CA 1.496 1.845 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 53.0 m -68.89 -49.39 58.65 Favored 'General case' 0 N--CA 1.499 1.984 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 59.49 2.29 0.32 Allowed 'General case' 0 N--CA 1.504 2.254 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 48.5 p30 -69.82 -10.14 57.32 Favored 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.569 ' SG ' ' HB3' ' A' ' 6' ' ' SER . 90.8 m -93.77 162.69 13.82 Favored 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 42.5 m -81.94 -42.3 19.64 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 106.312 -1.736 . . . . 0.0 106.312 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -89.64 -108.09 0.08 Allowed 'General case' 0 N--CA 1.492 1.63 0 CA-C-N 113.89 -1.505 . . . . 0.0 110.027 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 70.3 m -155.49 146.97 22.89 Favored 'General case' 0 N--CA 1.503 2.213 0 O-C-N 123.41 0.444 . . . . 0.0 109.901 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.559 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 62.5 m -77.99 110.7 13.15 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 123.923 0.765 . . . . 0.0 110.661 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 . . . . . 0 N--CA 1.495 1.804 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.679 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 . . . . . 0 N--CA 1.499 2.024 0 N-CA-C 107.724 -1.213 . . . . 0.0 107.724 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 74.6 p -117.84 -8.45 10.81 Favored 'General case' 0 N--CA 1.494 1.735 0 CA-C-N 114.302 -1.317 . . . . 0.0 110.906 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.579 ' HE2' ' N ' ' A' ' 24' ' ' LYS . 0.1 OUTLIER 60.1 32.31 20.92 Favored 'General case' 0 N--CA 1.503 2.184 0 N-CA-C 106.533 -1.654 . . . . 0.0 106.533 -179.72 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 89.7 mtm-85 -145.11 145.93 31.61 Favored 'General case' 0 N--CA 1.5 2.032 0 CA-C-N 114.089 -1.414 . . . . 0.0 109.722 -179.663 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.802 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 95.2 m -72.36 164.8 25.73 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 115.076 1.509 . . . . 0.0 115.076 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 . . . . . 0 N--CA 1.487 1.412 0 CA-C-N 113.191 -1.822 . . . . 0.0 112.948 -179.536 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.7 p . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 122.216 1.007 . . . . 0.0 110.802 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -111.03 -167.46 1.18 Allowed 'General case' 0 N--CA 1.49 1.527 0 CA-C-N 112.632 -2.076 . . . . 0.0 106.381 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.2 m . . . . . 0 N--CA 1.496 1.873 0 CA-C-O 118.338 -0.839 . . . . 0.0 112.443 179.97 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.566 0 N-CA-C 114.716 0.646 . . . . 0.0 114.716 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.625 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 46.6 t -77.14 135.46 38.55 Favored 'General case' 0 N--CA 1.495 1.809 0 C-N-CA 119.241 -0.983 . . . . 0.0 108.434 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 77.7 p -52.23 109.88 0.43 Allowed 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 115.963 1.838 . . . . 0.0 115.963 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.461 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 38.7 t -140.15 127.17 20.84 Favored 'General case' 0 N--CA 1.497 1.9 0 CA-C-N 114.765 -1.107 . . . . 0.0 108.488 179.602 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 62.7 m . . . . . 0 N--CA 1.493 1.703 0 O-C-N 123.952 0.782 . . . . 0.0 111.11 -179.785 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 68.9 p . . . . . 0 N--CA 1.497 1.912 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 56.0 m -70.42 -17.11 63.01 Favored 'General case' 0 N--CA 1.499 1.989 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.566 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 62.77 -6.93 0.15 Allowed 'General case' 0 N--CA 1.501 2.115 0 N-CA-C 116.507 2.04 . . . . 0.0 116.507 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -72.54 -1.82 17.4 Favored 'General case' 0 N--CA 1.502 2.132 0 C-N-CA 119.74 -0.784 . . . . 0.0 111.634 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.59 ' SG ' ' SG ' ' A' ' 19' ' ' CYS . 64.9 m -108.17 81.46 1.49 Allowed 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 120.049 -0.66 . . . . 0.0 110.554 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.0 m -65.82 -5.71 9.79 Favored 'General case' 0 N--CA 1.499 1.984 0 C-N-CA 117.956 -1.498 . . . . 0.0 110.77 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.27 -83.17 0.43 Allowed 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 102.686 -3.079 . . . . 0.0 102.686 179.603 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 67.9 m -160.76 150.51 17.43 Favored 'General case' 0 N--CA 1.504 2.251 0 O-C-N 123.717 0.636 . . . . 0.0 110.03 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.59 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 95.8 m -97.64 109.58 22.31 Favored 'General case' 0 N--CA 1.502 2.144 0 N-CA-C 114.687 1.366 . . . . 0.0 114.687 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.428 ' HA ' ' CZ ' ' A' ' 27' ' ' TYR . 23.1 t-20 . . . . . 0 N--CA 1.495 1.821 0 CA-C-N 114.234 -1.348 . . . . 0.0 108.781 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 . . . . . 0 N--CA 1.496 1.84 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 70.5 p -113.14 -3.67 13.91 Favored 'General case' 0 N--CA 1.496 1.859 0 CA-C-N 114.423 -1.262 . . . . 0.0 109.533 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.534 ' HD2' ' N ' ' A' ' 24' ' ' LYS . 11.1 mptt 62.38 45.48 6.54 Favored 'General case' 0 N--CA 1.495 1.82 0 CA-C-O 122.945 1.355 . . . . 0.0 109.594 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.0 mtp-105 -136.62 -171.52 2.93 Favored 'General case' 0 N--CA 1.496 1.826 0 CA-C-N 111.919 -2.4 . . . . 0.0 105.841 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.625 ' SG ' ' HB3' ' A' ' 6' ' ' SER . 58.6 m -101.58 171.24 7.68 Favored 'General case' 0 N--CA 1.506 2.359 0 C-N-CA 120.083 -0.647 . . . . 0.0 110.709 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.428 ' CZ ' ' HA ' ' A' ' 20' ' ' ASN . 84.7 m-85 . . . . . 0 N--CA 1.499 1.989 0 CA-C-O 121.721 0.772 . . . . 0.0 108.958 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.1 p . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.408 ' H ' ' HA ' ' A' ' 15' ' ' CYS . 47.1 mmtm -114.7 112.93 23.62 Favored 'General case' 0 N--CA 1.501 2.104 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.2 m . . . . . 0 N--CA 1.496 1.853 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 -179.729 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.584 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.417 ' OG ' ' SG ' ' A' ' 15' ' ' CYS . 58.3 p -75.34 140.67 43.21 Favored 'General case' 0 N--CA 1.485 1.318 0 CA-C-O 121.346 0.593 . . . . 0.0 110.413 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 81.6 p -48.91 116.54 1.69 Allowed 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 117.415 2.376 . . . . 0.0 117.415 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.41 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 42.2 t -150.78 131.51 14.05 Favored 'General case' 0 N--CA 1.496 1.83 0 CA-C-N 114.44 -1.254 . . . . 0.0 109.039 179.374 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.1 m . . . . . 0 N--CA 1.494 1.749 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 -179.82 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 75.7 p . . . . . 0 N--CA 1.495 1.822 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 55.0 m -70.88 -44.18 66.87 Favored 'General case' 0 N--CA 1.5 2.042 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 55.93 13.05 1.01 Allowed 'General case' 0 N--CA 1.501 2.09 0 O-C-N 124.752 1.283 . . . . 0.0 113.239 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 49.9 p30 -85.13 26.41 0.88 Allowed 'General case' 0 N--CA 1.495 1.805 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.241 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.417 ' SG ' ' OG ' ' A' ' 6' ' ' SER . 92.3 m -129.74 158.42 39.46 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-N 115.052 -0.976 . . . . 0.0 112.818 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 37.5 m -84.77 -50.15 7.84 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-N 114.134 -1.394 . . . . 0.0 111.337 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.1 mmt85 -73.02 -100.95 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.85 0 CA-C-N 114.578 -1.192 . . . . 0.0 112.267 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.444 ' HB2' ' CD1' ' A' ' 27' ' ' TYR . 65.0 m -143.63 -178.08 5.72 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.4 t -112.55 106.7 15.21 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 123.847 0.717 . . . . 0.0 111.368 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.501 ' H ' ' HA ' ' A' ' 26' ' ' CYS . 20.9 t-20 . . . . . 0 N--CA 1.493 1.699 0 CA-C-N 114.876 -1.057 . . . . 0.0 108.509 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 . . . . . 0 N--CA 1.499 1.991 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.0 t -117.86 2.0 12.15 Favored 'General case' 0 N--CA 1.496 1.835 0 CA-C-N 114.585 -1.189 . . . . 0.0 109.268 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt 63.33 38.33 10.3 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 124.246 0.966 . . . . 0.0 111.396 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 -135.22 -164.9 1.6 Allowed 'General case' 0 N--CA 1.5 2.054 0 N-CA-C 106.189 -1.782 . . . . 0.0 106.189 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.501 ' HA ' ' H ' ' A' ' 20' ' ' ASN . 93.2 m -115.17 175.18 5.62 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 123.868 0.73 . . . . 0.0 112.212 179.482 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.444 ' CD1' ' HB2' ' A' ' 18' ' ' SER . 52.0 m-85 . . . . . 0 N--CA 1.498 1.935 0 CA-C-O 121.69 0.757 . . . . 0.0 113.03 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 30.0 p . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.488 ' N ' ' HD2' ' A' ' 2' ' ' LYS . 2.3 mptp? -132.12 113.37 13.24 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 105.188 -2.153 . . . . 0.0 105.188 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.8 m . . . . . 0 N--CA 1.5 2.06 0 N-CA-C 115.438 1.644 . . . . 0.0 115.438 -179.593 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.649 0 N-CA-C 114.077 0.391 . . . . 0.0 114.077 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.539 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 46.9 t -71.6 146.14 48.56 Favored 'General case' 0 N--CA 1.495 1.812 0 C-N-CA 119.962 -0.695 . . . . 0.0 109.231 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 59.5 m -66.35 131.28 45.74 Favored 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.4 t -136.74 171.33 14.66 Favored 'General case' 0 N--CA 1.495 1.81 0 CA-C-N 113.42 -1.718 . . . . 0.0 108.246 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 65.4 m . . . . . 0 N--CA 1.495 1.81 0 CA-C-O 118.417 -0.801 . . . . 0.0 109.158 -179.928 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 90.5 m . . . . . 0 N--CA 1.498 1.954 0 CA-C-O 121.963 0.887 . . . . 0.0 109.518 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.4 m -71.16 6.69 1.53 Allowed 'General case' 0 N--CA 1.499 2.004 0 CA-C-N 114.207 -1.36 . . . . 0.0 111.582 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 65.41 5.8 3.36 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 124.201 0.938 . . . . 0.0 111.37 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 26.4 m-20 -83.11 -22.12 33.48 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.06 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.645 ' SG ' ' SG ' ' A' ' 19' ' ' CYS . 66.6 m -90.39 119.42 30.66 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 124.072 0.858 . . . . 0.0 113.196 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 77.9 m -73.45 -43.51 60.14 Favored 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 106.235 -1.765 . . . . 0.0 106.235 179.581 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.404 ' HA ' ' NE ' ' A' ' 17' ' ' ARG . 3.9 mmp_? -83.49 -83.47 0.14 Allowed 'General case' 0 N--CA 1.489 1.505 0 CA-C-N 113.686 -1.597 . . . . 0.0 108.437 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 67.9 m -156.83 170.33 22.73 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 123.748 0.655 . . . . 0.0 110.968 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.645 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 85.4 m -98.79 109.45 22.21 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 115.146 1.536 . . . . 0.0 115.146 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.427 ' HA ' ' CZ ' ' A' ' 27' ' ' TYR . 20.5 t-20 . . . . . 0 N--CA 1.492 1.654 0 CA-C-N 113.957 -1.474 . . . . 0.0 108.255 179.537 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 . . . . . 0 N--CA 1.498 1.963 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 79.4 p -142.87 11.08 1.81 Allowed 'General case' 0 N--CA 1.497 1.883 0 CA-C-N 114.961 -1.018 . . . . 0.0 109.355 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.5 ptmm? 50.41 30.48 4.62 Favored 'General case' 0 N--CA 1.502 2.162 0 C-N-CA 124.542 1.137 . . . . 0.0 112.948 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.4 mmt85 -117.47 -164.39 0.99 Allowed 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 106.01 -1.848 . . . . 0.0 106.01 179.434 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.539 ' SG ' ' HB3' ' A' ' 6' ' ' SER . 66.6 m -109.3 172.66 6.72 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 123.885 0.74 . . . . 0.0 109.276 179.587 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.427 ' CZ ' ' HA ' ' A' ' 20' ' ' ASN . 96.5 m-85 . . . . . 0 N--CA 1.497 1.877 0 CA-C-O 121.865 0.841 . . . . 0.0 109.562 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.8 p . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 15' ' ' CYS . 55.8 mtpt -124.45 114.55 19.62 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 105.571 -2.011 . . . . 0.0 105.571 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.5 m . . . . . 0 N--CA 1.498 1.969 0 N-CA-C 116.856 2.169 . . . . 0.0 116.856 -179.506 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.486 0 CA-C-O 119.384 -0.676 . . . . 0.0 114.497 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.633 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 38.5 t -74.4 124.28 26.22 Favored 'General case' 0 N--CA 1.497 1.903 0 C-N-CA 118.913 -1.115 . . . . 0.0 108.455 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 58.8 m -47.7 93.44 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.926 0 O-C-N 124.843 1.339 . . . . 0.0 114.386 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.659 ' SG ' ' HB2' ' A' ' 12' ' ' SER . 41.8 t -150.62 149.94 30.52 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-N 114.943 -1.026 . . . . 0.0 112.885 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.0 m . . . . . 0 N--CA 1.49 1.528 0 CA-C-N 112.738 -2.028 . . . . 0.0 106.37 179.828 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 71.0 p . . . . . 0 N--CA 1.503 2.196 0 N-CA-C 114.928 1.455 . . . . 0.0 114.928 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.659 ' HB2' ' SG ' ' A' ' 8' ' ' CYS . 66.9 m -60.1 -42.51 94.83 Favored 'General case' 0 N--CA 1.501 2.085 0 C-N-CA 119.977 -0.689 . . . . 0.0 110.834 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.43 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 25.0 m-85 48.27 14.82 0.06 Allowed 'General case' 0 N--CA 1.502 2.148 0 N-CA-C 116.407 2.002 . . . . 0.0 116.407 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 26.2 p30 -68.61 -9.79 51.98 Favored 'General case' 0 N--CA 1.503 2.179 0 C-N-CA 119.13 -1.028 . . . . 0.0 112.244 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.769 ' SG ' ' SG ' ' A' ' 19' ' ' CYS . 63.2 m -72.74 132.58 43.82 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 65.7 m -70.89 -45.99 63.37 Favored 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 105.743 -1.947 . . . . 0.0 105.743 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -86.87 -80.67 0.24 Allowed 'General case' 0 N--CA 1.496 1.841 0 CA-C-N 114.4 -1.273 . . . . 0.0 110.277 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 70.2 m -151.83 161.54 42.49 Favored 'General case' 0 N--CA 1.501 2.103 0 CA-C-O 121.548 0.689 . . . . 0.0 112.83 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.769 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 81.4 m -104.41 103.28 12.97 Favored 'General case' 0 N--CA 1.497 1.922 0 CA-C-N 113.536 -1.665 . . . . 0.0 112.41 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 . . . . . 0 N--CA 1.495 1.815 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.926 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 . . . . . 0 N--CA 1.499 2.024 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.9 t -78.38 -6.4 55.08 Favored 'General case' 0 N--CA 1.493 1.706 0 CA-C-N 114.84 -1.073 . . . . 0.0 108.869 179.627 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 58.8 tttm 60.34 31.3 20.36 Favored 'General case' 0 N--CA 1.493 1.704 0 CA-C-O 122.094 0.95 . . . . 0.0 109.463 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.405 ' HA ' ' H ' ' A' ' 8' ' ' CYS . 84.9 mtt85 -137.45 175.96 9.13 Favored 'General case' 0 N--CA 1.498 1.95 0 CA-C-N 114.417 -1.265 . . . . 0.0 108.643 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.633 ' SG ' ' HB3' ' A' ' 6' ' ' SER . 59.6 m -79.74 163.28 24.61 Favored 'General case' 0 N--CA 1.497 1.915 0 C-N-CA 119.805 -0.758 . . . . 0.0 110.859 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 . . . . . 0 N--CA 1.498 1.951 0 CA-C-O 121.844 0.83 . . . . 0.0 109.538 179.872 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.4 p . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.586 ' HA ' ' HE2' ' A' ' 2' ' ' LYS . 7.9 mmpt? -109.19 114.99 29.17 Favored 'General case' 0 N--CA 1.5 2.03 0 N-CA-C 104.356 -2.461 . . . . 0.0 104.356 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.2 m . . . . . 0 N--CA 1.496 1.852 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 -179.659 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.539 0 CA-C-O 119.734 -0.481 . . . . 0.0 113.685 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.533 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 46.6 t -78.34 133.84 37.54 Favored 'General case' 0 N--CA 1.497 1.895 0 C-N-CA 119.825 -0.75 . . . . 0.0 109.853 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 78.9 p -51.3 128.84 23.41 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 124.307 1.004 . . . . 0.0 111.082 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 27.8 p -149.1 172.03 15.45 Favored 'General case' 0 N--CA 1.493 1.709 0 CA-C-N 114.534 -1.212 . . . . 0.0 109.853 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.0 m . . . . . 0 N--CA 1.494 1.725 0 N-CA-C 105.855 -1.906 . . . . 0.0 105.855 179.933 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.9 t . . . . . 0 N--CA 1.494 1.742 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.7 m -70.03 -38.88 75.98 Favored 'General case' 0 N--CA 1.503 2.185 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 59.79 3.51 0.47 Allowed 'General case' 0 N--CA 1.501 2.119 0 N-CA-C 115.81 1.781 . . . . 0.0 115.81 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -63.64 -27.65 69.38 Favored 'General case' 0 N--CA 1.502 2.174 0 C-N-CA 119.672 -0.811 . . . . 0.0 110.826 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 2' ' ' LYS . 76.8 m -65.4 110.35 2.62 Favored 'General case' 0 N--CA 1.49 1.533 0 CA-C-N 114.889 -1.05 . . . . 0.0 111.392 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 61.2 m -58.72 -42.96 89.9 Favored 'General case' 0 N--CA 1.502 2.132 0 N-CA-C 105.724 -1.954 . . . . 0.0 105.724 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 59.4 ttm-85 -80.99 -93.62 0.05 OUTLIER 'General case' 0 N--CA 1.487 1.396 0 CA-C-N 112.58 -2.1 . . . . 0.0 110.058 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.8 m -151.79 164.92 36.0 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 123.669 0.605 . . . . 0.0 110.487 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 50.8 t -98.66 103.39 15.33 Favored 'General case' 0 N--CA 1.494 1.731 0 CA-C-N 114.968 -1.015 . . . . 0.0 112.389 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 . . . . . 0 N--CA 1.495 1.801 0 CA-C-N 114.727 -1.124 . . . . 0.0 108.491 179.892 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 . . . . . 0 N--CA 1.501 2.091 0 CA-C-O 120.708 0.289 . . . . 0.0 111.6 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.6 t -153.24 -0.07 0.25 Allowed 'General case' 0 N--CA 1.495 1.813 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.955 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 96.1 mttt 62.58 37.98 12.68 Favored 'General case' 0 N--CA 1.501 2.077 0 CA-C-O 121.746 0.784 . . . . 0.0 110.853 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -139.66 -178.69 5.52 Favored 'General case' 0 N--CA 1.501 2.12 0 N-CA-C 106.411 -1.7 . . . . 0.0 106.411 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.533 ' SG ' ' HB3' ' A' ' 6' ' ' SER . 49.6 m -86.61 172.0 10.59 Favored 'General case' 0 N--CA 1.496 1.854 0 C-N-CA 119.526 -0.869 . . . . 0.0 109.789 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 . . . . . 0 N--CA 1.506 2.355 0 CA-C-O 121.73 0.776 . . . . 0.0 112.713 -179.992 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 24.4 p . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 121.702 0.763 . . . . 0.0 111.346 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.478 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 54.8 mttp -88.49 -167.51 1.9 Allowed 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 105.722 -1.955 . . . . 0.0 105.722 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.2 m . . . . . 0 N--CA 1.501 2.11 0 CA-C-O 118.333 -0.842 . . . . 0.0 111.28 179.646 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.836 0 N-CA-C 113.859 0.304 . . . . 0.0 113.859 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.672 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 59.0 m -78.38 146.05 34.84 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 77.4 p -57.01 90.75 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 116.196 1.925 . . . . 0.0 116.196 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.594 ' SG ' ' HB2' ' A' ' 12' ' ' SER . 43.8 t -150.69 139.94 21.27 Favored 'General case' 0 N--CA 1.499 1.996 0 CA-C-N 114.774 -1.103 . . . . 0.0 108.856 179.603 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.8 m . . . . . 0 N--CA 1.494 1.738 0 O-C-N 124.026 0.829 . . . . 0.0 111.883 179.864 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 76.0 p . . . . . 0 N--CA 1.487 1.38 0 N-CA-C 107.853 -1.166 . . . . 0.0 107.853 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.594 ' HB2' ' SG ' ' A' ' 8' ' ' CYS . 48.5 m -59.07 -18.6 36.6 Favored 'General case' 0 N--CA 1.505 2.321 0 C-N-CA 120.055 -0.658 . . . . 0.0 111.243 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 56.47 10.1 0.63 Allowed 'General case' 0 N--CA 1.5 2.061 0 N-CA-C 115.013 1.486 . . . . 0.0 115.013 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -63.63 -55.92 19.86 Favored 'General case' 0 N--CA 1.496 1.844 0 C-N-CA 119.694 -0.802 . . . . 0.0 110.093 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.672 ' SG ' ' HB2' ' A' ' 6' ' ' SER . 81.0 m -84.82 121.17 27.33 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 124.562 1.164 . . . . 0.0 113.618 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.7 m -68.3 -24.65 64.88 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 124.344 1.027 . . . . 0.0 111.771 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 64.9 ttt-85 -77.09 -85.82 0.06 Allowed 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 119.733 -0.787 . . . . 0.0 109.887 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 63.7 m -151.52 160.09 43.85 Favored 'General case' 0 N--CA 1.504 2.25 0 O-C-N 123.221 0.326 . . . . 0.0 111.193 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 87.2 m -118.92 103.7 9.84 Favored 'General case' 0 N--CA 1.501 2.12 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.404 ' HA ' ' CE2' ' A' ' 27' ' ' TYR . 22.3 t-20 . . . . . 0 N--CA 1.496 1.837 0 CA-C-N 113.582 -1.644 . . . . 0.0 111.268 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 . . . . . 0 N--CA 1.499 1.979 0 CA-C-O 120.722 0.296 . . . . 0.0 110.7 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 82.2 p -142.27 -2.57 1.11 Allowed 'General case' 0 N--CA 1.499 2.011 0 CA-C-N 115.197 -0.91 . . . . 0.0 108.736 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt 66.25 26.41 10.42 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 124.674 1.234 . . . . 0.0 110.876 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -117.73 -172.27 2.21 Favored 'General case' 0 N--CA 1.498 1.954 0 CA-C-N 113.952 -1.476 . . . . 0.0 107.555 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.588 ' SG ' ' HB3' ' A' ' 8' ' ' CYS . 84.5 m -105.32 170.44 7.88 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 179.49 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.404 ' CE2' ' HA ' ' A' ' 20' ' ' ASN . 96.5 m-85 . . . . . 0 N--CA 1.499 1.986 0 CA-C-O 121.828 0.823 . . . . 0.0 110.415 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.406 ' C ' ' HD2' ' A' ' 2' ' ' LYS . 28.7 p . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.438 0.637 . . . . 0.0 109.679 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.471 ' N ' ' HD2' ' A' ' 2' ' ' LYS . 9.6 mptt -128.92 -173.2 2.91 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 106.434 -1.691 . . . . 0.0 106.434 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.1 m . . . . . 0 N--CA 1.501 2.081 0 CA-C-O 118.961 -0.542 . . . . 0.0 111.712 179.92 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 3.034 0 N-CA-C 119.314 2.486 . . . . 0.0 119.314 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.693 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 32.2 t -81.42 122.36 27.4 Favored 'General case' 0 N--CA 1.505 2.325 0 CA-C-N 119.723 1.761 . . . . 0.0 109.468 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 74.2 p -50.72 98.33 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.776 0 O-C-N 125.036 1.46 . . . . 0.0 114.366 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.866 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 24.5 p -150.29 153.15 35.63 Favored 'General case' 0 N--CA 1.493 1.706 0 CA-C-N 114.253 -1.34 . . . . 0.0 110.183 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 73.3 m . . . . . 0 N--CA 1.493 1.698 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 -179.801 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.5 p . . . . . 0 N--CA 1.497 1.882 0 N-CA-C 114.367 1.247 . . . . 0.0 114.367 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.498 ' HB2' ' HB2' ' A' ' 8' ' ' CYS . 64.7 m -59.05 -47.14 86.33 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 123.668 0.605 . . . . 0.0 110.444 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 51.36 16.75 0.44 Allowed 'General case' 0 N--CA 1.504 2.249 0 N-CA-C 115.13 1.53 . . . . 0.0 115.13 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 35.7 p30 -74.16 1.85 10.31 Favored 'General case' 0 N--CA 1.5 2.049 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.866 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 38.5 m -115.7 126.87 54.66 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 123.881 0.738 . . . . 0.0 110.12 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 63.1 m -72.95 -23.92 60.74 Favored 'General case' 0 N--CA 1.501 2.092 0 C-N-CA 118.483 -1.287 . . . . 0.0 108.875 179.419 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 57.2 ttt-85 -81.25 -102.1 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 58.8 m -153.65 172.43 17.26 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 71.7 m -117.94 115.04 24.11 Favored 'General case' 0 N--CA 1.497 1.922 0 N-CA-C 114.852 1.427 . . . . 0.0 114.852 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 . . . . . 0 N--CA 1.489 1.508 0 CA-C-N 112.877 -1.965 . . . . 0.0 108.288 179.801 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 . . . . . 0 N--CA 1.5 2.031 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 77.4 p -109.0 -15.92 14.25 Favored 'General case' 0 N--CA 1.496 1.855 0 CA-C-N 114.281 -1.327 . . . . 0.0 110.299 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.51 ' HD2' ' N ' ' A' ' 24' ' ' LYS . 10.8 mptt 62.43 38.34 12.88 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 124.73 1.269 . . . . 0.0 108.895 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 48.5 mtm180 -141.86 173.46 11.49 Favored 'General case' 0 N--CA 1.501 2.088 0 CA-C-N 113.94 -1.482 . . . . 0.0 108.878 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.693 ' SG ' ' HB3' ' A' ' 6' ' ' SER . 47.5 m -65.89 156.39 33.55 Favored 'General case' 0 N--CA 1.506 2.371 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 179.736 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 . . . . . 0 N--CA 1.506 2.35 0 C-N-CA 118.388 -1.325 . . . . 0.0 109.854 179.596 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.4 p . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.458 ' HB3' ' CB ' ' A' ' 6' ' ' SER . 75.8 mmtt -133.92 97.83 3.99 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 123.636 0.585 . . . . 0.0 111.277 -179.769 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.1 m . . . . . 0 N--CA 1.497 1.92 0 N-CA-C 114.314 1.227 . . . . 0.0 114.314 -179.741 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.561 0 CA-C-O 120.166 -0.241 . . . . 0.0 113.142 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.596 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 50.1 m -71.42 -162.43 0.08 Allowed 'General case' 0 N--CA 1.493 1.689 0 CA-C-O 118.806 -0.616 . . . . 0.0 109.771 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 57.0 m -104.2 91.92 4.14 Favored 'General case' 0 N--CA 1.504 2.272 0 N-CA-C 114.782 1.401 . . . . 0.0 114.782 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.502 ' SG ' ' HB2' ' A' ' 12' ' ' SER . 51.5 t -151.98 126.24 9.29 Favored 'General case' 0 N--CA 1.499 1.984 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.793 179.663 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.0 m . . . . . 0 N--CA 1.493 1.701 0 O-C-N 123.981 0.801 . . . . 0.0 112.945 179.95 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 N--CA 1.485 1.294 0 N-CA-C 106.258 -1.756 . . . . 0.0 106.258 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.502 ' HB2' ' SG ' ' A' ' 8' ' ' CYS . 50.0 m -53.82 -14.3 0.93 Allowed 'General case' 0 N--CA 1.505 2.308 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 63.65 0.07 0.82 Allowed 'General case' 0 N--CA 1.501 2.116 0 N-CA-C 115.213 1.56 . . . . 0.0 115.213 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.5 p30 -64.77 -19.74 65.98 Favored 'General case' 0 N--CA 1.499 2.02 0 C-N-CA 119.439 -0.904 . . . . 0.0 110.2 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.719 ' SG ' ' SG ' ' A' ' 19' ' ' CYS . 67.8 m -74.4 159.61 32.1 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 123.935 0.772 . . . . 0.0 109.357 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 63.3 m -79.35 -44.28 21.85 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.2 mmt85 -96.67 -82.65 0.4 Allowed 'General case' 0 N--CA 1.492 1.644 0 CA-C-N 114.283 -1.326 . . . . 0.0 109.773 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 70.3 m -149.41 169.25 21.29 Favored 'General case' 0 N--CA 1.499 2.016 0 CA-C-O 121.488 0.661 . . . . 0.0 112.383 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.719 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 72.3 m -107.5 102.12 11.41 Favored 'General case' 0 N--CA 1.496 1.862 0 CA-C-N 113.513 -1.676 . . . . 0.0 112.72 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 . . . . . 0 N--CA 1.494 1.757 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 179.798 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 . . . . . 0 N--CA 1.499 2.015 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.8 t -105.57 -4.57 21.01 Favored 'General case' 0 N--CA 1.493 1.71 0 CA-C-N 114.092 -1.413 . . . . 0.0 108.264 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.5 ' HD2' ' N ' ' A' ' 24' ' ' LYS . 0.4 OUTLIER 65.26 29.39 11.71 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 124.79 1.306 . . . . 0.0 113.262 179.815 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 71.3 mtm180 -123.43 175.21 6.88 Favored 'General case' 0 N--CA 1.495 1.804 0 CA-C-N 113.789 -1.55 . . . . 0.0 108.186 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.596 ' SG ' ' HB2' ' A' ' 6' ' ' SER . 80.0 m -86.21 178.77 7.08 Favored 'General case' 0 N--CA 1.502 2.167 0 C-N-CA 119.258 -0.977 . . . . 0.0 109.255 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 . . . . . 0 N--CA 1.502 2.169 0 CA-C-O 121.612 0.72 . . . . 0.0 110.893 179.906 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.4 p . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.464 ' HB3' ' CB ' ' A' ' 6' ' ' SER . 47.7 mmtm -135.64 99.23 4.14 Favored 'General case' 0 N--CA 1.502 2.175 0 O-C-N 123.614 0.571 . . . . 0.0 111.277 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.5 m . . . . . 0 N--CA 1.496 1.87 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 -179.739 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.361 0 N-CA-C 115.477 0.951 . . . . 0.0 115.477 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.572 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 44.6 t -84.97 127.4 34.17 Favored 'General case' 0 N--CA 1.498 1.929 0 C-N-CA 119.035 -1.066 . . . . 0.0 109.685 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 68.9 m -34.93 84.72 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.155 0 N-CA-C 116.905 2.187 . . . . 0.0 116.905 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.589 ' SG ' ' HB2' ' A' ' 12' ' ' SER . 53.8 t -152.15 154.76 36.49 Favored 'General case' 0 N--CA 1.498 1.943 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.118 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.9 m . . . . . 0 N--CA 1.494 1.731 0 N-CA-C 115.632 1.716 . . . . 0.0 115.632 -179.92 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 86.1 m . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 106.516 -1.661 . . . . 0.0 106.516 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.589 ' HB2' ' SG ' ' A' ' 8' ' ' CYS . 53.1 m -62.65 -19.87 64.24 Favored 'General case' 0 N--CA 1.503 2.199 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 58.17 2.91 0.21 Allowed 'General case' 0 N--CA 1.505 2.301 0 N-CA-C 114.967 1.469 . . . . 0.0 114.967 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 28.3 p30 -62.74 -15.62 53.95 Favored 'General case' 0 N--CA 1.499 1.978 0 C-N-CA 120.234 -0.586 . . . . 0.0 111.648 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.712 ' SG ' ' SG ' ' A' ' 19' ' ' CYS . 64.6 m -84.08 159.26 21.18 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.192 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 61.6 m -81.22 -50.53 9.45 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 105.71 -1.959 . . . . 0.0 105.71 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.5 tpt180 -82.29 -85.31 0.11 Allowed 'General case' 0 N--CA 1.491 1.578 0 CA-C-N 114.03 -1.441 . . . . 0.0 107.967 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 71.1 m -155.51 170.53 21.74 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 123.994 0.808 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.712 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 85.9 m -104.84 100.27 9.9 Favored 'General case' 0 N--CA 1.496 1.844 0 CA-C-N 113.736 -1.575 . . . . 0.0 110.547 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 . . . . . 0 N--CA 1.494 1.775 0 CA-C-N 114.979 -1.009 . . . . 0.0 108.7 179.994 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 . . . . . 0 N--CA 1.499 2.019 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 66.8 p -93.08 -9.67 38.77 Favored 'General case' 0 N--CA 1.494 1.761 0 CA-C-N 114.083 -1.417 . . . . 0.0 108.897 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.24 30.59 19.98 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 105.87 -1.9 . . . . 0.0 105.87 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.498 ' HA ' ' H ' ' A' ' 8' ' ' CYS . 90.2 mtt-85 -139.65 172.79 12.28 Favored 'General case' 0 N--CA 1.496 1.871 0 CA-C-N 113.683 -1.599 . . . . 0.0 110.298 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.572 ' SG ' ' HB3' ' A' ' 6' ' ' SER . 64.5 m -80.75 -176.93 6.08 Favored 'General case' 0 N--CA 1.5 2.07 0 C-N-CA 119.986 -0.685 . . . . 0.0 111.538 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 . . . . . 0 N--CA 1.497 1.875 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.159 179.971 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.6 p . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -131.2 111.27 11.78 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 123.856 0.723 . . . . 0.0 110.592 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.8 m . . . . . 0 N--CA 1.495 1.781 0 CA-C-O 117.435 -1.269 . . . . 0.0 113.448 -179.88 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 3.049 0 N-CA-C 117.612 1.805 . . . . 0.0 117.612 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.608 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 47.7 t -66.5 113.15 4.5 Favored 'General case' 0 N--CA 1.498 1.973 0 C-N-CA 118.85 -1.14 . . . . 0.0 109.405 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 74.5 p -51.84 95.6 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.804 0 O-C-N 125.146 1.529 . . . . 0.0 113.439 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.823 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 31.6 p -150.76 164.36 36.38 Favored 'General case' 0 N--CA 1.491 1.606 0 CA-C-N 114.526 -1.215 . . . . 0.0 111.038 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.7 m . . . . . 0 N--CA 1.492 1.636 0 CA-C-N 114.275 -1.33 . . . . 0.0 109.364 179.922 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.6 t . . . . . 0 N--CA 1.498 1.938 0 CA-C-O 120.642 0.258 . . . . 0.0 111.624 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.1 m -58.29 -50.62 72.97 Favored 'General case' 0 N--CA 1.498 1.933 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.655 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 59.76 8.41 1.33 Allowed 'General case' 0 N--CA 1.502 2.137 0 O-C-N 124.709 1.255 . . . . 0.0 112.895 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 47.3 p30 -71.46 -4.17 25.11 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.823 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 61.5 m -87.06 156.95 19.53 Favored 'General case' 0 N--CA 1.493 1.679 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.63 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 60.5 m -76.72 -40.72 47.68 Favored 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 104.251 -2.5 . . . . 0.0 104.251 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 25.4 tpt180 -90.82 -93.8 0.13 Allowed 'General case' 0 N--CA 1.49 1.559 0 CA-C-N 113.244 -1.798 . . . . 0.0 106.772 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.9 m -157.07 179.25 9.47 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 123.767 0.667 . . . . 0.0 109.462 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.623 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 98.2 m -107.6 103.2 12.45 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 123.991 0.807 . . . . 0.0 111.703 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 . . . . . 0 N--CA 1.497 1.885 0 CA-C-N 114.81 -1.087 . . . . 0.0 110.398 179.958 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 . . . . . 0 N--CA 1.5 2.033 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.0 t -105.63 -10.79 16.62 Favored 'General case' 0 N--CA 1.492 1.656 0 CA-C-N 114.258 -1.337 . . . . 0.0 108.812 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 60.8 mttp 61.47 45.76 8.1 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 124.564 1.165 . . . . 0.0 110.098 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 90.9 mtt-85 -142.67 162.45 35.44 Favored 'General case' 0 N--CA 1.498 1.973 0 CA-C-N 113.248 -1.797 . . . . 0.0 107.319 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.608 ' SG ' ' HB3' ' A' ' 6' ' ' SER . 69.2 m -63.36 153.52 34.78 Favored 'General case' 0 N--CA 1.5 2.056 0 C-N-CA 119.568 -0.853 . . . . 0.0 111.533 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 . . . . . 0 N--CA 1.502 2.154 0 CA-C-O 122.126 0.965 . . . . 0.0 111.182 179.887 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 32.0 p . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -118.44 118.97 33.18 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 106.338 -1.727 . . . . 0.0 106.338 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.0 m . . . . . 0 N--CA 1.498 1.945 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 -179.75 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.705 0 CA-C-O 120.319 -0.156 . . . . 0.0 113.26 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.407 ' OG ' ' SG ' ' A' ' 26' ' ' CYS . 61.6 p -88.15 126.71 35.27 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-O 121.275 0.56 . . . . 0.0 110.271 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 52.7 m -43.24 128.65 4.73 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 115.368 1.618 . . . . 0.0 115.368 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 40.7 t -147.34 144.73 28.97 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-N 113.619 -1.628 . . . . 0.0 109.442 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.8 m . . . . . 0 N--CA 1.493 1.709 0 N-CA-C 107.667 -1.235 . . . . 0.0 107.667 -179.88 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.8 p . . . . . 0 N--CA 1.496 1.853 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 64.0 m -76.9 -35.1 57.62 Favored 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 55.96 13.36 1.11 Allowed 'General case' 0 N--CA 1.501 2.105 0 O-C-N 124.661 1.226 . . . . 0.0 113.609 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -76.36 -41.08 49.32 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.415 ' SG ' ' HA ' ' A' ' 19' ' ' CYS . 63.8 m -51.63 107.94 0.23 Allowed 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 63.3 m -66.19 -45.44 80.82 Favored 'General case' 0 N--CA 1.5 2.07 0 N-CA-C 105.546 -2.02 . . . . 0.0 105.546 179.54 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.1 tpp180 -83.34 -86.38 0.11 Allowed 'General case' 0 N--CA 1.491 1.598 0 CA-C-N 113.313 -1.767 . . . . 0.0 109.698 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 69.9 m -150.1 167.47 26.71 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 123.741 0.651 . . . . 0.0 111.117 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.415 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 51.8 t -97.21 109.88 22.54 Favored 'General case' 0 N--CA 1.497 1.903 0 CA-C-N 114.332 -1.303 . . . . 0.0 111.34 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.401 ' H ' ' HA ' ' A' ' 26' ' ' CYS . 40.6 t-20 . . . . . 0 N--CA 1.496 1.845 0 O-C-N 124.521 1.138 . . . . 0.0 108.002 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 . . . . . 0 N--CA 1.496 1.859 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.419 HG23 ' HE ' ' A' ' 25' ' ' ARG . 9.7 t -119.13 -2.76 10.68 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-N 114.146 -1.388 . . . . 0.0 110.451 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 60.0 mttp 75.13 19.05 2.36 Favored 'General case' 0 N--CA 1.506 2.329 0 N-CA-C 115.738 1.755 . . . . 0.0 115.738 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.419 ' HE ' HG23 ' A' ' 23' ' ' THR . 1.9 mpp_? -130.0 -168.22 1.93 Allowed 'General case' 0 N--CA 1.504 2.255 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 179.484 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.407 ' SG ' ' OG ' ' A' ' 6' ' ' SER . 63.0 m -95.44 168.15 10.88 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 . . . . . 0 N--CA 1.496 1.872 0 CA-C-O 121.877 0.846 . . . . 0.0 110.022 179.864 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 22.7 p . . . . . 0 N--CA 1.489 1.482 0 CA-C-O 121.352 0.596 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -89.12 -159.01 0.53 Allowed 'General case' 0 N--CA 1.5 2.071 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.6 m . . . . . 0 N--CA 1.502 2.161 0 CA-C-O 118.001 -0.999 . . . . 0.0 111.822 179.502 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.79 0 N-CA-C 112.92 -0.072 . . . . 0.0 112.92 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.465 ' OG ' ' SG ' ' A' ' 15' ' ' CYS . 53.8 p -81.76 127.82 33.36 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 51.1 m -50.38 133.65 24.15 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 114.363 1.246 . . . . 0.0 114.363 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 27.4 p -150.38 -172.63 4.23 Favored 'General case' 0 N--CA 1.496 1.839 0 CA-C-N 113.755 -1.566 . . . . 0.0 107.571 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.2 m . . . . . 0 N--CA 1.501 2.099 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 -179.906 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 86.9 m . . . . . 0 N--CA 1.494 1.773 0 N-CA-C 105.37 -2.085 . . . . 0.0 105.37 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.2 m -66.87 -3.77 7.73 Favored 'General case' 0 N--CA 1.497 1.919 0 CA-C-N 114.044 -1.434 . . . . 0.0 112.9 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 59.16 9.86 1.47 Allowed 'General case' 0 N--CA 1.503 2.219 0 O-C-N 123.947 0.779 . . . . 0.0 112.618 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.42 ' ND2' ' SG ' ' A' ' 15' ' ' CYS . 13.9 p-10 -60.42 -26.44 66.7 Favored 'General case' 0 N--CA 1.497 1.914 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.797 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.465 ' SG ' ' OG ' ' A' ' 6' ' ' SER . 77.1 m -107.01 175.91 5.35 Favored 'General case' 0 N--CA 1.489 1.496 0 CA-C-N 114.475 -1.239 . . . . 0.0 111.528 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.9 m -90.56 -46.94 7.99 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-N 113.221 -1.809 . . . . 0.0 107.886 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -75.09 -103.51 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 CA-C-N 114.115 -1.402 . . . . 0.0 111.517 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 68.5 m -152.61 176.23 11.95 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 123.686 0.616 . . . . 0.0 110.217 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.4 t -101.61 105.86 16.85 Favored 'General case' 0 N--CA 1.493 1.702 0 CA-C-N 114.778 -1.101 . . . . 0.0 113.734 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.4 ' H ' ' HA ' ' A' ' 26' ' ' CYS . 23.4 t-20 . . . . . 0 N--CA 1.493 1.678 0 N-CA-C 106.972 -1.492 . . . . 0.0 106.972 179.494 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 . . . . . 0 N--CA 1.495 1.785 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 76.7 p -114.89 -5.72 12.59 Favored 'General case' 0 N--CA 1.494 1.75 0 CA-C-N 114.143 -1.39 . . . . 0.0 109.734 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.538 ' HD2' ' N ' ' A' ' 24' ' ' LYS . 11.0 mptt 63.47 28.59 15.41 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 124.525 1.14 . . . . 0.0 110.571 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 62.0 mtm180 -129.86 175.93 8.45 Favored 'General case' 0 N--CA 1.5 2.045 0 N-CA-C 105.196 -2.15 . . . . 0.0 105.196 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.4 ' HA ' ' H ' ' A' ' 20' ' ' ASN . 72.6 m -91.96 170.18 10.06 Favored 'General case' 0 N--CA 1.499 2.003 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 . . . . . 0 N--CA 1.499 2.015 0 CA-C-O 122.258 1.028 . . . . 0.0 113.164 -179.725 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.4 p . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -142.93 104.8 4.37 Favored 'General case' 0 N--CA 1.504 2.25 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.0 m . . . . . 0 N--CA 1.496 1.834 0 CA-C-O 117.624 -1.179 . . . . 0.0 113.213 -179.988 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.763 0 N-CA-C 117.232 1.653 . . . . 0.0 117.232 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.623 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 44.4 t -76.25 135.06 39.66 Favored 'General case' 0 N--CA 1.5 2.069 0 C-N-CA 118.286 -1.365 . . . . 0.0 109.024 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 55.6 m -54.76 92.84 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.737 0 O-C-N 125.198 1.561 . . . . 0.0 115.184 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.639 ' SG ' ' HB2' ' A' ' 12' ' ' SER . 53.2 t -150.39 143.89 25.12 Favored 'General case' 0 N--CA 1.494 1.737 0 CA-C-N 114.896 -1.047 . . . . 0.0 108.737 179.533 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.3 m . . . . . 0 N--CA 1.492 1.667 0 O-C-N 124.117 0.886 . . . . 0.0 112.027 179.931 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 74.4 p . . . . . 0 N--CA 1.488 1.465 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.639 ' HB2' ' SG ' ' A' ' 8' ' ' CYS . 57.2 m -66.46 -26.71 67.33 Favored 'General case' 0 N--CA 1.504 2.235 0 C-N-CA 119.144 -1.022 . . . . 0.0 108.642 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 44.38 19.56 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.058 0 N-CA-C 117.939 2.57 . . . . 0.0 117.939 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 24.0 p30 -72.79 1.0 9.37 Favored 'General case' 0 N--CA 1.501 2.115 0 C-N-CA 118.928 -1.109 . . . . 0.0 110.797 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.598 ' SG ' ' SG ' ' A' ' 19' ' ' CYS . 57.7 m -89.38 156.39 18.72 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 123.843 0.715 . . . . 0.0 111.438 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 65.2 m -86.36 -49.61 7.52 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 105.711 -1.959 . . . . 0.0 105.711 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 57.2 ttt85 -81.96 -85.4 0.11 Allowed 'General case' 0 N--CA 1.49 1.561 0 CA-C-N 113.591 -1.64 . . . . 0.0 109.351 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.432 ' HB2' ' CD1' ' A' ' 27' ' ' TYR . 69.2 m -150.14 169.63 20.84 Favored 'General case' 0 N--CA 1.495 1.793 0 CA-C-O 121.656 0.741 . . . . 0.0 111.574 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.598 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 92.4 m -104.28 99.1 8.81 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-N 113.415 -1.72 . . . . 0.0 112.115 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 . . . . . 0 N--CA 1.495 1.795 0 CA-C-N 113.986 -1.461 . . . . 0.0 109.776 179.967 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 . . . . . 0 N--CA 1.499 2.0 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.443 ' O ' ' HB2' ' A' ' 24' ' ' LYS . 71.5 p -118.2 -12.61 9.96 Favored 'General case' 0 N--CA 1.499 1.995 0 CA-C-N 114.501 -1.227 . . . . 0.0 109.41 179.747 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.604 ' HE2' ' N ' ' A' ' 24' ' ' LYS . 0.1 OUTLIER 83.69 16.13 0.27 Allowed 'General case' 0 N--CA 1.501 2.087 0 C-N-CA 126.161 1.785 . . . . 0.0 111.274 -179.782 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.418 ' HD2' ' C ' ' A' ' 24' ' ' LYS . 4.7 mpt_? -119.19 -168.64 1.6 Allowed 'General case' 0 N--CA 1.502 2.143 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.678 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.623 ' SG ' ' HB3' ' A' ' 6' ' ' SER . 70.1 m -93.67 165.15 12.85 Favored 'General case' 0 N--CA 1.498 1.974 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 179.578 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.432 ' CD1' ' HB2' ' A' ' 18' ' ' SER . 46.3 m-85 . . . . . 0 N--CA 1.499 2.002 0 C-N-CA 119.577 -0.849 . . . . 0.0 110.146 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.1 p . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.908 0.861 . . . . 0.0 110.059 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.617 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 14.3 mmmm -104.29 179.38 4.29 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 104.304 -2.48 . . . . 0.0 104.304 179.433 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.9 m . . . . . 0 N--CA 1.502 2.125 0 CA-C-O 118.239 -0.886 . . . . 0.0 112.539 179.81 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.437 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.7 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 31.9 t -84.21 117.55 23.59 Favored 'General case' 0 N--CA 1.502 2.125 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 77.3 p -43.9 83.57 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.131 0 N-CA-C 116.957 2.206 . . . . 0.0 116.957 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.805 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 30.6 p -151.81 170.43 19.81 Favored 'General case' 0 N--CA 1.497 1.893 0 CA-C-N 115.326 -0.852 . . . . 0.0 112.156 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.3 m . . . . . 0 N--CA 1.493 1.692 0 CA-C-N 114.594 -1.185 . . . . 0.0 113.127 179.749 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 76.2 p . . . . . 0 N--CA 1.492 1.647 0 N-CA-C 110.394 -0.224 . . . . 0.0 110.394 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.6 m -59.98 -49.72 76.58 Favored 'General case' 0 N--CA 1.501 2.101 0 C-N-CA 119.925 -0.71 . . . . 0.0 110.256 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 55.59 15.9 1.69 Allowed 'General case' 0 N--CA 1.501 2.1 0 N-CA-C 114.551 1.315 . . . . 0.0 114.551 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.467 ' H ' HD22 ' A' ' 14' ' ' ASN . 3.3 p30 -64.33 -31.1 72.16 Favored 'General case' 0 N--CA 1.502 2.154 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.989 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.7 ' SG ' ' HB3' ' A' ' 6' ' ' SER . 79.1 m -93.44 142.69 27.04 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 123.859 0.724 . . . . 0.0 110.113 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 64.5 m -72.03 -15.78 62.04 Favored 'General case' 0 N--CA 1.496 1.828 0 C-N-CA 119.627 -0.829 . . . . 0.0 109.766 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.7 mmt85 -88.06 -108.98 0.07 Allowed 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 107.281 -1.378 . . . . 0.0 107.281 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.6 m -151.8 165.47 34.36 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 123.264 0.352 . . . . 0.0 110.248 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 97.7 m -104.88 102.23 11.78 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 124.382 1.051 . . . . 0.0 112.371 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 . . . . . 0 N--CA 1.497 1.886 0 CA-C-N 114.805 -1.089 . . . . 0.0 109.96 -179.975 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 . . . . . 0 N--CA 1.499 2.021 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 67.1 p -95.02 -9.87 32.56 Favored 'General case' 0 N--CA 1.494 1.735 0 CA-C-N 114.2 -1.364 . . . . 0.0 110.615 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.2 tttp 61.44 35.73 17.58 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 107.342 -1.355 . . . . 0.0 107.342 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 43.0 mtm105 -142.42 161.89 36.87 Favored 'General case' 0 N--CA 1.5 2.045 0 CA-C-N 113.991 -1.458 . . . . 0.0 108.453 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.805 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 80.7 m -72.82 169.28 17.11 Favored 'General case' 0 N--CA 1.496 1.838 0 C-N-CA 119.453 -0.899 . . . . 0.0 111.887 179.757 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 . . . . . 0 N--CA 1.498 1.929 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.409 179.984 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 30.1 p . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.514 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 65.9 mttm -150.79 -161.81 1.42 Allowed 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 103.885 -2.635 . . . . 0.0 103.885 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.2 m . . . . . 0 N--CA 1.504 2.242 0 N-CA-C 113.326 0.862 . . . . 0.0 113.326 179.622 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.732 0 N-CA-C 114.279 0.472 . . . . 0.0 114.279 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.565 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 39.0 t -81.31 139.71 35.23 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 77.4 p -45.36 84.09 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.1 0 N-CA-C 115.297 1.591 . . . . 0.0 115.297 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.609 ' SG ' ' HB2' ' A' ' 12' ' ' SER . 51.4 t -151.41 135.08 16.32 Favored 'General case' 0 N--CA 1.493 1.683 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.013 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.8 m . . . . . 0 N--CA 1.495 1.82 0 N-CA-C 113.291 0.848 . . . . 0.0 113.291 179.963 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.8 m . . . . . 0 N--CA 1.483 1.21 0 N-CA-C 104.81 -2.292 . . . . 0.0 104.81 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.609 ' HB2' ' SG ' ' A' ' 8' ' ' CYS . 51.0 m -60.33 0.05 0.21 Allowed 'General case' 0 N--CA 1.51 2.526 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 60.97 23.92 14.02 Favored 'General case' 0 N--CA 1.503 2.179 0 C-N-CA 123.474 0.71 . . . . 0.0 112.758 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -78.25 -57.68 3.65 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-N 115.21 -0.904 . . . . 0.0 111.534 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.565 ' SG ' ' HB3' ' A' ' 6' ' ' SER . 82.2 m -102.38 136.17 42.68 Favored 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 114.491 1.293 . . . . 0.0 114.491 -179.677 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.7 m -69.49 -22.57 63.61 Favored 'General case' 0 N--CA 1.499 2.009 0 CA-C-N 114.739 -1.118 . . . . 0.0 109.641 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.9 mmt180 -73.19 -96.77 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 107.3 -1.37 . . . . 0.0 107.3 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.7 m -155.65 156.88 35.76 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 95.2 m -107.75 103.03 12.21 Favored 'General case' 0 N--CA 1.491 1.604 0 CA-C-N 114.265 -1.334 . . . . 0.0 111.04 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 . . . . . 0 N--CA 1.491 1.585 0 CA-C-N 113.868 -1.515 . . . . 0.0 111.087 179.968 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 . . . . . 0 N--CA 1.5 2.029 0 CA-C-O 120.565 0.221 . . . . 0.0 111.428 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 68.7 p -140.7 -12.15 1.0 Allowed 'General case' 0 N--CA 1.5 2.027 0 O-C-N 123.969 0.793 . . . . 0.0 109.436 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt 67.07 27.3 8.71 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 124.795 1.309 . . . . 0.0 109.508 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.427 ' HA ' ' H ' ' A' ' 8' ' ' CYS . 81.7 mtt85 -129.81 178.33 6.6 Favored 'General case' 0 N--CA 1.496 1.87 0 CA-C-N 113.232 -1.804 . . . . 0.0 107.121 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 62.7 m -91.66 -176.35 4.45 Favored 'General case' 0 N--CA 1.496 1.838 0 CA-C-N 119.111 0.869 . . . . 0.0 110.743 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 . . . . . 0 N--CA 1.497 1.909 0 CA-C-O 121.758 0.79 . . . . 0.0 109.203 179.702 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.0 p . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.511 ' N ' ' HD2' ' A' ' 2' ' ' LYS . 1.9 mptp? -107.79 124.98 50.86 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 103.638 -2.727 . . . . 0.0 103.638 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.2 m . . . . . 0 N--CA 1.507 2.377 0 N-CA-C 116.159 1.911 . . . . 0.0 116.159 -179.656 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.818 0 N-CA-C 113.605 0.202 . . . . 0.0 113.605 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.64 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 44.7 m -81.82 114.02 20.16 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 53.6 m -45.32 90.26 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.065 0 N-CA-C 116.991 2.219 . . . . 0.0 116.991 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.908 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 28.4 p -151.45 171.1 18.07 Favored 'General case' 0 N--CA 1.495 1.79 0 CA-C-N 114.985 -1.007 . . . . 0.0 112.264 179.634 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.6 m . . . . . 0 N--CA 1.494 1.733 0 CA-C-N 114.066 -1.425 . . . . 0.0 107.357 179.857 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.43 ' HA ' ' CZ ' ' A' ' 13' ' ' TYR . 72.3 p . . . . . 0 N--CA 1.497 1.893 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.0 m -64.57 -43.46 93.83 Favored 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.43 ' CZ ' ' HA ' ' A' ' 11' ' ' THR . 21.3 m-85 56.86 12.4 1.16 Allowed 'General case' 0 N--CA 1.502 2.142 0 CA-C-N 114.284 -1.326 . . . . 0.0 112.162 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -67.8 -30.51 69.95 Favored 'General case' 0 N--CA 1.494 1.735 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.017 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.908 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 62.3 m -69.58 126.78 30.76 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 115.687 1.736 . . . . 0.0 115.687 -179.646 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 63.1 m -67.06 -29.55 69.36 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 103.576 -2.75 . . . . 0.0 103.576 179.155 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.0 mmt85 -99.68 -88.73 0.34 Allowed 'General case' 0 N--CA 1.489 1.481 0 CA-C-N 113.247 -1.797 . . . . 0.0 107.366 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.401 ' C ' ' SG ' ' A' ' 15' ' ' CYS . 70.5 m -162.24 159.07 25.24 Favored 'General case' 0 N--CA 1.509 2.49 0 O-C-N 123.552 0.532 . . . . 0.0 110.601 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.827 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 70.8 m -94.82 100.39 12.28 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 123.816 0.697 . . . . 0.0 110.172 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 . . . . . 0 N--CA 1.498 1.945 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.988 179.912 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 . . . . . 0 N--CA 1.5 2.031 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 74.3 p -120.19 -3.24 10.06 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 124.393 1.058 . . . . 0.0 110.778 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm 62.14 37.67 14.3 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 124.223 0.952 . . . . 0.0 109.217 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 86.7 mtm180 -138.27 158.19 44.79 Favored 'General case' 0 N--CA 1.499 2.002 0 CA-C-N 113.9 -1.5 . . . . 0.0 107.734 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.64 ' SG ' ' HB2' ' A' ' 6' ' ' SER . 61.6 m -67.25 167.36 12.42 Favored 'General case' 0 N--CA 1.502 2.138 0 C-N-CA 119.392 -0.923 . . . . 0.0 112.485 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 . . . . . 0 N--CA 1.498 1.934 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 179.688 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.1 p . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 121.758 0.789 . . . . 0.0 109.935 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.464 ' NZ ' ' HB3' ' A' ' 2' ' ' LYS . 5.5 mtpm? -115.36 -167.38 1.24 Allowed 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 103.054 -2.943 . . . . 0.0 103.054 179.65 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.5 m . . . . . 0 N--CA 1.504 2.239 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 179.849 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.883 0 N-CA-C 111.443 -0.663 . . . . 0.0 111.443 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.65 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 60.6 m -94.56 120.14 34.33 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-N 113.752 -1.224 . . . . 0.0 110.32 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 55.7 m -42.78 109.22 0.12 Allowed 'General case' 0 N--CA 1.498 1.925 0 O-C-N 124.66 1.225 . . . . 0.0 112.958 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.3 p -127.29 176.26 7.55 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-N 113.962 -1.472 . . . . 0.0 109.366 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.1 m . . . . . 0 N--CA 1.496 1.826 0 N-CA-C 106.441 -1.689 . . . . 0.0 106.441 -179.863 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 N--CA 1.493 1.717 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 63.4 m -56.43 -53.51 56.55 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 123.257 0.348 . . . . 0.0 110.592 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 51.29 19.21 0.72 Allowed 'General case' 0 N--CA 1.502 2.138 0 O-C-N 124.622 1.201 . . . . 0.0 113.175 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -62.82 -38.02 89.09 Favored 'General case' 0 N--CA 1.497 1.882 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.484 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.65 ' SG ' ' HB2' ' A' ' 6' ' ' SER . 62.3 m -92.25 149.38 21.49 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 124.709 1.255 . . . . 0.0 113.297 -179.779 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 64.7 m -84.49 -15.37 46.22 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 124.385 1.053 . . . . 0.0 109.558 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -79.26 -107.48 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 68.9 m -155.23 162.15 40.99 Favored 'General case' 0 N--CA 1.498 1.966 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 46.1 t -97.9 104.43 16.46 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 124.026 0.829 . . . . 0.0 112.639 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 . . . . . 0 N--CA 1.496 1.84 0 CA-C-N 114.871 -1.059 . . . . 0.0 108.203 179.723 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 . . . . . 0 N--CA 1.496 1.86 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 73.4 p -133.44 -6.42 2.93 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 124.074 0.859 . . . . 0.0 111.025 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.489 ' HD3' ' N ' ' A' ' 24' ' ' LYS . 2.7 mppt? 57.78 41.93 24.24 Favored 'General case' 0 N--CA 1.502 2.169 0 CA-C-O 122.801 1.286 . . . . 0.0 109.719 -179.712 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 -140.04 167.01 23.12 Favored 'General case' 0 N--CA 1.499 1.998 0 CA-C-N 112.333 -2.212 . . . . 0.0 106.055 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.474 ' SG ' ' HB2' ' A' ' 6' ' ' SER . 85.1 m -81.58 -178.95 7.17 Favored 'General case' 0 N--CA 1.498 1.935 0 C-N-CA 119.445 -0.902 . . . . 0.0 113.108 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.3 m-30 . . . . . 0 N--CA 1.497 1.903 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.874 -179.789 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.9 p . . . . . 0 N--CA 1.49 1.537 0 CA-C-O 121.707 0.765 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.62 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 75.5 mmtt -125.77 -168.3 1.82 Allowed 'General case' 0 N--CA 1.492 1.652 0 CA-C-N 113.525 -1.67 . . . . 0.0 106.873 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.5 m . . . . . 0 N--CA 1.503 2.191 0 CA-C-O 118.505 -0.76 . . . . 0.0 112.033 179.847 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.794 0 CA-C-O 121.115 0.286 . . . . 0.0 113.147 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.619 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 67.6 m -86.72 132.46 33.86 Favored 'General case' 0 C--N 1.303 -1.416 0 CA-C-N 114.651 -0.774 . . . . 0.0 110.552 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 53.5 m -50.3 121.85 6.15 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 124.258 0.974 . . . . 0.0 112.922 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 24.1 p -150.55 -172.7 4.25 Favored 'General case' 0 N--CA 1.497 1.918 0 CA-C-N 114.238 -1.346 . . . . 0.0 109.456 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.7 m . . . . . 0 N--CA 1.498 1.935 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 179.954 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.9 t . . . . . 0 N--CA 1.496 1.842 0 N-CA-C 111.56 0.208 . . . . 0.0 111.56 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.6 m -55.17 -54.21 46.14 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 123.8 0.688 . . . . 0.0 111.145 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 53.09 23.67 3.13 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 124.659 1.225 . . . . 0.0 110.685 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -63.05 -26.88 69.05 Favored 'General case' 0 N--CA 1.495 1.815 0 CA-C-N 114.681 -1.145 . . . . 0.0 111.055 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.62 ' SG ' ' HB2' ' A' ' 2' ' ' LYS . 76.2 m -108.62 133.61 52.5 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 124.609 1.193 . . . . 0.0 112.726 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 98.2 m -71.73 -20.79 61.85 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 124.241 0.963 . . . . 0.0 110.835 179.689 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.405 ' CD ' ' N ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -79.22 -97.94 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 106.307 -1.738 . . . . 0.0 106.307 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.405 ' N ' ' CD ' ' A' ' 17' ' ' ARG . 64.5 m -157.54 157.95 34.73 Favored 'General case' 0 N--CA 1.5 2.028 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 54.0 t -100.43 108.82 20.9 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 124.285 0.99 . . . . 0.0 112.737 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 . . . . . 0 N--CA 1.497 1.903 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 179.705 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 . . . . . 0 N--CA 1.498 1.93 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 73.8 p -131.37 -6.15 3.77 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 124.4 1.062 . . . . 0.0 110.171 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt 63.57 33.43 13.37 Favored 'General case' 0 N--CA 1.501 2.113 0 CA-C-O 122.318 1.056 . . . . 0.0 109.191 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 73.1 mtp180 -130.6 169.47 15.56 Favored 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 105.181 -2.155 . . . . 0.0 105.181 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 82.0 m -88.71 179.05 6.32 Favored 'General case' 0 N--CA 1.494 1.743 0 C-N-CA 119.249 -0.981 . . . . 0.0 112.913 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 . . . . . 0 N--CA 1.497 1.903 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.77 -179.647 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 25.7 p . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 122.105 0.955 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.581 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -96.08 -171.28 2.28 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-N 112.855 -1.975 . . . . 0.0 106.328 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.493 ' H ' ' CD ' ' A' ' 4' ' ' HYP . 69.2 m -160.67 -35.4 0.05 Allowed 'General case' 0 N--CA 1.5 2.061 0 CA-C-O 118.647 -0.692 . . . . 0.0 110.874 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HYP . . . . . 0.493 ' CD ' ' H ' ' A' ' 3' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 56.94 21.88 39.46 Favored Glycine 0 N--CA 1.496 2.673 0 O-C-N 124.841 1.338 . . . . 0.0 114.351 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.629 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 48.5 t -95.59 130.77 42.34 Favored 'General case' 0 N--CA 1.498 1.959 0 C-N-CA 120.407 -0.517 . . . . 0.0 109.893 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 78.4 p -44.19 133.46 5.3 Favored 'General case' 0 N--CA 1.5 2.055 0 N-CA-C 114.679 1.363 . . . . 0.0 114.679 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.6 p -150.62 139.11 20.5 Favored 'General case' 0 N--CA 1.497 1.895 0 CA-C-N 114.397 -1.274 . . . . 0.0 107.819 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.461 ' CB ' HD23 ' A' ' 10' ' ' HYP . 67.0 m -96.72 -55.99 2.72 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 123.825 0.703 . . . . 0.0 112.845 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HYP . . . . . 0.461 HD23 ' CB ' ' A' ' 9' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 75.4 p -120.81 48.93 1.53 Allowed 'General case' 0 N--CA 1.494 1.76 0 O-C-N 125.348 1.655 . . . . 0.0 107.34 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.3 m -63.66 -9.13 12.34 Favored 'General case' 0 N--CA 1.497 1.883 0 CA-C-N 113.696 -1.593 . . . . 0.0 111.674 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 58.97 15.82 4.22 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 124.355 1.034 . . . . 0.0 111.743 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -65.21 -24.11 67.26 Favored 'General case' 0 N--CA 1.493 1.688 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.186 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.629 ' SG ' ' HB3' ' A' ' 6' ' ' SER . 60.7 m -132.61 146.13 51.65 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 124.686 1.241 . . . . 0.0 112.438 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.0 m -85.14 -6.15 59.31 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 124.442 1.089 . . . . 0.0 108.455 179.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.1 tpp180 -84.91 -109.31 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 71.2 m -153.42 163.61 39.63 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 50.1 t -97.17 106.35 18.67 Favored 'General case' 0 N--CA 1.497 1.921 0 N-CA-C 114.639 1.348 . . . . 0.0 114.639 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -71.28 106.94 4.02 Favored 'General case' 0 N--CA 1.495 1.82 0 CA-C-N 114.368 -1.287 . . . . 0.0 108.572 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -78.98 -40.67 31.04 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 124.503 1.127 . . . . 0.0 109.088 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 76.8 p -97.02 -13.26 22.4 Favored 'General case' 0 N--CA 1.495 1.803 0 CA-C-N 114.377 -1.283 . . . . 0.0 110.711 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.9 tttm 65.43 31.38 10.35 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 106.225 -1.769 . . . . 0.0 106.225 -179.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -132.56 -176.67 4.17 Favored 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 105.341 -2.096 . . . . 0.0 105.341 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 61.9 m -88.44 170.68 10.7 Favored 'General case' 0 N--CA 1.493 1.713 0 C-N-CA 119.843 -0.743 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -76.86 -76.18 0.18 Allowed 'General case' 0 N--CA 1.501 2.1 0 CA-C-O 121.677 0.751 . . . . 0.0 110.463 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.315 0 O-C-N 119.225 -2.172 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.2 p . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.445 ' H ' ' HA ' ' A' ' 15' ' ' CYS . 66.3 mttm -120.3 110.47 16.59 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 123.844 0.715 . . . . 0.0 109.677 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.497 ' HB2' HD23 ' A' ' 4' ' ' HYP . 51.0 m -68.48 -48.65 63.91 Favored 'General case' 0 N--CA 1.5 2.037 0 C-N-CA 119.384 -0.927 . . . . 0.0 112.318 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' HYP . . . . . 0.497 HD23 ' HB2' ' A' ' 3' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 63.53 3.75 8.06 Favored Glycine 0 N--CA 1.497 2.73 0 O-C-N 124.212 0.945 . . . . 0.0 113.244 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.569 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 40.6 t -64.42 102.43 0.54 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 124.012 0.477 . . . . 0.0 110.271 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 57.1 m -54.72 88.29 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.944 0 O-C-N 124.776 1.297 . . . . 0.0 112.844 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.802 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 26.7 p -150.9 172.95 14.86 Favored 'General case' 0 N--CA 1.491 1.614 0 CA-C-N 113.996 -1.456 . . . . 0.0 111.518 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.413 ' HB2' HD23 ' A' ' 10' ' ' HYP . 67.6 m -142.77 -143.22 0.14 Allowed 'General case' 0 N--CA 1.489 1.514 0 CA-C-N 113.763 -1.562 . . . . 0.0 107.771 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' HYP . . . . . 0.413 HD23 ' HB2' ' A' ' 9' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.5 p -90.65 32.31 0.98 Allowed 'General case' 0 N--CA 1.496 1.845 0 O-C-N 124.701 1.251 . . . . 0.0 113.069 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 53.0 m -68.89 -49.39 58.65 Favored 'General case' 0 N--CA 1.499 1.984 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 59.49 2.29 0.32 Allowed 'General case' 0 N--CA 1.504 2.254 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 48.5 p30 -69.82 -10.14 57.32 Favored 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.569 ' SG ' ' HB3' ' A' ' 6' ' ' SER . 90.8 m -93.77 162.69 13.82 Favored 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 42.5 m -81.94 -42.3 19.64 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 106.312 -1.736 . . . . 0.0 106.312 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -89.64 -108.09 0.08 Allowed 'General case' 0 N--CA 1.492 1.63 0 CA-C-N 113.89 -1.505 . . . . 0.0 110.027 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 70.3 m -155.49 146.97 22.89 Favored 'General case' 0 N--CA 1.503 2.213 0 O-C-N 123.41 0.444 . . . . 0.0 109.901 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.559 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 62.5 m -77.99 110.7 13.15 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 123.923 0.765 . . . . 0.0 110.661 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -72.03 125.33 26.98 Favored 'General case' 0 N--CA 1.495 1.804 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.679 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -110.21 -23.01 11.48 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 124.764 1.29 . . . . 0.0 107.724 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 74.6 p -117.84 -8.45 10.81 Favored 'General case' 0 N--CA 1.494 1.735 0 CA-C-N 114.302 -1.317 . . . . 0.0 110.906 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.579 ' HE2' ' N ' ' A' ' 24' ' ' LYS . 0.1 OUTLIER 60.1 32.31 20.92 Favored 'General case' 0 N--CA 1.503 2.184 0 N-CA-C 106.533 -1.654 . . . . 0.0 106.533 -179.72 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 89.7 mtm-85 -145.11 145.93 31.61 Favored 'General case' 0 N--CA 1.5 2.032 0 CA-C-N 114.089 -1.414 . . . . 0.0 109.722 -179.663 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.802 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 95.2 m -72.36 164.8 25.73 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 115.076 1.509 . . . . 0.0 115.076 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -66.05 -70.07 0.26 Allowed 'General case' 0 N--CA 1.487 1.412 0 CA-C-N 113.191 -1.822 . . . . 0.0 112.948 -179.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.337 0 O-C-N 119.262 -2.149 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.7 p . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 122.216 1.007 . . . . 0.0 110.802 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -111.03 -167.46 1.18 Allowed 'General case' 0 N--CA 1.49 1.527 0 CA-C-N 112.632 -2.076 . . . . 0.0 106.381 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.529 ' H ' ' CD ' ' A' ' 4' ' ' HYP . 68.2 m -151.21 -35.23 0.14 Allowed 'General case' 0 N--CA 1.496 1.873 0 CA-C-O 118.338 -0.839 . . . . 0.0 112.443 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' HYP . . . . . 0.529 ' CD ' ' H ' ' A' ' 3' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 67.65 8.83 53.92 Favored Glycine 0 N--CA 1.494 2.566 0 O-C-N 124.72 1.262 . . . . 0.0 114.716 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.625 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 46.6 t -77.14 135.46 38.55 Favored 'General case' 0 N--CA 1.495 1.809 0 C-N-CA 119.241 -0.983 . . . . 0.0 108.434 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 77.7 p -52.23 109.88 0.43 Allowed 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 115.963 1.838 . . . . 0.0 115.963 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.461 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 38.7 t -140.15 127.17 20.84 Favored 'General case' 0 N--CA 1.497 1.9 0 CA-C-N 114.765 -1.107 . . . . 0.0 108.488 179.602 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.459 ' CB ' HD23 ' A' ' 10' ' ' HYP . 62.7 m -89.19 -59.64 2.17 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 123.952 0.782 . . . . 0.0 111.11 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' HYP . . . . . 0.459 HD23 ' CB ' ' A' ' 9' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 68.9 p -93.19 35.42 1.08 Allowed 'General case' 0 N--CA 1.497 1.912 0 O-C-N 124.883 1.364 . . . . 0.0 112.131 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 56.0 m -70.42 -17.11 63.01 Favored 'General case' 0 N--CA 1.499 1.989 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.566 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 62.77 -6.93 0.15 Allowed 'General case' 0 N--CA 1.501 2.115 0 N-CA-C 116.507 2.04 . . . . 0.0 116.507 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -72.54 -1.82 17.4 Favored 'General case' 0 N--CA 1.502 2.132 0 C-N-CA 119.74 -0.784 . . . . 0.0 111.634 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.59 ' SG ' ' SG ' ' A' ' 19' ' ' CYS . 64.9 m -108.17 81.46 1.49 Allowed 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 120.049 -0.66 . . . . 0.0 110.554 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.0 m -65.82 -5.71 9.79 Favored 'General case' 0 N--CA 1.499 1.984 0 C-N-CA 117.956 -1.498 . . . . 0.0 110.77 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.27 -83.17 0.43 Allowed 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 102.686 -3.079 . . . . 0.0 102.686 179.603 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 67.9 m -160.76 150.51 17.43 Favored 'General case' 0 N--CA 1.504 2.251 0 O-C-N 123.717 0.636 . . . . 0.0 110.03 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.59 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 95.8 m -97.64 109.58 22.31 Favored 'General case' 0 N--CA 1.502 2.144 0 N-CA-C 114.687 1.366 . . . . 0.0 114.687 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.428 ' HA ' ' CZ ' ' A' ' 27' ' ' TYR . 23.1 t-20 -72.72 97.74 2.25 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-N 114.234 -1.348 . . . . 0.0 108.781 179.666 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -79.75 -38.61 32.88 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 124.633 1.208 . . . . 0.0 108.938 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 70.5 p -113.14 -3.67 13.91 Favored 'General case' 0 N--CA 1.496 1.859 0 CA-C-N 114.423 -1.262 . . . . 0.0 109.533 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.534 ' HD2' ' N ' ' A' ' 24' ' ' LYS . 11.1 mptt 62.38 45.48 6.54 Favored 'General case' 0 N--CA 1.495 1.82 0 CA-C-O 122.945 1.355 . . . . 0.0 109.594 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.0 mtp-105 -136.62 -171.52 2.93 Favored 'General case' 0 N--CA 1.496 1.826 0 CA-C-N 111.919 -2.4 . . . . 0.0 105.841 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.625 ' SG ' ' HB3' ' A' ' 6' ' ' SER . 58.6 m -101.58 171.24 7.68 Favored 'General case' 0 N--CA 1.506 2.359 0 C-N-CA 120.083 -0.647 . . . . 0.0 110.709 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.428 ' CZ ' ' HA ' ' A' ' 20' ' ' ASN . 84.7 m-85 -90.94 129.05 37.0 Favored 'General case' 0 N--CA 1.499 1.989 0 CA-C-O 121.721 0.772 . . . . 0.0 108.958 179.585 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.473 0 O-C-N 119.115 -2.241 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.1 p . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.408 ' H ' ' HA ' ' A' ' 15' ' ' CYS . 47.1 mmtm -114.7 112.93 23.62 Favored 'General case' 0 N--CA 1.501 2.104 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.509 ' HB2' HD23 ' A' ' 4' ' ' HYP . 67.2 m -61.54 -61.9 2.2 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 -179.729 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' HYP . . . . . 0.509 HD23 ' HB2' ' A' ' 3' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 63.1 6.01 11.87 Favored Glycine 0 N--CA 1.495 2.584 0 O-C-N 124.616 1.197 . . . . 0.0 112.487 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.417 ' OG ' ' SG ' ' A' ' 15' ' ' CYS . 58.3 p -75.34 140.67 43.21 Favored 'General case' 0 N--CA 1.485 1.318 0 CA-C-O 121.346 0.593 . . . . 0.0 110.413 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 81.6 p -48.91 116.54 1.69 Allowed 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 117.415 2.376 . . . . 0.0 117.415 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.41 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 42.2 t -150.78 131.51 14.05 Favored 'General case' 0 N--CA 1.496 1.83 0 CA-C-N 114.44 -1.254 . . . . 0.0 109.039 179.374 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.1 m -89.03 -74.0 0.49 Allowed 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' HYP . . . . . 0.466 ' HA ' ' SG ' ' A' ' 19' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 75.7 p -79.84 28.32 0.28 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 124.805 1.316 . . . . 0.0 114.005 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 55.0 m -70.88 -44.18 66.87 Favored 'General case' 0 N--CA 1.5 2.042 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 55.93 13.05 1.01 Allowed 'General case' 0 N--CA 1.501 2.09 0 O-C-N 124.752 1.283 . . . . 0.0 113.239 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 49.9 p30 -85.13 26.41 0.88 Allowed 'General case' 0 N--CA 1.495 1.805 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.241 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.417 ' SG ' ' OG ' ' A' ' 6' ' ' SER . 92.3 m -129.74 158.42 39.46 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-N 115.052 -0.976 . . . . 0.0 112.818 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 37.5 m -84.77 -50.15 7.84 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-N 114.134 -1.394 . . . . 0.0 111.337 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.1 mmt85 -73.02 -100.95 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.85 0 CA-C-N 114.578 -1.192 . . . . 0.0 112.267 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.444 ' HB2' ' CD1' ' A' ' 27' ' ' TYR . 65.0 m -143.63 -178.08 5.72 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.466 ' SG ' ' HA ' ' A' ' 10' ' ' HYP . 49.4 t -112.55 106.7 15.21 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 123.847 0.717 . . . . 0.0 111.368 -179.719 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.501 ' H ' ' HA ' ' A' ' 26' ' ' CYS . 20.9 t-20 -82.57 96.98 8.24 Favored 'General case' 0 N--CA 1.493 1.699 0 CA-C-N 114.876 -1.057 . . . . 0.0 108.509 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -79.18 -31.49 43.89 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 124.443 1.089 . . . . 0.0 109.339 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.0 t -117.86 2.0 12.15 Favored 'General case' 0 N--CA 1.496 1.835 0 CA-C-N 114.585 -1.189 . . . . 0.0 109.268 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt 63.33 38.33 10.3 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 124.246 0.966 . . . . 0.0 111.396 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 -135.22 -164.9 1.6 Allowed 'General case' 0 N--CA 1.5 2.054 0 N-CA-C 106.189 -1.782 . . . . 0.0 106.189 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.501 ' HA ' ' H ' ' A' ' 20' ' ' ASN . 93.2 m -115.17 175.18 5.62 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 123.868 0.73 . . . . 0.0 112.212 179.482 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.444 ' CD1' ' HB2' ' A' ' 18' ' ' SER . 52.0 m-85 -83.21 -63.25 1.4 Allowed 'General case' 0 N--CA 1.498 1.935 0 CA-C-O 121.69 0.757 . . . . 0.0 113.03 -179.643 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.349 0 O-C-N 119.233 -2.167 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 30.0 p . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.488 ' N ' ' HD2' ' A' ' 2' ' ' LYS . 2.3 mptp? -132.12 113.37 13.24 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 105.188 -2.153 . . . . 0.0 105.188 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.428 ' HB2' HD23 ' A' ' 4' ' ' HYP . 57.8 m -64.75 -54.65 28.08 Favored 'General case' 0 N--CA 1.5 2.06 0 N-CA-C 115.438 1.644 . . . . 0.0 115.438 -179.593 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' HYP . . . . . 0.428 HD23 ' HB2' ' A' ' 3' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 65.13 8.41 36.07 Favored Glycine 0 N--CA 1.496 2.649 0 O-C-N 124.549 1.156 . . . . 0.0 114.077 179.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.539 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 46.9 t -71.6 146.14 48.56 Favored 'General case' 0 N--CA 1.495 1.812 0 C-N-CA 119.962 -0.695 . . . . 0.0 109.231 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 59.5 m -66.35 131.28 45.74 Favored 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.4 t -136.74 171.33 14.66 Favored 'General case' 0 N--CA 1.495 1.81 0 CA-C-N 113.42 -1.718 . . . . 0.0 108.246 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.493 ' CB ' ' CD ' ' A' ' 10' ' ' HYP . 65.4 m -138.02 -83.57 0.31 Allowed 'General case' 0 N--CA 1.495 1.81 0 CA-C-O 118.417 -0.801 . . . . 0.0 109.158 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' HYP . . . . . 0.493 ' CD ' ' CB ' ' A' ' 9' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 90.5 m 53.35 60.58 3.63 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 124.906 1.379 . . . . 0.0 109.518 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.4 m -71.16 6.69 1.53 Allowed 'General case' 0 N--CA 1.499 2.004 0 CA-C-N 114.207 -1.36 . . . . 0.0 111.582 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 65.41 5.8 3.36 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 124.201 0.938 . . . . 0.0 111.37 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 26.4 m-20 -83.11 -22.12 33.48 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.06 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.645 ' SG ' ' SG ' ' A' ' 19' ' ' CYS . 66.6 m -90.39 119.42 30.66 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 124.072 0.858 . . . . 0.0 113.196 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 77.9 m -73.45 -43.51 60.14 Favored 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 106.235 -1.765 . . . . 0.0 106.235 179.581 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.404 ' HA ' ' NE ' ' A' ' 17' ' ' ARG . 3.9 mmp_? -83.49 -83.47 0.14 Allowed 'General case' 0 N--CA 1.489 1.505 0 CA-C-N 113.686 -1.597 . . . . 0.0 108.437 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 67.9 m -156.83 170.33 22.73 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 123.748 0.655 . . . . 0.0 110.968 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.645 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 85.4 m -98.79 109.45 22.21 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 115.146 1.536 . . . . 0.0 115.146 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.427 ' HA ' ' CZ ' ' A' ' 27' ' ' TYR . 20.5 t-20 -72.9 102.28 3.39 Favored 'General case' 0 N--CA 1.492 1.654 0 CA-C-N 113.957 -1.474 . . . . 0.0 108.255 179.537 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -79.14 -15.44 58.12 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 124.497 1.123 . . . . 0.0 109.216 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 79.4 p -142.87 11.08 1.81 Allowed 'General case' 0 N--CA 1.497 1.883 0 CA-C-N 114.961 -1.018 . . . . 0.0 109.355 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.5 ptmm? 50.41 30.48 4.62 Favored 'General case' 0 N--CA 1.502 2.162 0 C-N-CA 124.542 1.137 . . . . 0.0 112.948 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.4 mmt85 -117.47 -164.39 0.99 Allowed 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 106.01 -1.848 . . . . 0.0 106.01 179.434 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.539 ' SG ' ' HB3' ' A' ' 6' ' ' SER . 66.6 m -109.3 172.66 6.72 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 123.885 0.74 . . . . 0.0 109.276 179.587 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.427 ' CZ ' ' HA ' ' A' ' 20' ' ' ASN . 96.5 m-85 -91.83 -62.24 1.46 Allowed 'General case' 0 N--CA 1.497 1.877 0 CA-C-O 121.865 0.841 . . . . 0.0 109.562 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.298 0 O-C-N 119.362 -2.086 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.8 p . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 15' ' ' CYS . 55.8 mtpt -124.45 114.55 19.62 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 105.571 -2.011 . . . . 0.0 105.571 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.459 ' HB2' HD23 ' A' ' 4' ' ' HYP . 69.5 m -65.92 -43.73 87.26 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 116.856 2.169 . . . . 0.0 116.856 -179.506 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' HYP . . . . . 0.459 HD23 ' HB2' ' A' ' 3' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 73.8 3.61 64.12 Favored Glycine 0 N--CA 1.493 2.486 0 O-C-N 124.301 1.001 . . . . 0.0 114.497 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.633 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 38.5 t -74.4 124.28 26.22 Favored 'General case' 0 N--CA 1.497 1.903 0 C-N-CA 118.913 -1.115 . . . . 0.0 108.455 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 58.8 m -47.7 93.44 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.926 0 O-C-N 124.843 1.339 . . . . 0.0 114.386 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.659 ' SG ' ' HB2' ' A' ' 12' ' ' SER . 41.8 t -150.62 149.94 30.52 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-N 114.943 -1.026 . . . . 0.0 112.885 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.501 ' CB ' HD23 ' A' ' 10' ' ' HYP . 67.0 m -150.15 -131.0 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 CA-C-N 112.738 -2.028 . . . . 0.0 106.37 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' HYP . . . . . 0.501 HD23 ' CB ' ' A' ' 9' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 71.0 p -127.74 -13.4 5.3 Favored 'General case' 0 N--CA 1.503 2.196 0 N-CA-C 114.928 1.455 . . . . 0.0 114.928 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.659 ' HB2' ' SG ' ' A' ' 8' ' ' CYS . 66.9 m -60.1 -42.51 94.83 Favored 'General case' 0 N--CA 1.501 2.085 0 C-N-CA 119.977 -0.689 . . . . 0.0 110.834 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.43 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 25.0 m-85 48.27 14.82 0.06 Allowed 'General case' 0 N--CA 1.502 2.148 0 N-CA-C 116.407 2.002 . . . . 0.0 116.407 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 26.2 p30 -68.61 -9.79 51.98 Favored 'General case' 0 N--CA 1.503 2.179 0 C-N-CA 119.13 -1.028 . . . . 0.0 112.244 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.769 ' SG ' ' SG ' ' A' ' 19' ' ' CYS . 63.2 m -72.74 132.58 43.82 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 65.7 m -70.89 -45.99 63.37 Favored 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 105.743 -1.947 . . . . 0.0 105.743 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -86.87 -80.67 0.24 Allowed 'General case' 0 N--CA 1.496 1.841 0 CA-C-N 114.4 -1.273 . . . . 0.0 110.277 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 70.2 m -151.83 161.54 42.49 Favored 'General case' 0 N--CA 1.501 2.103 0 CA-C-O 121.548 0.689 . . . . 0.0 112.83 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.769 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 81.4 m -104.41 103.28 12.97 Favored 'General case' 0 N--CA 1.497 1.922 0 CA-C-N 113.536 -1.665 . . . . 0.0 112.41 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -77.63 111.04 12.97 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -78.96 -59.5 2.75 Favored 'General case' 0 N--CA 1.499 2.024 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.9 t -78.38 -6.4 55.08 Favored 'General case' 0 N--CA 1.493 1.706 0 CA-C-N 114.84 -1.073 . . . . 0.0 108.869 179.627 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 58.8 tttm 60.34 31.3 20.36 Favored 'General case' 0 N--CA 1.493 1.704 0 CA-C-O 122.094 0.95 . . . . 0.0 109.463 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.405 ' HA ' ' H ' ' A' ' 8' ' ' CYS . 84.9 mtt85 -137.45 175.96 9.13 Favored 'General case' 0 N--CA 1.498 1.95 0 CA-C-N 114.417 -1.265 . . . . 0.0 108.643 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.633 ' SG ' ' HB3' ' A' ' 6' ' ' SER . 59.6 m -79.74 163.28 24.61 Favored 'General case' 0 N--CA 1.497 1.915 0 C-N-CA 119.805 -0.758 . . . . 0.0 110.859 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -74.57 -42.43 58.78 Favored 'General case' 0 N--CA 1.498 1.951 0 CA-C-O 121.844 0.83 . . . . 0.0 109.538 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.349 0 O-C-N 119.437 -2.039 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.4 p . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.586 ' HA ' ' HE2' ' A' ' 2' ' ' LYS . 7.9 mmpt? -109.19 114.99 29.17 Favored 'General case' 0 N--CA 1.5 2.03 0 N-CA-C 104.356 -2.461 . . . . 0.0 104.356 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.41 ' HB2' HD23 ' A' ' 4' ' ' HYP . 48.2 m -68.03 -58.39 4.58 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 -179.659 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' HYP . . . . . 0.41 HD23 ' HB2' ' A' ' 3' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 64.19 14.38 56.35 Favored Glycine 0 N--CA 1.494 2.539 0 O-C-N 124.307 1.005 . . . . 0.0 113.685 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.533 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 46.6 t -78.34 133.84 37.54 Favored 'General case' 0 N--CA 1.497 1.895 0 C-N-CA 119.825 -0.75 . . . . 0.0 109.853 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 78.9 p -51.3 128.84 23.41 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 124.307 1.004 . . . . 0.0 111.082 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 27.8 p -149.1 172.03 15.45 Favored 'General case' 0 N--CA 1.493 1.709 0 CA-C-N 114.534 -1.212 . . . . 0.0 109.853 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.421 ' CB ' ' CD ' ' A' ' 10' ' ' HYP . 49.0 m -117.7 -100.97 0.43 Allowed 'General case' 0 N--CA 1.494 1.725 0 N-CA-C 105.855 -1.906 . . . . 0.0 105.855 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' HYP . . . . . 0.421 ' CD ' ' CB ' ' A' ' 9' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.9 t -83.93 14.01 4.44 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 124.886 1.366 . . . . 0.0 112.36 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.7 m -70.03 -38.88 75.98 Favored 'General case' 0 N--CA 1.503 2.185 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 59.79 3.51 0.47 Allowed 'General case' 0 N--CA 1.501 2.119 0 N-CA-C 115.81 1.781 . . . . 0.0 115.81 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -63.64 -27.65 69.38 Favored 'General case' 0 N--CA 1.502 2.174 0 C-N-CA 119.672 -0.811 . . . . 0.0 110.826 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 2' ' ' LYS . 76.8 m -65.4 110.35 2.62 Favored 'General case' 0 N--CA 1.49 1.533 0 CA-C-N 114.889 -1.05 . . . . 0.0 111.392 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 61.2 m -58.72 -42.96 89.9 Favored 'General case' 0 N--CA 1.502 2.132 0 N-CA-C 105.724 -1.954 . . . . 0.0 105.724 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 59.4 ttm-85 -80.99 -93.62 0.05 OUTLIER 'General case' 0 N--CA 1.487 1.396 0 CA-C-N 112.58 -2.1 . . . . 0.0 110.058 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.8 m -151.79 164.92 36.0 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 123.669 0.605 . . . . 0.0 110.487 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 50.8 t -98.66 103.39 15.33 Favored 'General case' 0 N--CA 1.494 1.731 0 CA-C-N 114.968 -1.015 . . . . 0.0 112.389 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -71.42 102.46 2.65 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-N 114.727 -1.124 . . . . 0.0 108.491 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -79.43 1.38 25.68 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 124.406 1.066 . . . . 0.0 111.6 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.6 t -153.24 -0.07 0.25 Allowed 'General case' 0 N--CA 1.495 1.813 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.955 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 96.1 mttt 62.58 37.98 12.68 Favored 'General case' 0 N--CA 1.501 2.077 0 CA-C-O 121.746 0.784 . . . . 0.0 110.853 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -139.66 -178.69 5.52 Favored 'General case' 0 N--CA 1.501 2.12 0 N-CA-C 106.411 -1.7 . . . . 0.0 106.411 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.533 ' SG ' ' HB3' ' A' ' 6' ' ' SER . 49.6 m -86.61 172.0 10.59 Favored 'General case' 0 N--CA 1.496 1.854 0 C-N-CA 119.526 -0.869 . . . . 0.0 109.789 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -71.75 -0.29 10.68 Favored 'General case' 0 N--CA 1.506 2.355 0 CA-C-O 121.73 0.776 . . . . 0.0 112.713 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.478 0 O-C-N 118.912 -2.368 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 24.4 p . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 121.702 0.763 . . . . 0.0 111.346 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.478 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 54.8 mttp -88.49 -167.51 1.9 Allowed 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 105.722 -1.955 . . . . 0.0 105.722 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.441 ' HB2' HD23 ' A' ' 4' ' ' HYP . 70.2 m -163.73 -44.11 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.11 0 CA-C-O 118.333 -0.842 . . . . 0.0 111.28 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' HYP . . . . . 0.441 HD23 ' HB2' ' A' ' 3' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 60.55 9.31 12.18 Favored Glycine 0 N--CA 1.499 2.836 0 O-C-N 124.518 1.136 . . . . 0.0 113.859 179.545 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.672 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 59.0 m -78.38 146.05 34.84 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 77.4 p -57.01 90.75 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 116.196 1.925 . . . . 0.0 116.196 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.594 ' SG ' ' HB2' ' A' ' 12' ' ' SER . 43.8 t -150.69 139.94 21.27 Favored 'General case' 0 N--CA 1.499 1.996 0 CA-C-N 114.774 -1.103 . . . . 0.0 108.856 179.603 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.543 ' HB2' HD23 ' A' ' 10' ' ' HYP . 69.8 m -125.47 -77.01 0.58 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 124.026 0.829 . . . . 0.0 111.883 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' HYP . . . . . 0.543 HD23 ' HB2' ' A' ' 9' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 76.0 p -139.21 33.92 2.11 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 125.689 1.868 . . . . 0.0 107.853 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.594 ' HB2' ' SG ' ' A' ' 8' ' ' CYS . 48.5 m -59.07 -18.6 36.6 Favored 'General case' 0 N--CA 1.505 2.321 0 C-N-CA 120.055 -0.658 . . . . 0.0 111.243 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 56.47 10.1 0.63 Allowed 'General case' 0 N--CA 1.5 2.061 0 N-CA-C 115.013 1.486 . . . . 0.0 115.013 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -63.63 -55.92 19.86 Favored 'General case' 0 N--CA 1.496 1.844 0 C-N-CA 119.694 -0.802 . . . . 0.0 110.093 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.672 ' SG ' ' HB2' ' A' ' 6' ' ' SER . 81.0 m -84.82 121.17 27.33 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 124.562 1.164 . . . . 0.0 113.618 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.7 m -68.3 -24.65 64.88 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 124.344 1.027 . . . . 0.0 111.771 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 64.9 ttt-85 -77.09 -85.82 0.06 Allowed 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 119.733 -0.787 . . . . 0.0 109.887 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 63.7 m -151.52 160.09 43.85 Favored 'General case' 0 N--CA 1.504 2.25 0 O-C-N 123.221 0.326 . . . . 0.0 111.193 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 87.2 m -118.92 103.7 9.84 Favored 'General case' 0 N--CA 1.501 2.12 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.404 ' HA ' ' CE2' ' A' ' 27' ' ' TYR . 22.3 t-20 -69.57 114.95 8.27 Favored 'General case' 0 N--CA 1.496 1.837 0 CA-C-N 113.582 -1.644 . . . . 0.0 111.268 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -79.34 -13.98 59.28 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 124.568 1.167 . . . . 0.0 110.7 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 82.2 p -142.27 -2.57 1.11 Allowed 'General case' 0 N--CA 1.499 2.011 0 CA-C-N 115.197 -0.91 . . . . 0.0 108.736 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt 66.25 26.41 10.42 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 124.674 1.234 . . . . 0.0 110.876 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -117.73 -172.27 2.21 Favored 'General case' 0 N--CA 1.498 1.954 0 CA-C-N 113.952 -1.476 . . . . 0.0 107.555 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.588 ' SG ' ' HB3' ' A' ' 8' ' ' CYS . 84.5 m -105.32 170.44 7.88 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 179.49 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.404 ' CE2' ' HA ' ' A' ' 20' ' ' ASN . 96.5 m-85 -95.29 144.17 26.08 Favored 'General case' 0 N--CA 1.499 1.986 0 CA-C-O 121.828 0.823 . . . . 0.0 110.415 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.395 0 O-C-N 119.185 -2.197 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.406 ' C ' ' HD2' ' A' ' 2' ' ' LYS . 28.7 p . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.438 0.637 . . . . 0.0 109.679 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.471 ' N ' ' HD2' ' A' ' 2' ' ' LYS . 9.6 mptt -128.92 -173.2 2.91 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 106.434 -1.691 . . . . 0.0 106.434 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.548 ' H ' ' CD ' ' A' ' 4' ' ' HYP . 70.1 m -159.0 -13.31 0.06 Allowed 'General case' 0 N--CA 1.501 2.081 0 CA-C-O 118.961 -0.542 . . . . 0.0 111.712 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' HYP . . . . . 0.548 ' CD ' ' H ' ' A' ' 3' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 99.76 -3.42 57.43 Favored Glycine 0 N--CA 1.502 3.034 0 N-CA-C 119.314 2.486 . . . . 0.0 119.314 179.315 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.693 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 32.2 t -81.42 122.36 27.4 Favored 'General case' 0 N--CA 1.505 2.325 0 CA-C-N 119.723 1.761 . . . . 0.0 109.468 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 74.2 p -50.72 98.33 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.776 0 O-C-N 125.036 1.46 . . . . 0.0 114.366 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.866 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 24.5 p -150.29 153.15 35.63 Favored 'General case' 0 N--CA 1.493 1.706 0 CA-C-N 114.253 -1.34 . . . . 0.0 110.183 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.504 ' CB ' HD23 ' A' ' 10' ' ' HYP . 73.3 m -135.97 -44.58 0.65 Allowed 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' HYP . . . . . 0.504 HD23 ' CB ' ' A' ' 9' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.5 p -61.3 -14.09 24.14 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 124.902 1.377 . . . . 0.0 114.367 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.498 ' HB2' ' HB2' ' A' ' 8' ' ' CYS . 64.7 m -59.05 -47.14 86.33 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 123.668 0.605 . . . . 0.0 110.444 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 51.36 16.75 0.44 Allowed 'General case' 0 N--CA 1.504 2.249 0 N-CA-C 115.13 1.53 . . . . 0.0 115.13 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 35.7 p30 -74.16 1.85 10.31 Favored 'General case' 0 N--CA 1.5 2.049 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.866 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 38.5 m -115.7 126.87 54.66 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 123.881 0.738 . . . . 0.0 110.12 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 63.1 m -72.95 -23.92 60.74 Favored 'General case' 0 N--CA 1.501 2.092 0 C-N-CA 118.483 -1.287 . . . . 0.0 108.875 179.419 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 57.2 ttt-85 -81.25 -102.1 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 58.8 m -153.65 172.43 17.26 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 71.7 m -117.94 115.04 24.11 Favored 'General case' 0 N--CA 1.497 1.922 0 N-CA-C 114.852 1.427 . . . . 0.0 114.852 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -69.17 114.61 7.6 Favored 'General case' 0 N--CA 1.489 1.508 0 CA-C-N 112.877 -1.965 . . . . 0.0 108.288 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -81.67 -28.53 33.51 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 124.506 1.129 . . . . 0.0 108.735 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 77.4 p -109.0 -15.92 14.25 Favored 'General case' 0 N--CA 1.496 1.855 0 CA-C-N 114.281 -1.327 . . . . 0.0 110.299 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.51 ' HD2' ' N ' ' A' ' 24' ' ' LYS . 10.8 mptt 62.43 38.34 12.88 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 124.73 1.269 . . . . 0.0 108.895 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 48.5 mtm180 -141.86 173.46 11.49 Favored 'General case' 0 N--CA 1.501 2.088 0 CA-C-N 113.94 -1.482 . . . . 0.0 108.878 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.693 ' SG ' ' HB3' ' A' ' 6' ' ' SER . 47.5 m -65.89 156.39 33.55 Favored 'General case' 0 N--CA 1.506 2.371 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 179.736 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -69.08 -80.35 0.05 OUTLIER 'General case' 0 N--CA 1.506 2.35 0 C-N-CA 118.388 -1.325 . . . . 0.0 109.854 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.293 0 O-C-N 118.789 -2.445 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.4 p . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.458 ' HB3' ' CB ' ' A' ' 6' ' ' SER . 75.8 mmtt -133.92 97.83 3.99 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 123.636 0.585 . . . . 0.0 111.277 -179.769 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.1 m -61.44 -58.79 6.79 Favored 'General case' 0 N--CA 1.497 1.92 0 N-CA-C 114.314 1.227 . . . . 0.0 114.314 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 56.58 20.84 32.81 Favored Glycine 0 N--CA 1.494 2.561 0 O-C-N 124.534 1.146 . . . . 0.0 113.142 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.596 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 50.1 m -71.42 -162.43 0.08 Allowed 'General case' 0 N--CA 1.493 1.689 0 CA-C-O 118.806 -0.616 . . . . 0.0 109.771 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 57.0 m -104.2 91.92 4.14 Favored 'General case' 0 N--CA 1.504 2.272 0 N-CA-C 114.782 1.401 . . . . 0.0 114.782 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.502 ' SG ' ' HB2' ' A' ' 12' ' ' SER . 51.5 t -151.98 126.24 9.29 Favored 'General case' 0 N--CA 1.499 1.984 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.793 179.663 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.479 ' HB2' HD23 ' A' ' 10' ' ' HYP . 66.0 m -89.55 -90.54 0.14 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 123.981 0.801 . . . . 0.0 112.945 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' HYP . . . . . 0.479 HD23 ' HB2' ' A' ' 9' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.9 t -158.8 36.46 0.22 Allowed 'General case' 0 C--N 1.306 -1.321 0 O-C-N 125.574 1.796 . . . . 0.0 106.258 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.502 ' HB2' ' SG ' ' A' ' 8' ' ' CYS . 50.0 m -53.82 -14.3 0.93 Allowed 'General case' 0 N--CA 1.505 2.308 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 63.65 0.07 0.82 Allowed 'General case' 0 N--CA 1.501 2.116 0 N-CA-C 115.213 1.56 . . . . 0.0 115.213 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.5 p30 -64.77 -19.74 65.98 Favored 'General case' 0 N--CA 1.499 2.02 0 C-N-CA 119.439 -0.904 . . . . 0.0 110.2 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.719 ' SG ' ' SG ' ' A' ' 19' ' ' CYS . 67.8 m -74.4 159.61 32.1 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 123.935 0.772 . . . . 0.0 109.357 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 63.3 m -79.35 -44.28 21.85 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.2 mmt85 -96.67 -82.65 0.4 Allowed 'General case' 0 N--CA 1.492 1.644 0 CA-C-N 114.283 -1.326 . . . . 0.0 109.773 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 70.3 m -149.41 169.25 21.29 Favored 'General case' 0 N--CA 1.499 2.016 0 CA-C-O 121.488 0.661 . . . . 0.0 112.383 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.719 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 72.3 m -107.5 102.12 11.41 Favored 'General case' 0 N--CA 1.496 1.862 0 CA-C-N 113.513 -1.676 . . . . 0.0 112.72 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -70.48 104.22 2.69 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -79.62 -43.6 22.55 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 124.427 1.079 . . . . 0.0 108.865 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.8 t -105.57 -4.57 21.01 Favored 'General case' 0 N--CA 1.493 1.71 0 CA-C-N 114.092 -1.413 . . . . 0.0 108.264 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.5 ' HD2' ' N ' ' A' ' 24' ' ' LYS . 0.4 OUTLIER 65.26 29.39 11.71 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 124.79 1.306 . . . . 0.0 113.262 179.815 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 71.3 mtm180 -123.43 175.21 6.88 Favored 'General case' 0 N--CA 1.495 1.804 0 CA-C-N 113.789 -1.55 . . . . 0.0 108.186 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.596 ' SG ' ' HB2' ' A' ' 6' ' ' SER . 80.0 m -86.21 178.77 7.08 Favored 'General case' 0 N--CA 1.502 2.167 0 C-N-CA 119.258 -0.977 . . . . 0.0 109.255 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -94.5 -66.73 0.9 Allowed 'General case' 0 N--CA 1.502 2.169 0 CA-C-O 121.612 0.72 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.363 0 O-C-N 119.307 -2.12 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.4 p . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.464 ' HB3' ' CB ' ' A' ' 6' ' ' SER . 47.7 mmtm -135.64 99.23 4.14 Favored 'General case' 0 N--CA 1.502 2.175 0 O-C-N 123.614 0.571 . . . . 0.0 111.277 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.5 m -60.89 -55.01 38.06 Favored 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 66.83 21.01 70.98 Favored Glycine 0 N--CA 1.491 2.361 0 O-C-N 124.464 1.102 . . . . 0.0 115.477 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.572 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 44.6 t -84.97 127.4 34.17 Favored 'General case' 0 N--CA 1.498 1.929 0 C-N-CA 119.035 -1.066 . . . . 0.0 109.685 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 68.9 m -34.93 84.72 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.155 0 N-CA-C 116.905 2.187 . . . . 0.0 116.905 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.589 ' SG ' ' HB2' ' A' ' 12' ' ' SER . 53.8 t -152.15 154.76 36.49 Favored 'General case' 0 N--CA 1.498 1.943 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.118 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.9 m -129.29 -80.57 0.56 Allowed 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 115.632 1.716 . . . . 0.0 115.632 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 86.1 m -149.68 29.89 0.75 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 125.538 1.773 . . . . 0.0 106.516 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.589 ' HB2' ' SG ' ' A' ' 8' ' ' CYS . 53.1 m -62.65 -19.87 64.24 Favored 'General case' 0 N--CA 1.503 2.199 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 58.17 2.91 0.21 Allowed 'General case' 0 N--CA 1.505 2.301 0 N-CA-C 114.967 1.469 . . . . 0.0 114.967 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 28.3 p30 -62.74 -15.62 53.95 Favored 'General case' 0 N--CA 1.499 1.978 0 C-N-CA 120.234 -0.586 . . . . 0.0 111.648 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.712 ' SG ' ' SG ' ' A' ' 19' ' ' CYS . 64.6 m -84.08 159.26 21.18 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.192 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 61.6 m -81.22 -50.53 9.45 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 105.71 -1.959 . . . . 0.0 105.71 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.5 tpt180 -82.29 -85.31 0.11 Allowed 'General case' 0 N--CA 1.491 1.578 0 CA-C-N 114.03 -1.441 . . . . 0.0 107.967 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 71.1 m -155.51 170.53 21.74 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 123.994 0.808 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.712 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 85.9 m -104.84 100.27 9.9 Favored 'General case' 0 N--CA 1.496 1.844 0 CA-C-N 113.736 -1.575 . . . . 0.0 110.547 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -75.16 102.06 4.82 Favored 'General case' 0 N--CA 1.494 1.775 0 CA-C-N 114.979 -1.009 . . . . 0.0 108.7 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -79.04 -39.03 35.03 Favored 'General case' 0 N--CA 1.499 2.019 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 66.8 p -93.08 -9.67 38.77 Favored 'General case' 0 N--CA 1.494 1.761 0 CA-C-N 114.083 -1.417 . . . . 0.0 108.897 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.24 30.59 19.98 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 105.87 -1.9 . . . . 0.0 105.87 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.498 ' HA ' ' H ' ' A' ' 8' ' ' CYS . 90.2 mtt-85 -139.65 172.79 12.28 Favored 'General case' 0 N--CA 1.496 1.871 0 CA-C-N 113.683 -1.599 . . . . 0.0 110.298 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.572 ' SG ' ' HB3' ' A' ' 6' ' ' SER . 64.5 m -80.75 -176.93 6.08 Favored 'General case' 0 N--CA 1.5 2.07 0 C-N-CA 119.986 -0.685 . . . . 0.0 111.538 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -85.28 -85.88 0.14 Allowed 'General case' 0 N--CA 1.497 1.875 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.159 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.241 0 O-C-N 118.94 -2.35 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.6 p . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -131.2 111.27 11.78 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 123.856 0.723 . . . . 0.0 110.592 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.494 ' HB2' HD23 ' A' ' 4' ' ' HYP . 50.8 m -71.47 -35.42 70.84 Favored 'General case' 0 N--CA 1.495 1.781 0 CA-C-O 117.435 -1.269 . . . . 0.0 113.448 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' HYP . . . . . 0.494 HD23 ' HB2' ' A' ' 3' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 111.1 -20.29 23.99 Favored Glycine 0 N--CA 1.502 3.049 0 N-CA-C 117.612 1.805 . . . . 0.0 117.612 179.288 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.608 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 47.7 t -66.5 113.15 4.5 Favored 'General case' 0 N--CA 1.498 1.973 0 C-N-CA 118.85 -1.14 . . . . 0.0 109.405 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 74.5 p -51.84 95.6 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.804 0 O-C-N 125.146 1.529 . . . . 0.0 113.439 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.823 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 31.6 p -150.76 164.36 36.38 Favored 'General case' 0 N--CA 1.491 1.606 0 CA-C-N 114.526 -1.215 . . . . 0.0 111.038 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.453 ' HB2' HD23 ' A' ' 10' ' ' HYP . 74.7 m -147.95 -131.88 0.06 Allowed 'General case' 0 N--CA 1.492 1.636 0 CA-C-N 114.275 -1.33 . . . . 0.0 109.364 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' HYP . . . . . 0.453 HD23 ' HB2' ' A' ' 9' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.6 t -148.44 9.81 0.84 Allowed 'General case' 0 N--CA 1.498 1.938 0 O-C-N 124.084 0.865 . . . . 0.0 111.624 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.1 m -58.29 -50.62 72.97 Favored 'General case' 0 N--CA 1.498 1.933 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.655 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 59.76 8.41 1.33 Allowed 'General case' 0 N--CA 1.502 2.137 0 O-C-N 124.709 1.255 . . . . 0.0 112.895 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 47.3 p30 -71.46 -4.17 25.11 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.823 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 61.5 m -87.06 156.95 19.53 Favored 'General case' 0 N--CA 1.493 1.679 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.63 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 60.5 m -76.72 -40.72 47.68 Favored 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 104.251 -2.5 . . . . 0.0 104.251 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 25.4 tpt180 -90.82 -93.8 0.13 Allowed 'General case' 0 N--CA 1.49 1.559 0 CA-C-N 113.244 -1.798 . . . . 0.0 106.772 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.9 m -157.07 179.25 9.47 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 123.767 0.667 . . . . 0.0 109.462 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.623 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 98.2 m -107.6 103.2 12.45 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 123.991 0.807 . . . . 0.0 111.703 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.425 ' HA ' HD23 ' A' ' 21' ' ' HYP . 24.4 t-20 -66.49 130.77 44.31 Favored 'General case' 0 N--CA 1.497 1.885 0 CA-C-N 114.81 -1.087 . . . . 0.0 110.398 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' HYP . . . . . 0.425 HD23 ' HA ' ' A' ' 20' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -78.87 -43.67 24.53 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 124.246 0.966 . . . . 0.0 108.502 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.0 t -105.63 -10.79 16.62 Favored 'General case' 0 N--CA 1.492 1.656 0 CA-C-N 114.258 -1.337 . . . . 0.0 108.812 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 60.8 mttp 61.47 45.76 8.1 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 124.564 1.165 . . . . 0.0 110.098 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 90.9 mtt-85 -142.67 162.45 35.44 Favored 'General case' 0 N--CA 1.498 1.973 0 CA-C-N 113.248 -1.797 . . . . 0.0 107.319 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.608 ' SG ' ' HB3' ' A' ' 6' ' ' SER . 69.2 m -63.36 153.52 34.78 Favored 'General case' 0 N--CA 1.5 2.056 0 C-N-CA 119.568 -0.853 . . . . 0.0 111.533 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -66.32 94.38 0.26 Allowed 'General case' 0 N--CA 1.502 2.154 0 CA-C-O 122.126 0.965 . . . . 0.0 111.182 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.384 0 O-C-N 119.245 -2.16 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 32.0 p . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -118.44 118.97 33.18 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 106.338 -1.727 . . . . 0.0 106.338 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.427 ' HB2' HD23 ' A' ' 4' ' ' HYP . 45.0 m -74.11 -47.55 35.51 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' HYP . . . . . 0.427 HD23 ' HB2' ' A' ' 3' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 59.95 12.62 22.84 Favored Glycine 0 N--CA 1.497 2.705 0 O-C-N 124.581 1.176 . . . . 0.0 113.26 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.407 ' OG ' ' SG ' ' A' ' 26' ' ' CYS . 61.6 p -88.15 126.71 35.27 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-O 121.275 0.56 . . . . 0.0 110.271 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 52.7 m -43.24 128.65 4.73 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 115.368 1.618 . . . . 0.0 115.368 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 40.7 t -147.34 144.73 28.97 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-N 113.619 -1.628 . . . . 0.0 109.442 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.442 ' CB ' ' CD ' ' A' ' 10' ' ' HYP . 49.8 m -115.48 -80.99 0.6 Allowed 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 107.667 -1.235 . . . . 0.0 107.667 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' HYP . . . . . 0.442 ' CD ' ' CB ' ' A' ' 9' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.8 p -83.01 32.27 0.43 Allowed 'General case' 0 N--CA 1.496 1.853 0 O-C-N 124.61 1.194 . . . . 0.0 113.026 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 64.0 m -76.9 -35.1 57.62 Favored 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 55.96 13.36 1.11 Allowed 'General case' 0 N--CA 1.501 2.105 0 O-C-N 124.661 1.226 . . . . 0.0 113.609 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -76.36 -41.08 49.32 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.415 ' SG ' ' HA ' ' A' ' 19' ' ' CYS . 63.8 m -51.63 107.94 0.23 Allowed 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 63.3 m -66.19 -45.44 80.82 Favored 'General case' 0 N--CA 1.5 2.07 0 N-CA-C 105.546 -2.02 . . . . 0.0 105.546 179.54 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.1 tpp180 -83.34 -86.38 0.11 Allowed 'General case' 0 N--CA 1.491 1.598 0 CA-C-N 113.313 -1.767 . . . . 0.0 109.698 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 69.9 m -150.1 167.47 26.71 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 123.741 0.651 . . . . 0.0 111.117 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.415 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 51.8 t -97.21 109.88 22.54 Favored 'General case' 0 N--CA 1.497 1.903 0 CA-C-N 114.332 -1.303 . . . . 0.0 111.34 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.401 ' H ' ' HA ' ' A' ' 26' ' ' CYS . 40.6 t-20 -83.17 92.05 7.37 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 124.521 1.138 . . . . 0.0 108.002 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -79.43 -29.33 41.85 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 124.61 1.194 . . . . 0.0 108.794 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.419 HG23 ' HE ' ' A' ' 25' ' ' ARG . 9.7 t -119.13 -2.76 10.68 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-N 114.146 -1.388 . . . . 0.0 110.451 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 60.0 mttp 75.13 19.05 2.36 Favored 'General case' 0 N--CA 1.506 2.329 0 N-CA-C 115.738 1.755 . . . . 0.0 115.738 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.419 ' HE ' HG23 ' A' ' 23' ' ' THR . 1.9 mpp_? -130.0 -168.22 1.93 Allowed 'General case' 0 N--CA 1.504 2.255 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 179.484 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.407 ' SG ' ' OG ' ' A' ' 6' ' ' SER . 63.0 m -95.44 168.15 10.88 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -78.79 113.71 17.1 Favored 'General case' 0 N--CA 1.496 1.872 0 CA-C-O 121.877 0.846 . . . . 0.0 110.022 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.429 0 O-C-N 119.409 -2.057 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 22.7 p . . . . . 0 N--CA 1.489 1.482 0 CA-C-O 121.352 0.596 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -89.12 -159.01 0.53 Allowed 'General case' 0 N--CA 1.5 2.071 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.482 ' HB2' HD23 ' A' ' 4' ' ' HYP . 74.6 m -167.18 -43.09 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.161 0 CA-C-O 118.001 -0.999 . . . . 0.0 111.822 179.502 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' HYP . . . . . 0.482 HD23 ' HB2' ' A' ' 3' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 65.85 3.43 15.97 Favored Glycine 0 N--CA 1.498 2.79 0 O-C-N 123.961 0.788 . . . . 0.0 112.92 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.465 ' OG ' ' SG ' ' A' ' 15' ' ' CYS . 53.8 p -81.76 127.82 33.36 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 51.1 m -50.38 133.65 24.15 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 114.363 1.246 . . . . 0.0 114.363 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 27.4 p -150.38 -172.63 4.23 Favored 'General case' 0 N--CA 1.496 1.839 0 CA-C-N 113.755 -1.566 . . . . 0.0 107.571 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.51 ' CB ' HD23 ' A' ' 10' ' ' HYP . 66.2 m -139.84 -58.83 0.56 Allowed 'General case' 0 N--CA 1.501 2.099 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' HYP . . . . . 0.51 HD23 ' CB ' ' A' ' 9' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 86.9 m -152.9 55.03 0.78 Allowed 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 105.37 -2.085 . . . . 0.0 105.37 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.2 m -66.87 -3.77 7.73 Favored 'General case' 0 N--CA 1.497 1.919 0 CA-C-N 114.044 -1.434 . . . . 0.0 112.9 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 59.16 9.86 1.47 Allowed 'General case' 0 N--CA 1.503 2.219 0 O-C-N 123.947 0.779 . . . . 0.0 112.618 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.42 ' ND2' ' SG ' ' A' ' 15' ' ' CYS . 13.9 p-10 -60.42 -26.44 66.7 Favored 'General case' 0 N--CA 1.497 1.914 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.797 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.465 ' SG ' ' OG ' ' A' ' 6' ' ' SER . 77.1 m -107.01 175.91 5.35 Favored 'General case' 0 N--CA 1.489 1.496 0 CA-C-N 114.475 -1.239 . . . . 0.0 111.528 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.9 m -90.56 -46.94 7.99 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-N 113.221 -1.809 . . . . 0.0 107.886 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -75.09 -103.51 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 CA-C-N 114.115 -1.402 . . . . 0.0 111.517 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 68.5 m -152.61 176.23 11.95 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 123.686 0.616 . . . . 0.0 110.217 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.4 t -101.61 105.86 16.85 Favored 'General case' 0 N--CA 1.493 1.702 0 CA-C-N 114.778 -1.101 . . . . 0.0 113.734 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.4 ' H ' ' HA ' ' A' ' 26' ' ' CYS . 23.4 t-20 -69.46 96.61 0.92 Allowed 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 106.972 -1.492 . . . . 0.0 106.972 179.494 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -79.69 -31.52 41.32 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 124.814 1.321 . . . . 0.0 107.572 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 76.7 p -114.89 -5.72 12.59 Favored 'General case' 0 N--CA 1.494 1.75 0 CA-C-N 114.143 -1.39 . . . . 0.0 109.734 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.538 ' HD2' ' N ' ' A' ' 24' ' ' LYS . 11.0 mptt 63.47 28.59 15.41 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 124.525 1.14 . . . . 0.0 110.571 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 62.0 mtm180 -129.86 175.93 8.45 Favored 'General case' 0 N--CA 1.5 2.045 0 N-CA-C 105.196 -2.15 . . . . 0.0 105.196 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.4 ' HA ' ' H ' ' A' ' 20' ' ' ASN . 72.6 m -91.96 170.18 10.06 Favored 'General case' 0 N--CA 1.499 2.003 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -74.5 101.19 4.08 Favored 'General case' 0 N--CA 1.499 2.015 0 CA-C-O 122.258 1.028 . . . . 0.0 113.164 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.441 0 O-C-N 119.529 -1.982 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.4 p . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -142.93 104.8 4.37 Favored 'General case' 0 N--CA 1.504 2.25 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.424 ' HB2' HD23 ' A' ' 4' ' ' HYP . 49.0 m -60.18 -42.91 96.03 Favored 'General case' 0 N--CA 1.496 1.834 0 CA-C-O 117.624 -1.179 . . . . 0.0 113.213 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' HYP . . . . . 0.424 HD23 ' HB2' ' A' ' 3' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 89.46 -5.28 84.02 Favored Glycine 0 N--CA 1.497 2.763 0 N-CA-C 117.232 1.653 . . . . 0.0 117.232 179.195 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.623 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 44.4 t -76.25 135.06 39.66 Favored 'General case' 0 N--CA 1.5 2.069 0 C-N-CA 118.286 -1.365 . . . . 0.0 109.024 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 55.6 m -54.76 92.84 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.737 0 O-C-N 125.198 1.561 . . . . 0.0 115.184 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.639 ' SG ' ' HB2' ' A' ' 12' ' ' SER . 53.2 t -150.39 143.89 25.12 Favored 'General case' 0 N--CA 1.494 1.737 0 CA-C-N 114.896 -1.047 . . . . 0.0 108.737 179.533 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.507 ' HB2' HD23 ' A' ' 10' ' ' HYP . 70.3 m -133.45 -74.64 0.49 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 124.117 0.886 . . . . 0.0 112.027 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' HYP . . . . . 0.507 HD23 ' HB2' ' A' ' 9' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 74.4 p -132.87 22.17 4.2 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 125.504 1.753 . . . . 0.0 110.114 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.639 ' HB2' ' SG ' ' A' ' 8' ' ' CYS . 57.2 m -66.46 -26.71 67.33 Favored 'General case' 0 N--CA 1.504 2.235 0 C-N-CA 119.144 -1.022 . . . . 0.0 108.642 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 44.38 19.56 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.058 0 N-CA-C 117.939 2.57 . . . . 0.0 117.939 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 24.0 p30 -72.79 1.0 9.37 Favored 'General case' 0 N--CA 1.501 2.115 0 C-N-CA 118.928 -1.109 . . . . 0.0 110.797 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.598 ' SG ' ' SG ' ' A' ' 19' ' ' CYS . 57.7 m -89.38 156.39 18.72 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 123.843 0.715 . . . . 0.0 111.438 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 65.2 m -86.36 -49.61 7.52 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 105.711 -1.959 . . . . 0.0 105.711 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 57.2 ttt85 -81.96 -85.4 0.11 Allowed 'General case' 0 N--CA 1.49 1.561 0 CA-C-N 113.591 -1.64 . . . . 0.0 109.351 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.432 ' HB2' ' CD1' ' A' ' 27' ' ' TYR . 69.2 m -150.14 169.63 20.84 Favored 'General case' 0 N--CA 1.495 1.793 0 CA-C-O 121.656 0.741 . . . . 0.0 111.574 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.598 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 92.4 m -104.28 99.1 8.81 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-N 113.415 -1.72 . . . . 0.0 112.115 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -70.12 96.49 1.08 Allowed 'General case' 0 N--CA 1.495 1.795 0 CA-C-N 113.986 -1.461 . . . . 0.0 109.776 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -90.18 -29.87 17.96 Favored 'General case' 0 N--CA 1.499 2.0 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 179.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.443 ' O ' ' HB2' ' A' ' 24' ' ' LYS . 71.5 p -118.2 -12.61 9.96 Favored 'General case' 0 N--CA 1.499 1.995 0 CA-C-N 114.501 -1.227 . . . . 0.0 109.41 179.747 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.604 ' HE2' ' N ' ' A' ' 24' ' ' LYS . 0.1 OUTLIER 83.69 16.13 0.27 Allowed 'General case' 0 N--CA 1.501 2.087 0 C-N-CA 126.161 1.785 . . . . 0.0 111.274 -179.782 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.418 ' HD2' ' C ' ' A' ' 24' ' ' LYS . 4.7 mpt_? -119.19 -168.64 1.6 Allowed 'General case' 0 N--CA 1.502 2.143 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.678 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.623 ' SG ' ' HB3' ' A' ' 6' ' ' SER . 70.1 m -93.67 165.15 12.85 Favored 'General case' 0 N--CA 1.498 1.974 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 179.578 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.432 ' CD1' ' HB2' ' A' ' 18' ' ' SER . 46.3 m-85 -74.2 -76.44 0.13 Allowed 'General case' 0 N--CA 1.499 2.002 0 C-N-CA 119.577 -0.849 . . . . 0.0 110.146 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.351 0 O-C-N 119.071 -2.268 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.1 p . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.908 0.861 . . . . 0.0 110.059 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.617 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 14.3 mmmm -104.29 179.38 4.29 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 104.304 -2.48 . . . . 0.0 104.304 179.433 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.449 ' HB2' HD23 ' A' ' 4' ' ' HYP . 72.9 m -156.4 -17.84 0.1 Allowed 'General case' 0 N--CA 1.502 2.125 0 CA-C-O 118.239 -0.886 . . . . 0.0 112.539 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' HYP . . . . . 0.449 HD23 ' HB2' ' A' ' 3' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 68.53 22.42 75.01 Favored Glycine 0 N--CA 1.493 2.437 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 179.223 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.7 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 31.9 t -84.21 117.55 23.59 Favored 'General case' 0 N--CA 1.502 2.125 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 77.3 p -43.9 83.57 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.131 0 N-CA-C 116.957 2.206 . . . . 0.0 116.957 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.805 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 30.6 p -151.81 170.43 19.81 Favored 'General case' 0 N--CA 1.497 1.893 0 CA-C-N 115.326 -0.852 . . . . 0.0 112.156 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.3 m -144.82 -72.51 0.26 Allowed 'General case' 0 N--CA 1.493 1.692 0 CA-C-N 114.594 -1.185 . . . . 0.0 113.127 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 76.2 p -122.59 21.62 10.08 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 125.442 1.714 . . . . 0.0 110.394 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.6 m -59.98 -49.72 76.58 Favored 'General case' 0 N--CA 1.501 2.101 0 C-N-CA 119.925 -0.71 . . . . 0.0 110.256 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 55.59 15.9 1.69 Allowed 'General case' 0 N--CA 1.501 2.1 0 N-CA-C 114.551 1.315 . . . . 0.0 114.551 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.467 ' H ' HD22 ' A' ' 14' ' ' ASN . 3.3 p30 -64.33 -31.1 72.16 Favored 'General case' 0 N--CA 1.502 2.154 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.989 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.7 ' SG ' ' HB3' ' A' ' 6' ' ' SER . 79.1 m -93.44 142.69 27.04 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 123.859 0.724 . . . . 0.0 110.113 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 64.5 m -72.03 -15.78 62.04 Favored 'General case' 0 N--CA 1.496 1.828 0 C-N-CA 119.627 -0.829 . . . . 0.0 109.766 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.7 mmt85 -88.06 -108.98 0.07 Allowed 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 107.281 -1.378 . . . . 0.0 107.281 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.6 m -151.8 165.47 34.36 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 123.264 0.352 . . . . 0.0 110.248 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 97.7 m -104.88 102.23 11.78 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 124.382 1.051 . . . . 0.0 112.371 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.407 ' HA ' HD23 ' A' ' 21' ' ' HYP . 28.3 t-20 -70.09 125.67 27.45 Favored 'General case' 0 N--CA 1.497 1.886 0 CA-C-N 114.805 -1.089 . . . . 0.0 109.96 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' HYP . . . . . 0.407 HD23 ' HA ' ' A' ' 20' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -79.42 -45.34 19.64 Favored 'General case' 0 N--CA 1.499 2.021 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 67.1 p -95.02 -9.87 32.56 Favored 'General case' 0 N--CA 1.494 1.735 0 CA-C-N 114.2 -1.364 . . . . 0.0 110.615 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.2 tttp 61.44 35.73 17.58 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 107.342 -1.355 . . . . 0.0 107.342 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 43.0 mtm105 -142.42 161.89 36.87 Favored 'General case' 0 N--CA 1.5 2.045 0 CA-C-N 113.991 -1.458 . . . . 0.0 108.453 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.805 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 80.7 m -72.82 169.28 17.11 Favored 'General case' 0 N--CA 1.496 1.838 0 C-N-CA 119.453 -0.899 . . . . 0.0 111.887 179.757 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -76.57 -82.99 0.07 Allowed 'General case' 0 N--CA 1.498 1.929 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.409 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.37 0 O-C-N 119.0 -2.312 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 30.1 p . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.514 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 65.9 mttm -150.79 -161.81 1.42 Allowed 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 103.885 -2.635 . . . . 0.0 103.885 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.408 ' HB2' HD23 ' A' ' 4' ' ' HYP . 70.2 m -154.74 -49.43 0.09 Allowed 'General case' 0 N--CA 1.504 2.242 0 N-CA-C 113.326 0.862 . . . . 0.0 113.326 179.622 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' HYP . . . . . 0.408 HD23 ' HB2' ' A' ' 3' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 60.58 21.04 57.15 Favored Glycine 0 N--CA 1.497 2.732 0 O-C-N 123.95 0.781 . . . . 0.0 114.279 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.565 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 39.0 t -81.31 139.71 35.23 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 77.4 p -45.36 84.09 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.1 0 N-CA-C 115.297 1.591 . . . . 0.0 115.297 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.609 ' SG ' ' HB2' ' A' ' 12' ' ' SER . 51.4 t -151.41 135.08 16.32 Favored 'General case' 0 N--CA 1.493 1.683 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.013 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.531 ' HB2' HD23 ' A' ' 10' ' ' HYP . 72.8 m -110.34 -77.45 0.59 Allowed 'General case' 0 N--CA 1.495 1.82 0 N-CA-C 113.291 0.848 . . . . 0.0 113.291 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' HYP . . . . . 0.531 HD23 ' HB2' ' A' ' 9' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.8 m -150.65 45.82 0.86 Allowed 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 104.81 -2.292 . . . . 0.0 104.81 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.609 ' HB2' ' SG ' ' A' ' 8' ' ' CYS . 51.0 m -60.33 0.05 0.21 Allowed 'General case' 0 N--CA 1.51 2.526 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 60.97 23.92 14.02 Favored 'General case' 0 N--CA 1.503 2.179 0 C-N-CA 123.474 0.71 . . . . 0.0 112.758 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -78.25 -57.68 3.65 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-N 115.21 -0.904 . . . . 0.0 111.534 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.565 ' SG ' ' HB3' ' A' ' 6' ' ' SER . 82.2 m -102.38 136.17 42.68 Favored 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 114.491 1.293 . . . . 0.0 114.491 -179.677 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.7 m -69.49 -22.57 63.61 Favored 'General case' 0 N--CA 1.499 2.009 0 CA-C-N 114.739 -1.118 . . . . 0.0 109.641 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.9 mmt180 -73.19 -96.77 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 107.3 -1.37 . . . . 0.0 107.3 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.7 m -155.65 156.88 35.76 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 95.2 m -107.75 103.03 12.21 Favored 'General case' 0 N--CA 1.491 1.604 0 CA-C-N 114.265 -1.334 . . . . 0.0 111.04 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -64.78 117.23 7.21 Favored 'General case' 0 N--CA 1.491 1.585 0 CA-C-N 113.868 -1.515 . . . . 0.0 111.087 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -79.08 -5.22 53.55 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 124.695 1.247 . . . . 0.0 111.428 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 68.7 p -140.7 -12.15 1.0 Allowed 'General case' 0 N--CA 1.5 2.027 0 O-C-N 123.969 0.793 . . . . 0.0 109.436 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt 67.07 27.3 8.71 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 124.795 1.309 . . . . 0.0 109.508 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.427 ' HA ' ' H ' ' A' ' 8' ' ' CYS . 81.7 mtt85 -129.81 178.33 6.6 Favored 'General case' 0 N--CA 1.496 1.87 0 CA-C-N 113.232 -1.804 . . . . 0.0 107.121 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 62.7 m -91.66 -176.35 4.45 Favored 'General case' 0 N--CA 1.496 1.838 0 CA-C-N 119.111 0.869 . . . . 0.0 110.743 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -95.64 -71.35 0.67 Allowed 'General case' 0 N--CA 1.497 1.909 0 CA-C-O 121.758 0.79 . . . . 0.0 109.203 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.31 0 O-C-N 119.044 -2.285 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.0 p . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.511 ' N ' ' HD2' ' A' ' 2' ' ' LYS . 1.9 mptp? -107.79 124.98 50.86 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 103.638 -2.727 . . . . 0.0 103.638 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.421 ' HB2' HD23 ' A' ' 4' ' ' HYP . 50.2 m -82.36 -45.86 14.34 Favored 'General case' 0 N--CA 1.507 2.377 0 N-CA-C 116.159 1.911 . . . . 0.0 116.159 -179.656 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' HYP . . . . . 0.421 HD23 ' HB2' ' A' ' 3' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 56.29 21.18 32.14 Favored Glycine 0 N--CA 1.498 2.818 0 O-C-N 124.553 1.158 . . . . 0.0 113.605 179.557 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.64 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 44.7 m -81.82 114.02 20.16 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 53.6 m -45.32 90.26 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.065 0 N-CA-C 116.991 2.219 . . . . 0.0 116.991 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.908 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 28.4 p -151.45 171.1 18.07 Favored 'General case' 0 N--CA 1.495 1.79 0 CA-C-N 114.985 -1.007 . . . . 0.0 112.264 179.634 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.499 ' CB ' HD23 ' A' ' 10' ' ' HYP . 66.6 m -142.52 -145.36 0.17 Allowed 'General case' 0 N--CA 1.494 1.733 0 CA-C-N 114.066 -1.425 . . . . 0.0 107.357 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' HYP . . . . . 0.499 HD23 ' CB ' ' A' ' 9' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.43 ' HA ' ' CZ ' ' A' ' 13' ' ' TYR . 72.3 p -74.31 10.28 1.34 Allowed 'General case' 0 N--CA 1.497 1.893 0 O-C-N 124.503 1.127 . . . . 0.0 113.767 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.0 m -64.57 -43.46 93.83 Favored 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.43 ' CZ ' ' HA ' ' A' ' 11' ' ' THR . 21.3 m-85 56.86 12.4 1.16 Allowed 'General case' 0 N--CA 1.502 2.142 0 CA-C-N 114.284 -1.326 . . . . 0.0 112.162 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -67.8 -30.51 69.95 Favored 'General case' 0 N--CA 1.494 1.735 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.017 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.908 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 62.3 m -69.58 126.78 30.76 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 115.687 1.736 . . . . 0.0 115.687 -179.646 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 63.1 m -67.06 -29.55 69.36 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 103.576 -2.75 . . . . 0.0 103.576 179.155 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.0 mmt85 -99.68 -88.73 0.34 Allowed 'General case' 0 N--CA 1.489 1.481 0 CA-C-N 113.247 -1.797 . . . . 0.0 107.366 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.401 ' C ' ' SG ' ' A' ' 15' ' ' CYS . 70.5 m -162.24 159.07 25.24 Favored 'General case' 0 N--CA 1.509 2.49 0 O-C-N 123.552 0.532 . . . . 0.0 110.601 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.827 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 70.8 m -94.82 100.39 12.28 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 123.816 0.697 . . . . 0.0 110.172 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -63.29 128.6 36.59 Favored 'General case' 0 N--CA 1.498 1.945 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.988 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -79.64 -32.39 41.66 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 124.077 0.86 . . . . 0.0 109.716 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 74.3 p -120.19 -3.24 10.06 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 124.393 1.058 . . . . 0.0 110.778 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm 62.14 37.67 14.3 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 124.223 0.952 . . . . 0.0 109.217 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 86.7 mtm180 -138.27 158.19 44.79 Favored 'General case' 0 N--CA 1.499 2.002 0 CA-C-N 113.9 -1.5 . . . . 0.0 107.734 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.64 ' SG ' ' HB2' ' A' ' 6' ' ' SER . 61.6 m -67.25 167.36 12.42 Favored 'General case' 0 N--CA 1.502 2.138 0 C-N-CA 119.392 -0.923 . . . . 0.0 112.485 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -77.71 -66.58 0.82 Allowed 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.297 0 O-C-N 119.159 -2.213 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.1 p . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 121.758 0.789 . . . . 0.0 109.935 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.464 ' NZ ' ' HB3' ' A' ' 2' ' ' LYS . 5.5 mtpm? -115.36 -167.38 1.24 Allowed 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 103.054 -2.943 . . . . 0.0 103.054 179.65 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.417 ' H ' ' CD ' ' A' ' 4' ' ' HYP . 68.5 m -154.46 -45.96 0.09 Allowed 'General case' 0 N--CA 1.504 2.239 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' HYP . . . . . 0.417 ' CD ' ' H ' ' A' ' 3' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 49.48 36.75 24.59 Favored Glycine 0 N--CA 1.499 2.883 0 O-C-N 124.818 1.324 . . . . 0.0 111.443 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.65 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 60.6 m -94.56 120.14 34.33 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-N 113.752 -1.224 . . . . 0.0 110.32 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 55.7 m -42.78 109.22 0.12 Allowed 'General case' 0 N--CA 1.498 1.925 0 O-C-N 124.66 1.225 . . . . 0.0 112.958 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.3 p -127.29 176.26 7.55 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-N 113.962 -1.472 . . . . 0.0 109.366 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.453 ' CB ' ' CD ' ' A' ' 10' ' ' HYP . 45.1 m -128.61 -102.74 0.32 Allowed 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 106.441 -1.689 . . . . 0.0 106.441 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' HYP . . . . . 0.453 ' CD ' ' CB ' ' A' ' 9' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.0 t -77.92 4.84 11.02 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 124.725 1.266 . . . . 0.0 112.559 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 63.4 m -56.43 -53.51 56.55 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 123.257 0.348 . . . . 0.0 110.592 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 51.29 19.21 0.72 Allowed 'General case' 0 N--CA 1.502 2.138 0 O-C-N 124.622 1.201 . . . . 0.0 113.175 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -62.82 -38.02 89.09 Favored 'General case' 0 N--CA 1.497 1.882 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.484 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.65 ' SG ' ' HB2' ' A' ' 6' ' ' SER . 62.3 m -92.25 149.38 21.49 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 124.709 1.255 . . . . 0.0 113.297 -179.779 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 64.7 m -84.49 -15.37 46.22 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 124.385 1.053 . . . . 0.0 109.558 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -79.26 -107.48 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 68.9 m -155.23 162.15 40.99 Favored 'General case' 0 N--CA 1.498 1.966 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 46.1 t -97.9 104.43 16.46 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 124.026 0.829 . . . . 0.0 112.639 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -65.04 106.54 1.29 Allowed 'General case' 0 N--CA 1.496 1.84 0 CA-C-N 114.871 -1.059 . . . . 0.0 108.203 179.723 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -79.67 -14.27 58.9 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 124.513 1.133 . . . . 0.0 110.242 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 73.4 p -133.44 -6.42 2.93 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 124.074 0.859 . . . . 0.0 111.025 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.489 ' HD3' ' N ' ' A' ' 24' ' ' LYS . 2.7 mppt? 57.78 41.93 24.24 Favored 'General case' 0 N--CA 1.502 2.169 0 CA-C-O 122.801 1.286 . . . . 0.0 109.719 -179.712 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 -140.04 167.01 23.12 Favored 'General case' 0 N--CA 1.499 1.998 0 CA-C-N 112.333 -2.212 . . . . 0.0 106.055 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.474 ' SG ' ' HB2' ' A' ' 6' ' ' SER . 85.1 m -81.58 -178.95 7.17 Favored 'General case' 0 N--CA 1.498 1.935 0 C-N-CA 119.445 -0.902 . . . . 0.0 113.108 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.3 m-30 -80.58 -82.82 0.11 Allowed 'General case' 0 N--CA 1.497 1.903 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.874 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.24 0 O-C-N 119.186 -2.196 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.9 p . . . . . 0 N--CA 1.49 1.537 0 CA-C-O 121.707 0.765 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.62 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 75.5 mmtt -125.77 -168.3 1.82 Allowed 'General case' 0 N--CA 1.492 1.652 0 CA-C-N 113.525 -1.67 . . . . 0.0 106.873 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.529 ' H ' ' CD ' ' A' ' 4' ' ' HYP . 69.5 m -162.39 -35.94 0.04 OUTLIER 'General case' 0 N--CA 1.503 2.191 0 CA-C-O 118.505 -0.76 . . . . 0.0 112.033 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' HYP . . . . . 0.529 ' CD ' ' H ' ' A' ' 3' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 52.38 24.69 17.48 Favored Glycine 0 N--CA 1.498 2.794 0 O-C-N 124.989 1.431 . . . . 0.0 113.147 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.619 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 67.6 m -86.72 132.46 33.86 Favored 'General case' 0 C--N 1.303 -1.416 0 CA-C-N 114.651 -0.774 . . . . 0.0 110.552 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 53.5 m -50.3 121.85 6.15 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 124.258 0.974 . . . . 0.0 112.922 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 24.1 p -150.55 -172.7 4.25 Favored 'General case' 0 N--CA 1.497 1.918 0 CA-C-N 114.238 -1.346 . . . . 0.0 109.456 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.45 ' CB ' ' CD ' ' A' ' 10' ' ' HYP . 45.7 m -142.05 -106.61 0.14 Allowed 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' HYP . . . . . 0.45 ' CD ' ' CB ' ' A' ' 9' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.9 t -68.57 -8.8 44.93 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 124.582 1.176 . . . . 0.0 111.56 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.6 m -55.17 -54.21 46.14 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 123.8 0.688 . . . . 0.0 111.145 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 53.09 23.67 3.13 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 124.659 1.225 . . . . 0.0 110.685 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -63.05 -26.88 69.05 Favored 'General case' 0 N--CA 1.495 1.815 0 CA-C-N 114.681 -1.145 . . . . 0.0 111.055 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.62 ' SG ' ' HB2' ' A' ' 2' ' ' LYS . 76.2 m -108.62 133.61 52.5 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 124.609 1.193 . . . . 0.0 112.726 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 98.2 m -71.73 -20.79 61.85 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 124.241 0.963 . . . . 0.0 110.835 179.689 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.405 ' CD ' ' N ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -79.22 -97.94 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 106.307 -1.738 . . . . 0.0 106.307 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.405 ' N ' ' CD ' ' A' ' 17' ' ' ARG . 64.5 m -157.54 157.95 34.73 Favored 'General case' 0 N--CA 1.5 2.028 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 54.0 t -100.43 108.82 20.9 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 124.285 0.99 . . . . 0.0 112.737 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -67.36 98.1 0.61 Allowed 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -79.21 -16.64 56.22 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 124.612 1.195 . . . . 0.0 109.571 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 73.8 p -131.37 -6.15 3.77 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 124.4 1.062 . . . . 0.0 110.171 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt 63.57 33.43 13.37 Favored 'General case' 0 N--CA 1.501 2.113 0 CA-C-O 122.318 1.056 . . . . 0.0 109.191 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 73.1 mtp180 -130.6 169.47 15.56 Favored 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 105.181 -2.155 . . . . 0.0 105.181 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 82.0 m -88.71 179.05 6.32 Favored 'General case' 0 N--CA 1.494 1.743 0 C-N-CA 119.249 -0.981 . . . . 0.0 112.913 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -73.3 -91.83 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.903 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.77 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.289 0 O-C-N 118.939 -2.351 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 25.7 p . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 122.105 0.955 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.581 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -96.08 -171.28 2.28 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-N 112.855 -1.975 . . . . 0.0 106.328 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.2 m . . . . . 0 N--CA 1.5 2.061 0 CA-C-O 118.647 -0.692 . . . . 0.0 110.874 179.825 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.673 0 N-CA-C 114.351 0.5 . . . . 0.0 114.351 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.629 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 48.5 t -95.59 130.77 42.34 Favored 'General case' 0 N--CA 1.498 1.959 0 C-N-CA 120.407 -0.517 . . . . 0.0 109.893 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 78.4 p -44.19 133.46 5.3 Favored 'General case' 0 N--CA 1.5 2.055 0 N-CA-C 114.679 1.363 . . . . 0.0 114.679 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.6 p -150.62 139.11 20.5 Favored 'General case' 0 N--CA 1.497 1.895 0 CA-C-N 114.397 -1.274 . . . . 0.0 107.819 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.0 m . . . . . 0 N--CA 1.497 1.889 0 O-C-N 123.825 0.703 . . . . 0.0 112.845 -179.774 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 75.4 p . . . . . 0 N--CA 1.494 1.76 0 N-CA-C 107.34 -1.355 . . . . 0.0 107.34 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.3 m -63.66 -9.13 12.34 Favored 'General case' 0 N--CA 1.497 1.883 0 CA-C-N 113.696 -1.593 . . . . 0.0 111.674 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 58.97 15.82 4.22 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 124.355 1.034 . . . . 0.0 111.743 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -65.21 -24.11 67.26 Favored 'General case' 0 N--CA 1.493 1.688 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.186 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.629 ' SG ' ' HB3' ' A' ' 6' ' ' SER . 60.7 m -132.61 146.13 51.65 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 124.686 1.241 . . . . 0.0 112.438 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.0 m -85.14 -6.15 59.31 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 124.442 1.089 . . . . 0.0 108.455 179.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.1 tpp180 -84.91 -109.31 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 71.2 m -153.42 163.61 39.63 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 50.1 t -97.17 106.35 18.67 Favored 'General case' 0 N--CA 1.497 1.921 0 N-CA-C 114.639 1.348 . . . . 0.0 114.639 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.536 HD22 ' H ' ' A' ' 23' ' ' THR . 2.2 t30 . . . . . 0 N--CA 1.495 1.82 0 CA-C-N 114.368 -1.287 . . . . 0.0 108.572 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.405 ' HB2' HD21 ' A' ' 20' ' ' ASN . 63.6 m-85 . . . . . 0 N--CA 1.5 2.027 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.536 ' H ' HD22 ' A' ' 20' ' ' ASN . 76.8 p -97.02 -13.26 22.4 Favored 'General case' 0 N--CA 1.495 1.803 0 CA-C-N 114.377 -1.283 . . . . 0.0 110.711 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.9 tttm 65.43 31.38 10.35 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 106.225 -1.769 . . . . 0.0 106.225 -179.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -132.56 -176.67 4.17 Favored 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 105.341 -2.096 . . . . 0.0 105.341 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 61.9 m -88.44 170.68 10.7 Favored 'General case' 0 N--CA 1.493 1.713 0 C-N-CA 119.843 -0.743 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 . . . . . 0 N--CA 1.501 2.1 0 CA-C-O 121.677 0.751 . . . . 0.0 110.463 179.939 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.2 p . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.445 ' H ' ' HA ' ' A' ' 15' ' ' CYS . 66.3 mttm -120.3 110.47 16.59 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 123.844 0.715 . . . . 0.0 109.677 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.0 m . . . . . 0 N--CA 1.5 2.037 0 C-N-CA 119.384 -0.927 . . . . 0.0 112.318 -179.853 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.73 0 CA-C-O 120.43 -0.094 . . . . 0.0 113.244 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.569 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 40.6 t -64.42 102.43 0.54 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 124.012 0.477 . . . . 0.0 110.271 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 57.1 m -54.72 88.29 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.944 0 O-C-N 124.776 1.297 . . . . 0.0 112.844 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.802 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 26.7 p -150.9 172.95 14.86 Favored 'General case' 0 N--CA 1.491 1.614 0 CA-C-N 113.996 -1.456 . . . . 0.0 111.518 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.6 m . . . . . 0 N--CA 1.489 1.514 0 CA-C-N 113.763 -1.562 . . . . 0.0 107.771 179.798 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.5 p . . . . . 0 N--CA 1.496 1.845 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 53.0 m -68.89 -49.39 58.65 Favored 'General case' 0 N--CA 1.499 1.984 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 59.49 2.29 0.32 Allowed 'General case' 0 N--CA 1.504 2.254 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 48.5 p30 -69.82 -10.14 57.32 Favored 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.569 ' SG ' ' HB3' ' A' ' 6' ' ' SER . 90.8 m -93.77 162.69 13.82 Favored 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 42.5 m -81.94 -42.3 19.64 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 106.312 -1.736 . . . . 0.0 106.312 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -89.64 -108.09 0.08 Allowed 'General case' 0 N--CA 1.492 1.63 0 CA-C-N 113.89 -1.505 . . . . 0.0 110.027 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 70.3 m -155.49 146.97 22.89 Favored 'General case' 0 N--CA 1.503 2.213 0 O-C-N 123.41 0.444 . . . . 0.0 109.901 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.559 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 62.5 m -77.99 110.7 13.15 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 123.923 0.765 . . . . 0.0 110.661 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.479 HD21 ' HB2' ' A' ' 22' ' ' TYR . 19.1 t30 . . . . . 0 N--CA 1.495 1.804 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.679 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.479 ' HB2' HD21 ' A' ' 20' ' ' ASN . 17.1 m-85 . . . . . 0 N--CA 1.499 2.024 0 N-CA-C 107.724 -1.213 . . . . 0.0 107.724 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 74.6 p -117.84 -8.45 10.81 Favored 'General case' 0 N--CA 1.494 1.735 0 CA-C-N 114.302 -1.317 . . . . 0.0 110.906 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.579 ' HE2' ' N ' ' A' ' 24' ' ' LYS . 0.1 OUTLIER 60.1 32.31 20.92 Favored 'General case' 0 N--CA 1.503 2.184 0 N-CA-C 106.533 -1.654 . . . . 0.0 106.533 -179.72 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 89.7 mtm-85 -145.11 145.93 31.61 Favored 'General case' 0 N--CA 1.5 2.032 0 CA-C-N 114.089 -1.414 . . . . 0.0 109.722 -179.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.802 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 95.2 m -72.36 164.8 25.73 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 115.076 1.509 . . . . 0.0 115.076 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 . . . . . 0 N--CA 1.487 1.412 0 CA-C-N 113.191 -1.822 . . . . 0.0 112.948 -179.536 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.7 p . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 122.216 1.007 . . . . 0.0 110.802 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -111.03 -167.46 1.18 Allowed 'General case' 0 N--CA 1.49 1.527 0 CA-C-N 112.632 -2.076 . . . . 0.0 106.381 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.2 m . . . . . 0 N--CA 1.496 1.873 0 CA-C-O 118.338 -0.839 . . . . 0.0 112.443 179.97 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.566 0 N-CA-C 114.716 0.646 . . . . 0.0 114.716 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.625 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 46.6 t -77.14 135.46 38.55 Favored 'General case' 0 N--CA 1.495 1.809 0 C-N-CA 119.241 -0.983 . . . . 0.0 108.434 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 77.7 p -52.23 109.88 0.43 Allowed 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 115.963 1.838 . . . . 0.0 115.963 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.461 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 38.7 t -140.15 127.17 20.84 Favored 'General case' 0 N--CA 1.497 1.9 0 CA-C-N 114.765 -1.107 . . . . 0.0 108.488 179.602 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 62.7 m . . . . . 0 N--CA 1.493 1.703 0 O-C-N 123.952 0.782 . . . . 0.0 111.11 -179.785 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 68.9 p . . . . . 0 N--CA 1.497 1.912 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 56.0 m -70.42 -17.11 63.01 Favored 'General case' 0 N--CA 1.499 1.989 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.566 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 62.77 -6.93 0.15 Allowed 'General case' 0 N--CA 1.501 2.115 0 N-CA-C 116.507 2.04 . . . . 0.0 116.507 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -72.54 -1.82 17.4 Favored 'General case' 0 N--CA 1.502 2.132 0 C-N-CA 119.74 -0.784 . . . . 0.0 111.634 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.59 ' SG ' ' SG ' ' A' ' 19' ' ' CYS . 64.9 m -108.17 81.46 1.49 Allowed 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 120.049 -0.66 . . . . 0.0 110.554 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.0 m -65.82 -5.71 9.79 Favored 'General case' 0 N--CA 1.499 1.984 0 C-N-CA 117.956 -1.498 . . . . 0.0 110.77 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.27 -83.17 0.43 Allowed 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 102.686 -3.079 . . . . 0.0 102.686 179.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 67.9 m -160.76 150.51 17.43 Favored 'General case' 0 N--CA 1.504 2.251 0 O-C-N 123.717 0.636 . . . . 0.0 110.03 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.59 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 95.8 m -97.64 109.58 22.31 Favored 'General case' 0 N--CA 1.502 2.144 0 N-CA-C 114.687 1.366 . . . . 0.0 114.687 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.428 ' HA ' ' CZ ' ' A' ' 27' ' ' TYR . 2.1 t30 . . . . . 0 N--CA 1.495 1.821 0 CA-C-N 114.234 -1.348 . . . . 0.0 108.781 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 . . . . . 0 N--CA 1.496 1.84 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 70.5 p -113.14 -3.67 13.91 Favored 'General case' 0 N--CA 1.496 1.859 0 CA-C-N 114.423 -1.262 . . . . 0.0 109.533 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.534 ' HD2' ' N ' ' A' ' 24' ' ' LYS . 11.1 mptt 62.38 45.48 6.54 Favored 'General case' 0 N--CA 1.495 1.82 0 CA-C-O 122.945 1.355 . . . . 0.0 109.594 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.0 mtp-105 -136.62 -171.52 2.93 Favored 'General case' 0 N--CA 1.496 1.826 0 CA-C-N 111.919 -2.4 . . . . 0.0 105.841 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.625 ' SG ' ' HB3' ' A' ' 6' ' ' SER . 58.6 m -101.58 171.24 7.68 Favored 'General case' 0 N--CA 1.506 2.359 0 C-N-CA 120.083 -0.647 . . . . 0.0 110.709 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.428 ' CZ ' ' HA ' ' A' ' 20' ' ' ASN . 84.7 m-85 . . . . . 0 N--CA 1.499 1.989 0 CA-C-O 121.721 0.772 . . . . 0.0 108.958 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.1 p . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.408 ' H ' ' HA ' ' A' ' 15' ' ' CYS . 47.1 mmtm -114.7 112.93 23.62 Favored 'General case' 0 N--CA 1.501 2.104 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.2 m . . . . . 0 N--CA 1.496 1.853 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 -179.729 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.584 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.417 ' OG ' ' SG ' ' A' ' 15' ' ' CYS . 58.3 p -75.34 140.67 43.21 Favored 'General case' 0 N--CA 1.485 1.318 0 CA-C-O 121.346 0.593 . . . . 0.0 110.413 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 81.6 p -48.91 116.54 1.69 Allowed 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 117.415 2.376 . . . . 0.0 117.415 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.41 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 42.2 t -150.78 131.51 14.05 Favored 'General case' 0 N--CA 1.496 1.83 0 CA-C-N 114.44 -1.254 . . . . 0.0 109.039 179.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.1 m . . . . . 0 N--CA 1.494 1.749 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 -179.82 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 75.7 p . . . . . 0 N--CA 1.495 1.822 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 55.0 m -70.88 -44.18 66.87 Favored 'General case' 0 N--CA 1.5 2.042 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 55.93 13.05 1.01 Allowed 'General case' 0 N--CA 1.501 2.09 0 O-C-N 124.752 1.283 . . . . 0.0 113.239 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 49.9 p30 -85.13 26.41 0.88 Allowed 'General case' 0 N--CA 1.495 1.805 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.241 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.417 ' SG ' ' OG ' ' A' ' 6' ' ' SER . 92.3 m -129.74 158.42 39.46 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-N 115.052 -0.976 . . . . 0.0 112.818 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 37.5 m -84.77 -50.15 7.84 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-N 114.134 -1.394 . . . . 0.0 111.337 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.1 mmt85 -73.02 -100.95 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.85 0 CA-C-N 114.578 -1.192 . . . . 0.0 112.267 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.444 ' HB2' ' CD1' ' A' ' 27' ' ' TYR . 65.0 m -143.63 -178.08 5.72 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.4 t -112.55 106.7 15.21 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 123.847 0.717 . . . . 0.0 111.368 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.501 ' H ' ' HA ' ' A' ' 26' ' ' CYS . 0.6 OUTLIER . . . . . 0 N--CA 1.493 1.699 0 CA-C-N 114.876 -1.057 . . . . 0.0 108.509 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.417 ' HB2' HD21 ' A' ' 20' ' ' ASN . 60.3 m-85 . . . . . 0 N--CA 1.499 1.991 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.0 t -117.86 2.0 12.15 Favored 'General case' 0 N--CA 1.496 1.835 0 CA-C-N 114.585 -1.189 . . . . 0.0 109.268 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt 63.33 38.33 10.3 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 124.246 0.966 . . . . 0.0 111.396 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 -135.22 -164.9 1.6 Allowed 'General case' 0 N--CA 1.5 2.054 0 N-CA-C 106.189 -1.782 . . . . 0.0 106.189 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.501 ' HA ' ' H ' ' A' ' 20' ' ' ASN . 93.2 m -115.17 175.18 5.62 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 123.868 0.73 . . . . 0.0 112.212 179.482 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.444 ' CD1' ' HB2' ' A' ' 18' ' ' SER . 52.0 m-85 . . . . . 0 N--CA 1.498 1.935 0 CA-C-O 121.69 0.757 . . . . 0.0 113.03 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 30.0 p . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.488 ' N ' ' HD2' ' A' ' 2' ' ' LYS . 2.3 mptp? -132.12 113.37 13.24 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 105.188 -2.153 . . . . 0.0 105.188 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.8 m . . . . . 0 N--CA 1.5 2.06 0 N-CA-C 115.438 1.644 . . . . 0.0 115.438 -179.593 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.649 0 N-CA-C 114.077 0.391 . . . . 0.0 114.077 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.539 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 46.9 t -71.6 146.14 48.56 Favored 'General case' 0 N--CA 1.495 1.812 0 C-N-CA 119.962 -0.695 . . . . 0.0 109.231 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 59.5 m -66.35 131.28 45.74 Favored 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.4 t -136.74 171.33 14.66 Favored 'General case' 0 N--CA 1.495 1.81 0 CA-C-N 113.42 -1.718 . . . . 0.0 108.246 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 65.4 m . . . . . 0 N--CA 1.495 1.81 0 CA-C-O 118.417 -0.801 . . . . 0.0 109.158 -179.928 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 90.5 m . . . . . 0 N--CA 1.498 1.954 0 CA-C-O 121.963 0.887 . . . . 0.0 109.518 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.4 m -71.16 6.69 1.53 Allowed 'General case' 0 N--CA 1.499 2.004 0 CA-C-N 114.207 -1.36 . . . . 0.0 111.582 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 65.41 5.8 3.36 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 124.201 0.938 . . . . 0.0 111.37 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -83.11 -22.12 33.48 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.06 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.645 ' SG ' ' SG ' ' A' ' 19' ' ' CYS . 66.6 m -90.39 119.42 30.66 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 124.072 0.858 . . . . 0.0 113.196 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 77.9 m -73.45 -43.51 60.14 Favored 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 106.235 -1.765 . . . . 0.0 106.235 179.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.404 ' HA ' ' NE ' ' A' ' 17' ' ' ARG . 3.9 mmp_? -83.49 -83.47 0.14 Allowed 'General case' 0 N--CA 1.489 1.505 0 CA-C-N 113.686 -1.597 . . . . 0.0 108.437 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 67.9 m -156.83 170.33 22.73 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 123.748 0.655 . . . . 0.0 110.968 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.645 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 85.4 m -98.79 109.45 22.21 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 115.146 1.536 . . . . 0.0 115.146 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.462 HD21 ' HB2' ' A' ' 22' ' ' TYR . 1.2 t30 . . . . . 0 N--CA 1.492 1.654 0 CA-C-N 113.957 -1.474 . . . . 0.0 108.255 179.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.462 ' HB2' HD21 ' A' ' 20' ' ' ASN . 63.1 m-85 . . . . . 0 N--CA 1.498 1.963 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 79.4 p -142.87 11.08 1.81 Allowed 'General case' 0 N--CA 1.497 1.883 0 CA-C-N 114.961 -1.018 . . . . 0.0 109.355 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.5 ptmm? 50.41 30.48 4.62 Favored 'General case' 0 N--CA 1.502 2.162 0 C-N-CA 124.542 1.137 . . . . 0.0 112.948 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.4 mmt85 -117.47 -164.39 0.99 Allowed 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 106.01 -1.848 . . . . 0.0 106.01 179.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.539 ' SG ' ' HB3' ' A' ' 6' ' ' SER . 66.6 m -109.3 172.66 6.72 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 123.885 0.74 . . . . 0.0 109.276 179.587 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.427 ' CZ ' ' HA ' ' A' ' 20' ' ' ASN . 96.5 m-85 . . . . . 0 N--CA 1.497 1.877 0 CA-C-O 121.865 0.841 . . . . 0.0 109.562 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.8 p . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 15' ' ' CYS . 55.8 mtpt -124.45 114.55 19.62 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 105.571 -2.011 . . . . 0.0 105.571 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.5 m . . . . . 0 N--CA 1.498 1.969 0 N-CA-C 116.856 2.169 . . . . 0.0 116.856 -179.506 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.486 0 CA-C-O 119.384 -0.676 . . . . 0.0 114.497 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.633 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 38.5 t -74.4 124.28 26.22 Favored 'General case' 0 N--CA 1.497 1.903 0 C-N-CA 118.913 -1.115 . . . . 0.0 108.455 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 58.8 m -47.7 93.44 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.926 0 O-C-N 124.843 1.339 . . . . 0.0 114.386 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.659 ' SG ' ' HB2' ' A' ' 12' ' ' SER . 41.8 t -150.62 149.94 30.52 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-N 114.943 -1.026 . . . . 0.0 112.885 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.0 m . . . . . 0 N--CA 1.49 1.528 0 CA-C-N 112.738 -2.028 . . . . 0.0 106.37 179.828 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 71.0 p . . . . . 0 N--CA 1.503 2.196 0 N-CA-C 114.928 1.455 . . . . 0.0 114.928 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.659 ' HB2' ' SG ' ' A' ' 8' ' ' CYS . 66.9 m -60.1 -42.51 94.83 Favored 'General case' 0 N--CA 1.501 2.085 0 C-N-CA 119.977 -0.689 . . . . 0.0 110.834 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.43 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 25.0 m-85 48.27 14.82 0.06 Allowed 'General case' 0 N--CA 1.502 2.148 0 N-CA-C 116.407 2.002 . . . . 0.0 116.407 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 26.2 p30 -68.61 -9.79 51.98 Favored 'General case' 0 N--CA 1.503 2.179 0 C-N-CA 119.13 -1.028 . . . . 0.0 112.244 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.769 ' SG ' ' SG ' ' A' ' 19' ' ' CYS . 63.2 m -72.74 132.58 43.82 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 65.7 m -70.89 -45.99 63.37 Favored 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 105.743 -1.947 . . . . 0.0 105.743 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -86.87 -80.67 0.24 Allowed 'General case' 0 N--CA 1.496 1.841 0 CA-C-N 114.4 -1.273 . . . . 0.0 110.277 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 70.2 m -151.83 161.54 42.49 Favored 'General case' 0 N--CA 1.501 2.103 0 CA-C-O 121.548 0.689 . . . . 0.0 112.83 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.769 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 81.4 m -104.41 103.28 12.97 Favored 'General case' 0 N--CA 1.497 1.922 0 CA-C-N 113.536 -1.665 . . . . 0.0 112.41 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.46 HD21 ' HB2' ' A' ' 22' ' ' TYR . 0.5 OUTLIER . . . . . 0 N--CA 1.495 1.815 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.46 ' HB2' HD21 ' A' ' 20' ' ' ASN . 21.7 m-85 . . . . . 0 N--CA 1.499 2.024 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.9 t -78.38 -6.4 55.08 Favored 'General case' 0 N--CA 1.493 1.706 0 CA-C-N 114.84 -1.073 . . . . 0.0 108.869 179.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 58.8 tttm 60.34 31.3 20.36 Favored 'General case' 0 N--CA 1.493 1.704 0 CA-C-O 122.094 0.95 . . . . 0.0 109.463 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.405 ' HA ' ' H ' ' A' ' 8' ' ' CYS . 84.9 mtt85 -137.45 175.96 9.13 Favored 'General case' 0 N--CA 1.498 1.95 0 CA-C-N 114.417 -1.265 . . . . 0.0 108.643 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.633 ' SG ' ' HB3' ' A' ' 6' ' ' SER . 59.6 m -79.74 163.28 24.61 Favored 'General case' 0 N--CA 1.497 1.915 0 C-N-CA 119.805 -0.758 . . . . 0.0 110.859 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 . . . . . 0 N--CA 1.498 1.951 0 CA-C-O 121.844 0.83 . . . . 0.0 109.538 179.872 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.4 p . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.586 ' HA ' ' HE2' ' A' ' 2' ' ' LYS . 7.9 mmpt? -109.19 114.99 29.17 Favored 'General case' 0 N--CA 1.5 2.03 0 N-CA-C 104.356 -2.461 . . . . 0.0 104.356 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.2 m . . . . . 0 N--CA 1.496 1.852 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 -179.659 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.539 0 CA-C-O 119.734 -0.481 . . . . 0.0 113.685 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.533 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 46.6 t -78.34 133.84 37.54 Favored 'General case' 0 N--CA 1.497 1.895 0 C-N-CA 119.825 -0.75 . . . . 0.0 109.853 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 78.9 p -51.3 128.84 23.41 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 124.307 1.004 . . . . 0.0 111.082 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 27.8 p -149.1 172.03 15.45 Favored 'General case' 0 N--CA 1.493 1.709 0 CA-C-N 114.534 -1.212 . . . . 0.0 109.853 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.0 m . . . . . 0 N--CA 1.494 1.725 0 N-CA-C 105.855 -1.906 . . . . 0.0 105.855 179.933 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.9 t . . . . . 0 N--CA 1.494 1.742 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.44 ' HB3' HD22 ' A' ' 14' ' ' ASN . 50.7 m -70.03 -38.88 75.98 Favored 'General case' 0 N--CA 1.503 2.185 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 59.79 3.51 0.47 Allowed 'General case' 0 N--CA 1.501 2.119 0 N-CA-C 115.81 1.781 . . . . 0.0 115.81 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.44 HD22 ' HB3' ' A' ' 12' ' ' SER . 10.3 p30 -63.64 -27.65 69.38 Favored 'General case' 0 N--CA 1.502 2.174 0 C-N-CA 119.672 -0.811 . . . . 0.0 110.826 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 2' ' ' LYS . 76.8 m -65.4 110.35 2.62 Favored 'General case' 0 N--CA 1.49 1.533 0 CA-C-N 114.889 -1.05 . . . . 0.0 111.392 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 61.2 m -58.72 -42.96 89.9 Favored 'General case' 0 N--CA 1.502 2.132 0 N-CA-C 105.724 -1.954 . . . . 0.0 105.724 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 59.4 ttm-85 -80.99 -93.62 0.05 OUTLIER 'General case' 0 N--CA 1.487 1.396 0 CA-C-N 112.58 -2.1 . . . . 0.0 110.058 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.8 m -151.79 164.92 36.0 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 123.669 0.605 . . . . 0.0 110.487 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 50.8 t -98.66 103.39 15.33 Favored 'General case' 0 N--CA 1.494 1.731 0 CA-C-N 114.968 -1.015 . . . . 0.0 112.389 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.44 HD21 ' HB2' ' A' ' 22' ' ' TYR . 0.6 OUTLIER . . . . . 0 N--CA 1.495 1.801 0 CA-C-N 114.727 -1.124 . . . . 0.0 108.491 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.44 ' HB2' HD21 ' A' ' 20' ' ' ASN . 58.7 m-85 . . . . . 0 N--CA 1.501 2.091 0 CA-C-O 120.708 0.289 . . . . 0.0 111.6 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.6 t -153.24 -0.07 0.25 Allowed 'General case' 0 N--CA 1.495 1.813 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.955 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 96.1 mttt 62.58 37.98 12.68 Favored 'General case' 0 N--CA 1.501 2.077 0 CA-C-O 121.746 0.784 . . . . 0.0 110.853 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -139.66 -178.69 5.52 Favored 'General case' 0 N--CA 1.501 2.12 0 N-CA-C 106.411 -1.7 . . . . 0.0 106.411 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.533 ' SG ' ' HB3' ' A' ' 6' ' ' SER . 49.6 m -86.61 172.0 10.59 Favored 'General case' 0 N--CA 1.496 1.854 0 C-N-CA 119.526 -0.869 . . . . 0.0 109.789 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 . . . . . 0 N--CA 1.506 2.355 0 CA-C-O 121.73 0.776 . . . . 0.0 112.713 -179.992 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 24.4 p . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 121.702 0.763 . . . . 0.0 111.346 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.478 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 54.8 mttp -88.49 -167.51 1.9 Allowed 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 105.722 -1.955 . . . . 0.0 105.722 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.2 m . . . . . 0 N--CA 1.501 2.11 0 CA-C-O 118.333 -0.842 . . . . 0.0 111.28 179.646 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.836 0 N-CA-C 113.859 0.304 . . . . 0.0 113.859 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.672 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 59.0 m -78.38 146.05 34.84 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 77.4 p -57.01 90.75 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 116.196 1.925 . . . . 0.0 116.196 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.594 ' SG ' ' HB2' ' A' ' 12' ' ' SER . 43.8 t -150.69 139.94 21.27 Favored 'General case' 0 N--CA 1.499 1.996 0 CA-C-N 114.774 -1.103 . . . . 0.0 108.856 179.603 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.8 m . . . . . 0 N--CA 1.494 1.738 0 O-C-N 124.026 0.829 . . . . 0.0 111.883 179.864 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 76.0 p . . . . . 0 N--CA 1.487 1.38 0 N-CA-C 107.853 -1.166 . . . . 0.0 107.853 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.594 ' HB2' ' SG ' ' A' ' 8' ' ' CYS . 48.5 m -59.07 -18.6 36.6 Favored 'General case' 0 N--CA 1.505 2.321 0 C-N-CA 120.055 -0.658 . . . . 0.0 111.243 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 56.47 10.1 0.63 Allowed 'General case' 0 N--CA 1.5 2.061 0 N-CA-C 115.013 1.486 . . . . 0.0 115.013 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -63.63 -55.92 19.86 Favored 'General case' 0 N--CA 1.496 1.844 0 C-N-CA 119.694 -0.802 . . . . 0.0 110.093 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.672 ' SG ' ' HB2' ' A' ' 6' ' ' SER . 81.0 m -84.82 121.17 27.33 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 124.562 1.164 . . . . 0.0 113.618 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.7 m -68.3 -24.65 64.88 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 124.344 1.027 . . . . 0.0 111.771 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 64.9 ttt-85 -77.09 -85.82 0.06 Allowed 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 119.733 -0.787 . . . . 0.0 109.887 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 63.7 m -151.52 160.09 43.85 Favored 'General case' 0 N--CA 1.504 2.25 0 O-C-N 123.221 0.326 . . . . 0.0 111.193 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 87.2 m -118.92 103.7 9.84 Favored 'General case' 0 N--CA 1.501 2.12 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.446 HD21 ' HB2' ' A' ' 22' ' ' TYR . 2.1 t30 . . . . . 0 N--CA 1.496 1.837 0 CA-C-N 113.582 -1.644 . . . . 0.0 111.268 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.446 ' HB2' HD21 ' A' ' 20' ' ' ASN . 22.3 m-85 . . . . . 0 N--CA 1.499 1.979 0 CA-C-O 120.722 0.296 . . . . 0.0 110.7 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 82.2 p -142.27 -2.57 1.11 Allowed 'General case' 0 N--CA 1.499 2.011 0 CA-C-N 115.197 -0.91 . . . . 0.0 108.736 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt 66.25 26.41 10.42 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 124.674 1.234 . . . . 0.0 110.876 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -117.73 -172.27 2.21 Favored 'General case' 0 N--CA 1.498 1.954 0 CA-C-N 113.952 -1.476 . . . . 0.0 107.555 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.588 ' SG ' ' HB3' ' A' ' 8' ' ' CYS . 84.5 m -105.32 170.44 7.88 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 179.49 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.404 ' CE2' ' HA ' ' A' ' 20' ' ' ASN . 96.5 m-85 . . . . . 0 N--CA 1.499 1.986 0 CA-C-O 121.828 0.823 . . . . 0.0 110.415 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.406 ' C ' ' HD2' ' A' ' 2' ' ' LYS . 28.7 p . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.438 0.637 . . . . 0.0 109.679 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.471 ' N ' ' HD2' ' A' ' 2' ' ' LYS . 9.6 mptt -128.92 -173.2 2.91 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 106.434 -1.691 . . . . 0.0 106.434 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.1 m . . . . . 0 N--CA 1.501 2.081 0 CA-C-O 118.961 -0.542 . . . . 0.0 111.712 179.92 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 3.034 0 N-CA-C 119.314 2.486 . . . . 0.0 119.314 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.693 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 32.2 t -81.42 122.36 27.4 Favored 'General case' 0 N--CA 1.505 2.325 0 CA-C-N 119.723 1.761 . . . . 0.0 109.468 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 74.2 p -50.72 98.33 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.776 0 O-C-N 125.036 1.46 . . . . 0.0 114.366 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.866 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 24.5 p -150.29 153.15 35.63 Favored 'General case' 0 N--CA 1.493 1.706 0 CA-C-N 114.253 -1.34 . . . . 0.0 110.183 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 73.3 m . . . . . 0 N--CA 1.493 1.698 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 -179.801 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.5 p . . . . . 0 N--CA 1.497 1.882 0 N-CA-C 114.367 1.247 . . . . 0.0 114.367 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.498 ' HB2' ' HB2' ' A' ' 8' ' ' CYS . 64.7 m -59.05 -47.14 86.33 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 123.668 0.605 . . . . 0.0 110.444 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 51.36 16.75 0.44 Allowed 'General case' 0 N--CA 1.504 2.249 0 N-CA-C 115.13 1.53 . . . . 0.0 115.13 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 35.7 p30 -74.16 1.85 10.31 Favored 'General case' 0 N--CA 1.5 2.049 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.866 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 38.5 m -115.7 126.87 54.66 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 123.881 0.738 . . . . 0.0 110.12 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 63.1 m -72.95 -23.92 60.74 Favored 'General case' 0 N--CA 1.501 2.092 0 C-N-CA 118.483 -1.287 . . . . 0.0 108.875 179.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 57.2 ttt-85 -81.25 -102.1 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 58.8 m -153.65 172.43 17.26 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 71.7 m -117.94 115.04 24.11 Favored 'General case' 0 N--CA 1.497 1.922 0 N-CA-C 114.852 1.427 . . . . 0.0 114.852 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.607 HD22 ' H ' ' A' ' 23' ' ' THR . 1.8 t30 . . . . . 0 N--CA 1.489 1.508 0 CA-C-N 112.877 -1.965 . . . . 0.0 108.288 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.504 ' HB2' HD21 ' A' ' 20' ' ' ASN . 31.3 m-85 . . . . . 0 N--CA 1.5 2.031 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.607 ' H ' HD22 ' A' ' 20' ' ' ASN . 77.4 p -109.0 -15.92 14.25 Favored 'General case' 0 N--CA 1.496 1.855 0 CA-C-N 114.281 -1.327 . . . . 0.0 110.299 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.51 ' HD2' ' N ' ' A' ' 24' ' ' LYS . 10.8 mptt 62.43 38.34 12.88 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 124.73 1.269 . . . . 0.0 108.895 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 48.5 mtm180 -141.86 173.46 11.49 Favored 'General case' 0 N--CA 1.501 2.088 0 CA-C-N 113.94 -1.482 . . . . 0.0 108.878 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.693 ' SG ' ' HB3' ' A' ' 6' ' ' SER . 47.5 m -65.89 156.39 33.55 Favored 'General case' 0 N--CA 1.506 2.371 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 179.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 . . . . . 0 N--CA 1.506 2.35 0 C-N-CA 118.388 -1.325 . . . . 0.0 109.854 179.596 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.4 p . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.458 ' HB3' ' CB ' ' A' ' 6' ' ' SER . 75.8 mmtt -133.92 97.83 3.99 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 123.636 0.585 . . . . 0.0 111.277 -179.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.1 m . . . . . 0 N--CA 1.497 1.92 0 N-CA-C 114.314 1.227 . . . . 0.0 114.314 -179.741 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.561 0 CA-C-O 120.166 -0.241 . . . . 0.0 113.142 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.596 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 50.1 m -71.42 -162.43 0.08 Allowed 'General case' 0 N--CA 1.493 1.689 0 CA-C-O 118.806 -0.616 . . . . 0.0 109.771 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 57.0 m -104.2 91.92 4.14 Favored 'General case' 0 N--CA 1.504 2.272 0 N-CA-C 114.782 1.401 . . . . 0.0 114.782 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.502 ' SG ' ' HB2' ' A' ' 12' ' ' SER . 51.5 t -151.98 126.24 9.29 Favored 'General case' 0 N--CA 1.499 1.984 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.793 179.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.0 m . . . . . 0 N--CA 1.493 1.701 0 O-C-N 123.981 0.801 . . . . 0.0 112.945 179.95 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 N--CA 1.485 1.294 0 N-CA-C 106.258 -1.756 . . . . 0.0 106.258 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.502 ' HB2' ' SG ' ' A' ' 8' ' ' CYS . 50.0 m -53.82 -14.3 0.93 Allowed 'General case' 0 N--CA 1.505 2.308 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 63.65 0.07 0.82 Allowed 'General case' 0 N--CA 1.501 2.116 0 N-CA-C 115.213 1.56 . . . . 0.0 115.213 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.5 p30 -64.77 -19.74 65.98 Favored 'General case' 0 N--CA 1.499 2.02 0 C-N-CA 119.439 -0.904 . . . . 0.0 110.2 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.719 ' SG ' ' SG ' ' A' ' 19' ' ' CYS . 67.8 m -74.4 159.61 32.1 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 123.935 0.772 . . . . 0.0 109.357 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 63.3 m -79.35 -44.28 21.85 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.2 mmt85 -96.67 -82.65 0.4 Allowed 'General case' 0 N--CA 1.492 1.644 0 CA-C-N 114.283 -1.326 . . . . 0.0 109.773 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 70.3 m -149.41 169.25 21.29 Favored 'General case' 0 N--CA 1.499 2.016 0 CA-C-O 121.488 0.661 . . . . 0.0 112.383 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.719 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 72.3 m -107.5 102.12 11.41 Favored 'General case' 0 N--CA 1.496 1.862 0 CA-C-N 113.513 -1.676 . . . . 0.0 112.72 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.503 HD21 ' HB2' ' A' ' 22' ' ' TYR . 0.5 OUTLIER . . . . . 0 N--CA 1.494 1.757 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.503 ' HB2' HD21 ' A' ' 20' ' ' ASN . 15.6 m-85 . . . . . 0 N--CA 1.499 2.015 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.8 t -105.57 -4.57 21.01 Favored 'General case' 0 N--CA 1.493 1.71 0 CA-C-N 114.092 -1.413 . . . . 0.0 108.264 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.5 ' HD2' ' N ' ' A' ' 24' ' ' LYS . 0.4 OUTLIER 65.26 29.39 11.71 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 124.79 1.306 . . . . 0.0 113.262 179.815 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 71.3 mtm180 -123.43 175.21 6.88 Favored 'General case' 0 N--CA 1.495 1.804 0 CA-C-N 113.789 -1.55 . . . . 0.0 108.186 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.596 ' SG ' ' HB2' ' A' ' 6' ' ' SER . 80.0 m -86.21 178.77 7.08 Favored 'General case' 0 N--CA 1.502 2.167 0 C-N-CA 119.258 -0.977 . . . . 0.0 109.255 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 . . . . . 0 N--CA 1.502 2.169 0 CA-C-O 121.612 0.72 . . . . 0.0 110.893 179.906 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.4 p . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.464 ' HB3' ' CB ' ' A' ' 6' ' ' SER . 47.7 mmtm -135.64 99.23 4.14 Favored 'General case' 0 N--CA 1.502 2.175 0 O-C-N 123.614 0.571 . . . . 0.0 111.277 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.5 m . . . . . 0 N--CA 1.496 1.87 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 -179.739 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.361 0 N-CA-C 115.477 0.951 . . . . 0.0 115.477 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.572 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 44.6 t -84.97 127.4 34.17 Favored 'General case' 0 N--CA 1.498 1.929 0 C-N-CA 119.035 -1.066 . . . . 0.0 109.685 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 68.9 m -34.93 84.72 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.155 0 N-CA-C 116.905 2.187 . . . . 0.0 116.905 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.589 ' SG ' ' HB2' ' A' ' 12' ' ' SER . 53.8 t -152.15 154.76 36.49 Favored 'General case' 0 N--CA 1.498 1.943 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.118 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.9 m . . . . . 0 N--CA 1.494 1.731 0 N-CA-C 115.632 1.716 . . . . 0.0 115.632 -179.92 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 86.1 m . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 106.516 -1.661 . . . . 0.0 106.516 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.589 ' HB2' ' SG ' ' A' ' 8' ' ' CYS . 53.1 m -62.65 -19.87 64.24 Favored 'General case' 0 N--CA 1.503 2.199 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 58.17 2.91 0.21 Allowed 'General case' 0 N--CA 1.505 2.301 0 N-CA-C 114.967 1.469 . . . . 0.0 114.967 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 28.3 p30 -62.74 -15.62 53.95 Favored 'General case' 0 N--CA 1.499 1.978 0 C-N-CA 120.234 -0.586 . . . . 0.0 111.648 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.712 ' SG ' ' SG ' ' A' ' 19' ' ' CYS . 64.6 m -84.08 159.26 21.18 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.192 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 61.6 m -81.22 -50.53 9.45 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 105.71 -1.959 . . . . 0.0 105.71 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.5 tpt180 -82.29 -85.31 0.11 Allowed 'General case' 0 N--CA 1.491 1.578 0 CA-C-N 114.03 -1.441 . . . . 0.0 107.967 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 71.1 m -155.51 170.53 21.74 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 123.994 0.808 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.712 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 85.9 m -104.84 100.27 9.9 Favored 'General case' 0 N--CA 1.496 1.844 0 CA-C-N 113.736 -1.575 . . . . 0.0 110.547 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.646 HD22 ' H ' ' A' ' 23' ' ' THR . 0.9 OUTLIER . . . . . 0 N--CA 1.494 1.775 0 CA-C-N 114.979 -1.009 . . . . 0.0 108.7 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.438 ' HB2' HD21 ' A' ' 20' ' ' ASN . 63.3 m-85 . . . . . 0 N--CA 1.499 2.019 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.646 ' H ' HD22 ' A' ' 20' ' ' ASN . 66.8 p -93.08 -9.67 38.77 Favored 'General case' 0 N--CA 1.494 1.761 0 CA-C-N 114.083 -1.417 . . . . 0.0 108.897 179.716 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.24 30.59 19.98 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 105.87 -1.9 . . . . 0.0 105.87 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.498 ' HA ' ' H ' ' A' ' 8' ' ' CYS . 90.2 mtt-85 -139.65 172.79 12.28 Favored 'General case' 0 N--CA 1.496 1.871 0 CA-C-N 113.683 -1.599 . . . . 0.0 110.298 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.572 ' SG ' ' HB3' ' A' ' 6' ' ' SER . 64.5 m -80.75 -176.93 6.08 Favored 'General case' 0 N--CA 1.5 2.07 0 C-N-CA 119.986 -0.685 . . . . 0.0 111.538 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 . . . . . 0 N--CA 1.497 1.875 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.159 179.971 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.6 p . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -131.2 111.27 11.78 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 123.856 0.723 . . . . 0.0 110.592 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.8 m . . . . . 0 N--CA 1.495 1.781 0 CA-C-O 117.435 -1.269 . . . . 0.0 113.448 -179.88 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 3.049 0 N-CA-C 117.612 1.805 . . . . 0.0 117.612 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.608 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 47.7 t -66.5 113.15 4.5 Favored 'General case' 0 N--CA 1.498 1.973 0 C-N-CA 118.85 -1.14 . . . . 0.0 109.405 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 74.5 p -51.84 95.6 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.804 0 O-C-N 125.146 1.529 . . . . 0.0 113.439 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.823 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 31.6 p -150.76 164.36 36.38 Favored 'General case' 0 N--CA 1.491 1.606 0 CA-C-N 114.526 -1.215 . . . . 0.0 111.038 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.7 m . . . . . 0 N--CA 1.492 1.636 0 CA-C-N 114.275 -1.33 . . . . 0.0 109.364 179.922 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.6 t . . . . . 0 N--CA 1.498 1.938 0 CA-C-O 120.642 0.258 . . . . 0.0 111.624 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.1 m -58.29 -50.62 72.97 Favored 'General case' 0 N--CA 1.498 1.933 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.655 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 59.76 8.41 1.33 Allowed 'General case' 0 N--CA 1.502 2.137 0 O-C-N 124.709 1.255 . . . . 0.0 112.895 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 47.3 p30 -71.46 -4.17 25.11 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.823 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 61.5 m -87.06 156.95 19.53 Favored 'General case' 0 N--CA 1.493 1.679 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.63 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 60.5 m -76.72 -40.72 47.68 Favored 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 104.251 -2.5 . . . . 0.0 104.251 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 25.4 tpt180 -90.82 -93.8 0.13 Allowed 'General case' 0 N--CA 1.49 1.559 0 CA-C-N 113.244 -1.798 . . . . 0.0 106.772 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.9 m -157.07 179.25 9.47 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 123.767 0.667 . . . . 0.0 109.462 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.623 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 98.2 m -107.6 103.2 12.45 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 123.991 0.807 . . . . 0.0 111.703 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.418 HD21 ' HB2' ' A' ' 22' ' ' TYR . 2.8 t30 . . . . . 0 N--CA 1.497 1.885 0 CA-C-N 114.81 -1.087 . . . . 0.0 110.398 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.418 ' HB2' HD21 ' A' ' 20' ' ' ASN . 19.1 m-85 . . . . . 0 N--CA 1.5 2.033 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.0 t -105.63 -10.79 16.62 Favored 'General case' 0 N--CA 1.492 1.656 0 CA-C-N 114.258 -1.337 . . . . 0.0 108.812 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 60.8 mttp 61.47 45.76 8.1 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 124.564 1.165 . . . . 0.0 110.098 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 90.9 mtt-85 -142.67 162.45 35.44 Favored 'General case' 0 N--CA 1.498 1.973 0 CA-C-N 113.248 -1.797 . . . . 0.0 107.319 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.608 ' SG ' ' HB3' ' A' ' 6' ' ' SER . 69.2 m -63.36 153.52 34.78 Favored 'General case' 0 N--CA 1.5 2.056 0 C-N-CA 119.568 -0.853 . . . . 0.0 111.533 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 . . . . . 0 N--CA 1.502 2.154 0 CA-C-O 122.126 0.965 . . . . 0.0 111.182 179.887 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 32.0 p . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -118.44 118.97 33.18 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 106.338 -1.727 . . . . 0.0 106.338 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.0 m . . . . . 0 N--CA 1.498 1.945 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 -179.75 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.705 0 CA-C-O 120.319 -0.156 . . . . 0.0 113.26 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.407 ' OG ' ' SG ' ' A' ' 26' ' ' CYS . 61.6 p -88.15 126.71 35.27 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-O 121.275 0.56 . . . . 0.0 110.271 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 52.7 m -43.24 128.65 4.73 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 115.368 1.618 . . . . 0.0 115.368 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 40.7 t -147.34 144.73 28.97 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-N 113.619 -1.628 . . . . 0.0 109.442 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.8 m . . . . . 0 N--CA 1.493 1.709 0 N-CA-C 107.667 -1.235 . . . . 0.0 107.667 -179.88 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.8 p . . . . . 0 N--CA 1.496 1.853 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 64.0 m -76.9 -35.1 57.62 Favored 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 55.96 13.36 1.11 Allowed 'General case' 0 N--CA 1.501 2.105 0 O-C-N 124.661 1.226 . . . . 0.0 113.609 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -76.36 -41.08 49.32 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.415 ' SG ' ' HA ' ' A' ' 19' ' ' CYS . 63.8 m -51.63 107.94 0.23 Allowed 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 63.3 m -66.19 -45.44 80.82 Favored 'General case' 0 N--CA 1.5 2.07 0 N-CA-C 105.546 -2.02 . . . . 0.0 105.546 179.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.1 tpp180 -83.34 -86.38 0.11 Allowed 'General case' 0 N--CA 1.491 1.598 0 CA-C-N 113.313 -1.767 . . . . 0.0 109.698 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 69.9 m -150.1 167.47 26.71 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 123.741 0.651 . . . . 0.0 111.117 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.415 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 51.8 t -97.21 109.88 22.54 Favored 'General case' 0 N--CA 1.497 1.903 0 CA-C-N 114.332 -1.303 . . . . 0.0 111.34 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.468 HD22 ' C ' ' A' ' 20' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.496 1.845 0 O-C-N 124.521 1.138 . . . . 0.0 108.002 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.417 ' HB2' HD21 ' A' ' 20' ' ' ASN . 20.3 m-85 . . . . . 0 N--CA 1.496 1.859 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.419 HG23 ' HE ' ' A' ' 25' ' ' ARG . 9.7 t -119.13 -2.76 10.68 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-N 114.146 -1.388 . . . . 0.0 110.451 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 60.0 mttp 75.13 19.05 2.36 Favored 'General case' 0 N--CA 1.506 2.329 0 N-CA-C 115.738 1.755 . . . . 0.0 115.738 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.419 ' HE ' HG23 ' A' ' 23' ' ' THR . 1.9 mpp_? -130.0 -168.22 1.93 Allowed 'General case' 0 N--CA 1.504 2.255 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 179.484 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.407 ' SG ' ' OG ' ' A' ' 6' ' ' SER . 63.0 m -95.44 168.15 10.88 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 . . . . . 0 N--CA 1.496 1.872 0 CA-C-O 121.877 0.846 . . . . 0.0 110.022 179.864 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 22.7 p . . . . . 0 N--CA 1.489 1.482 0 CA-C-O 121.352 0.596 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -89.12 -159.01 0.53 Allowed 'General case' 0 N--CA 1.5 2.071 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.6 m . . . . . 0 N--CA 1.502 2.161 0 CA-C-O 118.001 -0.999 . . . . 0.0 111.822 179.502 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.79 0 N-CA-C 112.92 -0.072 . . . . 0.0 112.92 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.465 ' OG ' ' SG ' ' A' ' 15' ' ' CYS . 53.8 p -81.76 127.82 33.36 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 51.1 m -50.38 133.65 24.15 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 114.363 1.246 . . . . 0.0 114.363 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 27.4 p -150.38 -172.63 4.23 Favored 'General case' 0 N--CA 1.496 1.839 0 CA-C-N 113.755 -1.566 . . . . 0.0 107.571 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.2 m . . . . . 0 N--CA 1.501 2.099 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 -179.906 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 86.9 m . . . . . 0 N--CA 1.494 1.773 0 N-CA-C 105.37 -2.085 . . . . 0.0 105.37 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.2 m -66.87 -3.77 7.73 Favored 'General case' 0 N--CA 1.497 1.919 0 CA-C-N 114.044 -1.434 . . . . 0.0 112.9 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 59.16 9.86 1.47 Allowed 'General case' 0 N--CA 1.503 2.219 0 O-C-N 123.947 0.779 . . . . 0.0 112.618 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.617 ' H ' HD22 ' A' ' 14' ' ' ASN . 1.0 OUTLIER -60.42 -26.44 66.7 Favored 'General case' 0 N--CA 1.497 1.914 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.797 179.903 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.465 ' SG ' ' OG ' ' A' ' 6' ' ' SER . 77.1 m -107.01 175.91 5.35 Favored 'General case' 0 N--CA 1.489 1.496 0 CA-C-N 114.475 -1.239 . . . . 0.0 111.528 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.9 m -90.56 -46.94 7.99 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-N 113.221 -1.809 . . . . 0.0 107.886 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -75.09 -103.51 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 CA-C-N 114.115 -1.402 . . . . 0.0 111.517 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 68.5 m -152.61 176.23 11.95 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 123.686 0.616 . . . . 0.0 110.217 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.4 t -101.61 105.86 16.85 Favored 'General case' 0 N--CA 1.493 1.702 0 CA-C-N 114.778 -1.101 . . . . 0.0 113.734 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.409 HD21 ' HB2' ' A' ' 22' ' ' TYR . 2.4 t30 . . . . . 0 N--CA 1.493 1.678 0 N-CA-C 106.972 -1.492 . . . . 0.0 106.972 179.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.409 ' HB2' HD21 ' A' ' 20' ' ' ASN . 23.5 m-85 . . . . . 0 N--CA 1.495 1.785 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 76.7 p -114.89 -5.72 12.59 Favored 'General case' 0 N--CA 1.494 1.75 0 CA-C-N 114.143 -1.39 . . . . 0.0 109.734 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.538 ' HD2' ' N ' ' A' ' 24' ' ' LYS . 11.0 mptt 63.47 28.59 15.41 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 124.525 1.14 . . . . 0.0 110.571 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 62.0 mtm180 -129.86 175.93 8.45 Favored 'General case' 0 N--CA 1.5 2.045 0 N-CA-C 105.196 -2.15 . . . . 0.0 105.196 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.4 ' HA ' ' H ' ' A' ' 20' ' ' ASN . 72.6 m -91.96 170.18 10.06 Favored 'General case' 0 N--CA 1.499 2.003 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 . . . . . 0 N--CA 1.499 2.015 0 CA-C-O 122.258 1.028 . . . . 0.0 113.164 -179.725 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.4 p . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -142.93 104.8 4.37 Favored 'General case' 0 N--CA 1.504 2.25 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.0 m . . . . . 0 N--CA 1.496 1.834 0 CA-C-O 117.624 -1.179 . . . . 0.0 113.213 -179.988 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.763 0 N-CA-C 117.232 1.653 . . . . 0.0 117.232 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.623 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 44.4 t -76.25 135.06 39.66 Favored 'General case' 0 N--CA 1.5 2.069 0 C-N-CA 118.286 -1.365 . . . . 0.0 109.024 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 55.6 m -54.76 92.84 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.737 0 O-C-N 125.198 1.561 . . . . 0.0 115.184 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.639 ' SG ' ' HB2' ' A' ' 12' ' ' SER . 53.2 t -150.39 143.89 25.12 Favored 'General case' 0 N--CA 1.494 1.737 0 CA-C-N 114.896 -1.047 . . . . 0.0 108.737 179.533 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.3 m . . . . . 0 N--CA 1.492 1.667 0 O-C-N 124.117 0.886 . . . . 0.0 112.027 179.931 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 74.4 p . . . . . 0 N--CA 1.488 1.465 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.639 ' HB2' ' SG ' ' A' ' 8' ' ' CYS . 57.2 m -66.46 -26.71 67.33 Favored 'General case' 0 N--CA 1.504 2.235 0 C-N-CA 119.144 -1.022 . . . . 0.0 108.642 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 44.38 19.56 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.058 0 N-CA-C 117.939 2.57 . . . . 0.0 117.939 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 24.0 p30 -72.79 1.0 9.37 Favored 'General case' 0 N--CA 1.501 2.115 0 C-N-CA 118.928 -1.109 . . . . 0.0 110.797 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.598 ' SG ' ' SG ' ' A' ' 19' ' ' CYS . 57.7 m -89.38 156.39 18.72 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 123.843 0.715 . . . . 0.0 111.438 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 65.2 m -86.36 -49.61 7.52 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 105.711 -1.959 . . . . 0.0 105.711 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 57.2 ttt85 -81.96 -85.4 0.11 Allowed 'General case' 0 N--CA 1.49 1.561 0 CA-C-N 113.591 -1.64 . . . . 0.0 109.351 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.432 ' HB2' ' CD1' ' A' ' 27' ' ' TYR . 69.2 m -150.14 169.63 20.84 Favored 'General case' 0 N--CA 1.495 1.793 0 CA-C-O 121.656 0.741 . . . . 0.0 111.574 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.598 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 92.4 m -104.28 99.1 8.81 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-N 113.415 -1.72 . . . . 0.0 112.115 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.43 HD21 ' HB2' ' A' ' 22' ' ' TYR . 1.6 t30 . . . . . 0 N--CA 1.495 1.795 0 CA-C-N 113.986 -1.461 . . . . 0.0 109.776 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.43 ' HB2' HD21 ' A' ' 20' ' ' ASN . 84.3 m-85 . . . . . 0 N--CA 1.499 2.0 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.443 ' O ' ' HB2' ' A' ' 24' ' ' LYS . 71.5 p -118.2 -12.61 9.96 Favored 'General case' 0 N--CA 1.499 1.995 0 CA-C-N 114.501 -1.227 . . . . 0.0 109.41 179.747 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.604 ' HE2' ' N ' ' A' ' 24' ' ' LYS . 0.1 OUTLIER 83.69 16.13 0.27 Allowed 'General case' 0 N--CA 1.501 2.087 0 C-N-CA 126.161 1.785 . . . . 0.0 111.274 -179.782 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.418 ' HD2' ' C ' ' A' ' 24' ' ' LYS . 4.7 mpt_? -119.19 -168.64 1.6 Allowed 'General case' 0 N--CA 1.502 2.143 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.678 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.623 ' SG ' ' HB3' ' A' ' 6' ' ' SER . 70.1 m -93.67 165.15 12.85 Favored 'General case' 0 N--CA 1.498 1.974 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 179.578 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.432 ' CD1' ' HB2' ' A' ' 18' ' ' SER . 46.3 m-85 . . . . . 0 N--CA 1.499 2.002 0 C-N-CA 119.577 -0.849 . . . . 0.0 110.146 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.1 p . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.908 0.861 . . . . 0.0 110.059 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.617 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 14.3 mmmm -104.29 179.38 4.29 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 104.304 -2.48 . . . . 0.0 104.304 179.433 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.9 m . . . . . 0 N--CA 1.502 2.125 0 CA-C-O 118.239 -0.886 . . . . 0.0 112.539 179.81 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.437 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.7 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 31.9 t -84.21 117.55 23.59 Favored 'General case' 0 N--CA 1.502 2.125 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 77.3 p -43.9 83.57 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.131 0 N-CA-C 116.957 2.206 . . . . 0.0 116.957 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.805 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 30.6 p -151.81 170.43 19.81 Favored 'General case' 0 N--CA 1.497 1.893 0 CA-C-N 115.326 -0.852 . . . . 0.0 112.156 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.3 m . . . . . 0 N--CA 1.493 1.692 0 CA-C-N 114.594 -1.185 . . . . 0.0 113.127 179.749 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 76.2 p . . . . . 0 N--CA 1.492 1.647 0 N-CA-C 110.394 -0.224 . . . . 0.0 110.394 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.6 m -59.98 -49.72 76.58 Favored 'General case' 0 N--CA 1.501 2.101 0 C-N-CA 119.925 -0.71 . . . . 0.0 110.256 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 55.59 15.9 1.69 Allowed 'General case' 0 N--CA 1.501 2.1 0 N-CA-C 114.551 1.315 . . . . 0.0 114.551 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.467 ' H ' HD22 ' A' ' 14' ' ' ASN . 3.3 p30 -64.33 -31.1 72.16 Favored 'General case' 0 N--CA 1.502 2.154 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.989 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.7 ' SG ' ' HB3' ' A' ' 6' ' ' SER . 79.1 m -93.44 142.69 27.04 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 123.859 0.724 . . . . 0.0 110.113 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 64.5 m -72.03 -15.78 62.04 Favored 'General case' 0 N--CA 1.496 1.828 0 C-N-CA 119.627 -0.829 . . . . 0.0 109.766 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.7 mmt85 -88.06 -108.98 0.07 Allowed 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 107.281 -1.378 . . . . 0.0 107.281 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.6 m -151.8 165.47 34.36 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 123.264 0.352 . . . . 0.0 110.248 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 97.7 m -104.88 102.23 11.78 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 124.382 1.051 . . . . 0.0 112.371 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.506 HD22 ' H ' ' A' ' 23' ' ' THR . 10.4 t30 . . . . . 0 N--CA 1.497 1.886 0 CA-C-N 114.805 -1.089 . . . . 0.0 109.96 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.495 ' HB2' HD21 ' A' ' 20' ' ' ASN . 19.4 m-85 . . . . . 0 N--CA 1.499 2.021 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.506 ' H ' HD22 ' A' ' 20' ' ' ASN . 67.1 p -95.02 -9.87 32.56 Favored 'General case' 0 N--CA 1.494 1.735 0 CA-C-N 114.2 -1.364 . . . . 0.0 110.615 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.2 tttp 61.44 35.73 17.58 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 107.342 -1.355 . . . . 0.0 107.342 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 43.0 mtm105 -142.42 161.89 36.87 Favored 'General case' 0 N--CA 1.5 2.045 0 CA-C-N 113.991 -1.458 . . . . 0.0 108.453 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.805 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 80.7 m -72.82 169.28 17.11 Favored 'General case' 0 N--CA 1.496 1.838 0 C-N-CA 119.453 -0.899 . . . . 0.0 111.887 179.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 . . . . . 0 N--CA 1.498 1.929 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.409 179.984 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 30.1 p . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.514 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 65.9 mttm -150.79 -161.81 1.42 Allowed 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 103.885 -2.635 . . . . 0.0 103.885 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.2 m . . . . . 0 N--CA 1.504 2.242 0 N-CA-C 113.326 0.862 . . . . 0.0 113.326 179.622 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.732 0 N-CA-C 114.279 0.472 . . . . 0.0 114.279 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.565 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 39.0 t -81.31 139.71 35.23 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 77.4 p -45.36 84.09 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.1 0 N-CA-C 115.297 1.591 . . . . 0.0 115.297 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.609 ' SG ' ' HB2' ' A' ' 12' ' ' SER . 51.4 t -151.41 135.08 16.32 Favored 'General case' 0 N--CA 1.493 1.683 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.013 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.8 m . . . . . 0 N--CA 1.495 1.82 0 N-CA-C 113.291 0.848 . . . . 0.0 113.291 179.963 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.8 m . . . . . 0 N--CA 1.483 1.21 0 N-CA-C 104.81 -2.292 . . . . 0.0 104.81 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.609 ' HB2' ' SG ' ' A' ' 8' ' ' CYS . 51.0 m -60.33 0.05 0.21 Allowed 'General case' 0 N--CA 1.51 2.526 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 60.97 23.92 14.02 Favored 'General case' 0 N--CA 1.503 2.179 0 C-N-CA 123.474 0.71 . . . . 0.0 112.758 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -78.25 -57.68 3.65 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-N 115.21 -0.904 . . . . 0.0 111.534 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.565 ' SG ' ' HB3' ' A' ' 6' ' ' SER . 82.2 m -102.38 136.17 42.68 Favored 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 114.491 1.293 . . . . 0.0 114.491 -179.677 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.7 m -69.49 -22.57 63.61 Favored 'General case' 0 N--CA 1.499 2.009 0 CA-C-N 114.739 -1.118 . . . . 0.0 109.641 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.9 mmt180 -73.19 -96.77 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 107.3 -1.37 . . . . 0.0 107.3 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.7 m -155.65 156.88 35.76 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 95.2 m -107.75 103.03 12.21 Favored 'General case' 0 N--CA 1.491 1.604 0 CA-C-N 114.265 -1.334 . . . . 0.0 111.04 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.534 HD21 ' HB2' ' A' ' 22' ' ' TYR . 1.3 t30 . . . . . 0 N--CA 1.491 1.585 0 CA-C-N 113.868 -1.515 . . . . 0.0 111.087 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.534 ' HB2' HD21 ' A' ' 20' ' ' ASN . 72.9 m-85 . . . . . 0 N--CA 1.5 2.029 0 CA-C-O 120.565 0.221 . . . . 0.0 111.428 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.422 ' H ' HD22 ' A' ' 20' ' ' ASN . 68.7 p -140.7 -12.15 1.0 Allowed 'General case' 0 N--CA 1.5 2.027 0 O-C-N 123.969 0.793 . . . . 0.0 109.436 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt 67.07 27.3 8.71 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 124.795 1.309 . . . . 0.0 109.508 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.427 ' HA ' ' H ' ' A' ' 8' ' ' CYS . 81.7 mtt85 -129.81 178.33 6.6 Favored 'General case' 0 N--CA 1.496 1.87 0 CA-C-N 113.232 -1.804 . . . . 0.0 107.121 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 62.7 m -91.66 -176.35 4.45 Favored 'General case' 0 N--CA 1.496 1.838 0 CA-C-N 119.111 0.869 . . . . 0.0 110.743 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 . . . . . 0 N--CA 1.497 1.909 0 CA-C-O 121.758 0.79 . . . . 0.0 109.203 179.702 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.0 p . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.511 ' N ' ' HD2' ' A' ' 2' ' ' LYS . 1.9 mptp? -107.79 124.98 50.86 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 103.638 -2.727 . . . . 0.0 103.638 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.2 m . . . . . 0 N--CA 1.507 2.377 0 N-CA-C 116.159 1.911 . . . . 0.0 116.159 -179.656 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.818 0 N-CA-C 113.605 0.202 . . . . 0.0 113.605 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.64 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 44.7 m -81.82 114.02 20.16 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 53.6 m -45.32 90.26 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.065 0 N-CA-C 116.991 2.219 . . . . 0.0 116.991 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.908 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 28.4 p -151.45 171.1 18.07 Favored 'General case' 0 N--CA 1.495 1.79 0 CA-C-N 114.985 -1.007 . . . . 0.0 112.264 179.634 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.6 m . . . . . 0 N--CA 1.494 1.733 0 CA-C-N 114.066 -1.425 . . . . 0.0 107.357 179.857 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.43 ' HA ' ' CZ ' ' A' ' 13' ' ' TYR . 72.3 p . . . . . 0 N--CA 1.497 1.893 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.0 m -64.57 -43.46 93.83 Favored 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.43 ' CZ ' ' HA ' ' A' ' 11' ' ' THR . 21.3 m-85 56.86 12.4 1.16 Allowed 'General case' 0 N--CA 1.502 2.142 0 CA-C-N 114.284 -1.326 . . . . 0.0 112.162 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -67.8 -30.51 69.95 Favored 'General case' 0 N--CA 1.494 1.735 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.017 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.908 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 62.3 m -69.58 126.78 30.76 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 115.687 1.736 . . . . 0.0 115.687 -179.646 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 63.1 m -67.06 -29.55 69.36 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 103.576 -2.75 . . . . 0.0 103.576 179.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.0 mmt85 -99.68 -88.73 0.34 Allowed 'General case' 0 N--CA 1.489 1.481 0 CA-C-N 113.247 -1.797 . . . . 0.0 107.366 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.401 ' C ' ' SG ' ' A' ' 15' ' ' CYS . 70.5 m -162.24 159.07 25.24 Favored 'General case' 0 N--CA 1.509 2.49 0 O-C-N 123.552 0.532 . . . . 0.0 110.601 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.827 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 70.8 m -94.82 100.39 12.28 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 123.816 0.697 . . . . 0.0 110.172 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.49 HD21 ' HB2' ' A' ' 22' ' ' TYR . 10.6 t30 . . . . . 0 N--CA 1.498 1.945 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.988 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.49 ' HB2' HD21 ' A' ' 20' ' ' ASN . 19.7 m-85 . . . . . 0 N--CA 1.5 2.031 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 74.3 p -120.19 -3.24 10.06 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 124.393 1.058 . . . . 0.0 110.778 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm 62.14 37.67 14.3 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 124.223 0.952 . . . . 0.0 109.217 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 86.7 mtm180 -138.27 158.19 44.79 Favored 'General case' 0 N--CA 1.499 2.002 0 CA-C-N 113.9 -1.5 . . . . 0.0 107.734 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.64 ' SG ' ' HB2' ' A' ' 6' ' ' SER . 61.6 m -67.25 167.36 12.42 Favored 'General case' 0 N--CA 1.502 2.138 0 C-N-CA 119.392 -0.923 . . . . 0.0 112.485 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 . . . . . 0 N--CA 1.498 1.934 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 179.688 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.1 p . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 121.758 0.789 . . . . 0.0 109.935 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.464 ' NZ ' ' HB3' ' A' ' 2' ' ' LYS . 5.5 mtpm? -115.36 -167.38 1.24 Allowed 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 103.054 -2.943 . . . . 0.0 103.054 179.65 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.5 m . . . . . 0 N--CA 1.504 2.239 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 179.849 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.883 0 N-CA-C 111.443 -0.663 . . . . 0.0 111.443 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.65 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 60.6 m -94.56 120.14 34.33 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-N 113.752 -1.224 . . . . 0.0 110.32 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 55.7 m -42.78 109.22 0.12 Allowed 'General case' 0 N--CA 1.498 1.925 0 O-C-N 124.66 1.225 . . . . 0.0 112.958 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.3 p -127.29 176.26 7.55 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-N 113.962 -1.472 . . . . 0.0 109.366 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.1 m . . . . . 0 N--CA 1.496 1.826 0 N-CA-C 106.441 -1.689 . . . . 0.0 106.441 -179.863 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 N--CA 1.493 1.717 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 63.4 m -56.43 -53.51 56.55 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 123.257 0.348 . . . . 0.0 110.592 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 51.29 19.21 0.72 Allowed 'General case' 0 N--CA 1.502 2.138 0 O-C-N 124.622 1.201 . . . . 0.0 113.175 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -62.82 -38.02 89.09 Favored 'General case' 0 N--CA 1.497 1.882 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.484 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.65 ' SG ' ' HB2' ' A' ' 6' ' ' SER . 62.3 m -92.25 149.38 21.49 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 124.709 1.255 . . . . 0.0 113.297 -179.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 64.7 m -84.49 -15.37 46.22 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 124.385 1.053 . . . . 0.0 109.558 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -79.26 -107.48 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 68.9 m -155.23 162.15 40.99 Favored 'General case' 0 N--CA 1.498 1.966 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 46.1 t -97.9 104.43 16.46 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 124.026 0.829 . . . . 0.0 112.639 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.485 HD21 ' HB2' ' A' ' 22' ' ' TYR . 1.4 t30 . . . . . 0 N--CA 1.496 1.84 0 CA-C-N 114.871 -1.059 . . . . 0.0 108.203 179.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.485 ' HB2' HD21 ' A' ' 20' ' ' ASN . 67.6 m-85 . . . . . 0 N--CA 1.496 1.86 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 73.4 p -133.44 -6.42 2.93 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 124.074 0.859 . . . . 0.0 111.025 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.489 ' HD3' ' N ' ' A' ' 24' ' ' LYS . 2.7 mppt? 57.78 41.93 24.24 Favored 'General case' 0 N--CA 1.502 2.169 0 CA-C-O 122.801 1.286 . . . . 0.0 109.719 -179.712 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 -140.04 167.01 23.12 Favored 'General case' 0 N--CA 1.499 1.998 0 CA-C-N 112.333 -2.212 . . . . 0.0 106.055 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.474 ' SG ' ' HB2' ' A' ' 6' ' ' SER . 85.1 m -81.58 -178.95 7.17 Favored 'General case' 0 N--CA 1.498 1.935 0 C-N-CA 119.445 -0.902 . . . . 0.0 113.108 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.3 m-30 . . . . . 0 N--CA 1.497 1.903 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.874 -179.789 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.9 p . . . . . 0 N--CA 1.49 1.537 0 CA-C-O 121.707 0.765 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.62 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 75.5 mmtt -125.77 -168.3 1.82 Allowed 'General case' 0 N--CA 1.492 1.652 0 CA-C-N 113.525 -1.67 . . . . 0.0 106.873 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.5 m . . . . . 0 N--CA 1.503 2.191 0 CA-C-O 118.505 -0.76 . . . . 0.0 112.033 179.847 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.794 0 CA-C-O 121.115 0.286 . . . . 0.0 113.147 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.619 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 67.6 m -86.72 132.46 33.86 Favored 'General case' 0 C--N 1.303 -1.416 0 CA-C-N 114.651 -0.774 . . . . 0.0 110.552 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 53.5 m -50.3 121.85 6.15 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 124.258 0.974 . . . . 0.0 112.922 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 24.1 p -150.55 -172.7 4.25 Favored 'General case' 0 N--CA 1.497 1.918 0 CA-C-N 114.238 -1.346 . . . . 0.0 109.456 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.7 m . . . . . 0 N--CA 1.498 1.935 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 179.954 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.9 t . . . . . 0 N--CA 1.496 1.842 0 N-CA-C 111.56 0.208 . . . . 0.0 111.56 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.6 m -55.17 -54.21 46.14 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 123.8 0.688 . . . . 0.0 111.145 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 53.09 23.67 3.13 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 124.659 1.225 . . . . 0.0 110.685 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -63.05 -26.88 69.05 Favored 'General case' 0 N--CA 1.495 1.815 0 CA-C-N 114.681 -1.145 . . . . 0.0 111.055 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.62 ' SG ' ' HB2' ' A' ' 2' ' ' LYS . 76.2 m -108.62 133.61 52.5 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 124.609 1.193 . . . . 0.0 112.726 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 98.2 m -71.73 -20.79 61.85 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 124.241 0.963 . . . . 0.0 110.835 179.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.405 ' CD ' ' N ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -79.22 -97.94 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 106.307 -1.738 . . . . 0.0 106.307 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.405 ' N ' ' CD ' ' A' ' 17' ' ' ARG . 64.5 m -157.54 157.95 34.73 Favored 'General case' 0 N--CA 1.5 2.028 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 54.0 t -100.43 108.82 20.9 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 124.285 0.99 . . . . 0.0 112.737 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.7 t30 . . . . . 0 N--CA 1.497 1.903 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 179.705 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 . . . . . 0 N--CA 1.498 1.93 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 73.8 p -131.37 -6.15 3.77 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 124.4 1.062 . . . . 0.0 110.171 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt 63.57 33.43 13.37 Favored 'General case' 0 N--CA 1.501 2.113 0 CA-C-O 122.318 1.056 . . . . 0.0 109.191 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 73.1 mtp180 -130.6 169.47 15.56 Favored 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 105.181 -2.155 . . . . 0.0 105.181 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 82.0 m -88.71 179.05 6.32 Favored 'General case' 0 N--CA 1.494 1.743 0 C-N-CA 119.249 -0.981 . . . . 0.0 112.913 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 . . . . . 0 N--CA 1.497 1.903 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.77 -179.647 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 25.7 p . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 122.105 0.955 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.581 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -96.08 -171.28 2.28 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-N 112.855 -1.975 . . . . 0.0 106.328 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.493 ' H ' ' CD ' ' A' ' 4' ' ' HYP . 69.2 m -160.67 -35.4 0.05 Allowed 'General case' 0 N--CA 1.5 2.061 0 CA-C-O 118.647 -0.692 . . . . 0.0 110.874 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . 0.493 ' CD ' ' H ' ' A' ' 3' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 56.94 21.88 39.46 Favored Glycine 0 N--CA 1.496 2.673 0 O-C-N 124.841 1.338 . . . . 0.0 114.351 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.629 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 48.5 t -95.59 130.77 42.34 Favored 'General case' 0 N--CA 1.498 1.959 0 C-N-CA 120.407 -0.517 . . . . 0.0 109.893 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 78.4 p -44.19 133.46 5.3 Favored 'General case' 0 N--CA 1.5 2.055 0 N-CA-C 114.679 1.363 . . . . 0.0 114.679 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.6 p -150.62 139.11 20.5 Favored 'General case' 0 N--CA 1.497 1.895 0 CA-C-N 114.397 -1.274 . . . . 0.0 107.819 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.461 ' CB ' HD23 ' A' ' 10' ' ' HYP . 67.0 m -96.72 -55.99 2.72 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 123.825 0.703 . . . . 0.0 112.845 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . 0.461 HD23 ' CB ' ' A' ' 9' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 75.4 p -120.81 48.93 1.53 Allowed 'General case' 0 N--CA 1.494 1.76 0 O-C-N 125.348 1.655 . . . . 0.0 107.34 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.3 m -63.66 -9.13 12.34 Favored 'General case' 0 N--CA 1.497 1.883 0 CA-C-N 113.696 -1.593 . . . . 0.0 111.674 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 58.97 15.82 4.22 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 124.355 1.034 . . . . 0.0 111.743 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -65.21 -24.11 67.26 Favored 'General case' 0 N--CA 1.493 1.688 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.186 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.629 ' SG ' ' HB3' ' A' ' 6' ' ' SER . 60.7 m -132.61 146.13 51.65 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 124.686 1.241 . . . . 0.0 112.438 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.0 m -85.14 -6.15 59.31 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 124.442 1.089 . . . . 0.0 108.455 179.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.1 tpp180 -84.91 -109.31 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 71.2 m -153.42 163.61 39.63 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 50.1 t -97.17 106.35 18.67 Favored 'General case' 0 N--CA 1.497 1.921 0 N-CA-C 114.639 1.348 . . . . 0.0 114.639 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.536 HD22 ' H ' ' A' ' 23' ' ' THR . 2.2 t30 -71.28 106.94 4.02 Favored 'General case' 0 N--CA 1.495 1.82 0 CA-C-N 114.368 -1.287 . . . . 0.0 108.572 179.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.405 ' HB2' HD21 ' A' ' 20' ' ' ASN . 63.6 m-85 -78.98 -40.67 31.04 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 124.503 1.127 . . . . 0.0 109.088 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.536 ' H ' HD22 ' A' ' 20' ' ' ASN . 76.8 p -97.02 -13.26 22.4 Favored 'General case' 0 N--CA 1.495 1.803 0 CA-C-N 114.377 -1.283 . . . . 0.0 110.711 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.9 tttm 65.43 31.38 10.35 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 106.225 -1.769 . . . . 0.0 106.225 -179.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -132.56 -176.67 4.17 Favored 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 105.341 -2.096 . . . . 0.0 105.341 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 61.9 m -88.44 170.68 10.7 Favored 'General case' 0 N--CA 1.493 1.713 0 C-N-CA 119.843 -0.743 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -76.86 -76.18 0.18 Allowed 'General case' 0 N--CA 1.501 2.1 0 CA-C-O 121.677 0.751 . . . . 0.0 110.463 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.315 0 O-C-N 119.225 -2.172 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.2 p . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.445 ' H ' ' HA ' ' A' ' 15' ' ' CYS . 66.3 mttm -120.3 110.47 16.59 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 123.844 0.715 . . . . 0.0 109.677 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.497 ' HB2' HD23 ' A' ' 4' ' ' HYP . 51.0 m -68.48 -48.65 63.91 Favored 'General case' 0 N--CA 1.5 2.037 0 C-N-CA 119.384 -0.927 . . . . 0.0 112.318 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . 0.497 HD23 ' HB2' ' A' ' 3' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 63.53 3.75 8.06 Favored Glycine 0 N--CA 1.497 2.73 0 O-C-N 124.212 0.945 . . . . 0.0 113.244 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.569 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 40.6 t -64.42 102.43 0.54 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 124.012 0.477 . . . . 0.0 110.271 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 57.1 m -54.72 88.29 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.944 0 O-C-N 124.776 1.297 . . . . 0.0 112.844 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.802 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 26.7 p -150.9 172.95 14.86 Favored 'General case' 0 N--CA 1.491 1.614 0 CA-C-N 113.996 -1.456 . . . . 0.0 111.518 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.413 ' HB2' HD23 ' A' ' 10' ' ' HYP . 67.6 m -142.77 -143.22 0.14 Allowed 'General case' 0 N--CA 1.489 1.514 0 CA-C-N 113.763 -1.562 . . . . 0.0 107.771 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . 0.413 HD23 ' HB2' ' A' ' 9' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.5 p -90.65 32.31 0.98 Allowed 'General case' 0 N--CA 1.496 1.845 0 O-C-N 124.701 1.251 . . . . 0.0 113.069 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 53.0 m -68.89 -49.39 58.65 Favored 'General case' 0 N--CA 1.499 1.984 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 59.49 2.29 0.32 Allowed 'General case' 0 N--CA 1.504 2.254 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 48.5 p30 -69.82 -10.14 57.32 Favored 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.569 ' SG ' ' HB3' ' A' ' 6' ' ' SER . 90.8 m -93.77 162.69 13.82 Favored 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 42.5 m -81.94 -42.3 19.64 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 106.312 -1.736 . . . . 0.0 106.312 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -89.64 -108.09 0.08 Allowed 'General case' 0 N--CA 1.492 1.63 0 CA-C-N 113.89 -1.505 . . . . 0.0 110.027 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 70.3 m -155.49 146.97 22.89 Favored 'General case' 0 N--CA 1.503 2.213 0 O-C-N 123.41 0.444 . . . . 0.0 109.901 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.559 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 62.5 m -77.99 110.7 13.15 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 123.923 0.765 . . . . 0.0 110.661 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.479 HD21 ' HB2' ' A' ' 22' ' ' TYR . 19.1 t30 -72.03 125.33 26.98 Favored 'General case' 0 N--CA 1.495 1.804 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.679 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.479 ' HB2' HD21 ' A' ' 20' ' ' ASN . 17.1 m-85 -110.21 -23.01 11.48 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 124.764 1.29 . . . . 0.0 107.724 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 74.6 p -117.84 -8.45 10.81 Favored 'General case' 0 N--CA 1.494 1.735 0 CA-C-N 114.302 -1.317 . . . . 0.0 110.906 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.579 ' HE2' ' N ' ' A' ' 24' ' ' LYS . 0.1 OUTLIER 60.1 32.31 20.92 Favored 'General case' 0 N--CA 1.503 2.184 0 N-CA-C 106.533 -1.654 . . . . 0.0 106.533 -179.72 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 89.7 mtm-85 -145.11 145.93 31.61 Favored 'General case' 0 N--CA 1.5 2.032 0 CA-C-N 114.089 -1.414 . . . . 0.0 109.722 -179.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.802 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 95.2 m -72.36 164.8 25.73 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 115.076 1.509 . . . . 0.0 115.076 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -66.05 -70.07 0.26 Allowed 'General case' 0 N--CA 1.487 1.412 0 CA-C-N 113.191 -1.822 . . . . 0.0 112.948 -179.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.337 0 O-C-N 119.262 -2.149 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.7 p . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 122.216 1.007 . . . . 0.0 110.802 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -111.03 -167.46 1.18 Allowed 'General case' 0 N--CA 1.49 1.527 0 CA-C-N 112.632 -2.076 . . . . 0.0 106.381 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.529 ' H ' ' CD ' ' A' ' 4' ' ' HYP . 68.2 m -151.21 -35.23 0.14 Allowed 'General case' 0 N--CA 1.496 1.873 0 CA-C-O 118.338 -0.839 . . . . 0.0 112.443 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . 0.529 ' CD ' ' H ' ' A' ' 3' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 67.65 8.83 53.92 Favored Glycine 0 N--CA 1.494 2.566 0 O-C-N 124.72 1.262 . . . . 0.0 114.716 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.625 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 46.6 t -77.14 135.46 38.55 Favored 'General case' 0 N--CA 1.495 1.809 0 C-N-CA 119.241 -0.983 . . . . 0.0 108.434 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 77.7 p -52.23 109.88 0.43 Allowed 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 115.963 1.838 . . . . 0.0 115.963 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.461 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 38.7 t -140.15 127.17 20.84 Favored 'General case' 0 N--CA 1.497 1.9 0 CA-C-N 114.765 -1.107 . . . . 0.0 108.488 179.602 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.459 ' CB ' HD23 ' A' ' 10' ' ' HYP . 62.7 m -89.19 -59.64 2.17 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 123.952 0.782 . . . . 0.0 111.11 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . 0.459 HD23 ' CB ' ' A' ' 9' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 68.9 p -93.19 35.42 1.08 Allowed 'General case' 0 N--CA 1.497 1.912 0 O-C-N 124.883 1.364 . . . . 0.0 112.131 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 56.0 m -70.42 -17.11 63.01 Favored 'General case' 0 N--CA 1.499 1.989 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.566 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 62.77 -6.93 0.15 Allowed 'General case' 0 N--CA 1.501 2.115 0 N-CA-C 116.507 2.04 . . . . 0.0 116.507 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -72.54 -1.82 17.4 Favored 'General case' 0 N--CA 1.502 2.132 0 C-N-CA 119.74 -0.784 . . . . 0.0 111.634 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.59 ' SG ' ' SG ' ' A' ' 19' ' ' CYS . 64.9 m -108.17 81.46 1.49 Allowed 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 120.049 -0.66 . . . . 0.0 110.554 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.0 m -65.82 -5.71 9.79 Favored 'General case' 0 N--CA 1.499 1.984 0 C-N-CA 117.956 -1.498 . . . . 0.0 110.77 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.27 -83.17 0.43 Allowed 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 102.686 -3.079 . . . . 0.0 102.686 179.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 67.9 m -160.76 150.51 17.43 Favored 'General case' 0 N--CA 1.504 2.251 0 O-C-N 123.717 0.636 . . . . 0.0 110.03 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.59 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 95.8 m -97.64 109.58 22.31 Favored 'General case' 0 N--CA 1.502 2.144 0 N-CA-C 114.687 1.366 . . . . 0.0 114.687 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.428 ' HA ' ' CZ ' ' A' ' 27' ' ' TYR . 2.1 t30 -72.72 97.74 2.25 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-N 114.234 -1.348 . . . . 0.0 108.781 179.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -79.75 -38.61 32.88 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 124.633 1.208 . . . . 0.0 108.938 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 70.5 p -113.14 -3.67 13.91 Favored 'General case' 0 N--CA 1.496 1.859 0 CA-C-N 114.423 -1.262 . . . . 0.0 109.533 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.534 ' HD2' ' N ' ' A' ' 24' ' ' LYS . 11.1 mptt 62.38 45.48 6.54 Favored 'General case' 0 N--CA 1.495 1.82 0 CA-C-O 122.945 1.355 . . . . 0.0 109.594 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.0 mtp-105 -136.62 -171.52 2.93 Favored 'General case' 0 N--CA 1.496 1.826 0 CA-C-N 111.919 -2.4 . . . . 0.0 105.841 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.625 ' SG ' ' HB3' ' A' ' 6' ' ' SER . 58.6 m -101.58 171.24 7.68 Favored 'General case' 0 N--CA 1.506 2.359 0 C-N-CA 120.083 -0.647 . . . . 0.0 110.709 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.428 ' CZ ' ' HA ' ' A' ' 20' ' ' ASN . 84.7 m-85 -90.94 129.05 37.0 Favored 'General case' 0 N--CA 1.499 1.989 0 CA-C-O 121.721 0.772 . . . . 0.0 108.958 179.585 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.473 0 O-C-N 119.115 -2.241 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.1 p . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.408 ' H ' ' HA ' ' A' ' 15' ' ' CYS . 47.1 mmtm -114.7 112.93 23.62 Favored 'General case' 0 N--CA 1.501 2.104 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.509 ' HB2' HD23 ' A' ' 4' ' ' HYP . 67.2 m -61.54 -61.9 2.2 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 -179.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . 0.509 HD23 ' HB2' ' A' ' 3' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 63.1 6.01 11.87 Favored Glycine 0 N--CA 1.495 2.584 0 O-C-N 124.616 1.197 . . . . 0.0 112.487 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.417 ' OG ' ' SG ' ' A' ' 15' ' ' CYS . 58.3 p -75.34 140.67 43.21 Favored 'General case' 0 N--CA 1.485 1.318 0 CA-C-O 121.346 0.593 . . . . 0.0 110.413 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 81.6 p -48.91 116.54 1.69 Allowed 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 117.415 2.376 . . . . 0.0 117.415 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.41 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 42.2 t -150.78 131.51 14.05 Favored 'General case' 0 N--CA 1.496 1.83 0 CA-C-N 114.44 -1.254 . . . . 0.0 109.039 179.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.1 m -89.03 -74.0 0.49 Allowed 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . 0.466 ' HA ' ' SG ' ' A' ' 19' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 75.7 p -79.84 28.32 0.28 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 124.805 1.316 . . . . 0.0 114.005 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 55.0 m -70.88 -44.18 66.87 Favored 'General case' 0 N--CA 1.5 2.042 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 55.93 13.05 1.01 Allowed 'General case' 0 N--CA 1.501 2.09 0 O-C-N 124.752 1.283 . . . . 0.0 113.239 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 49.9 p30 -85.13 26.41 0.88 Allowed 'General case' 0 N--CA 1.495 1.805 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.241 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.417 ' SG ' ' OG ' ' A' ' 6' ' ' SER . 92.3 m -129.74 158.42 39.46 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-N 115.052 -0.976 . . . . 0.0 112.818 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 37.5 m -84.77 -50.15 7.84 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-N 114.134 -1.394 . . . . 0.0 111.337 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.1 mmt85 -73.02 -100.95 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.85 0 CA-C-N 114.578 -1.192 . . . . 0.0 112.267 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.444 ' HB2' ' CD1' ' A' ' 27' ' ' TYR . 65.0 m -143.63 -178.08 5.72 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.466 ' SG ' ' HA ' ' A' ' 10' ' ' HYP . 49.4 t -112.55 106.7 15.21 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 123.847 0.717 . . . . 0.0 111.368 -179.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.501 ' H ' ' HA ' ' A' ' 26' ' ' CYS . 0.6 OUTLIER -82.57 96.98 8.24 Favored 'General case' 0 N--CA 1.493 1.699 0 CA-C-N 114.876 -1.057 . . . . 0.0 108.509 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.417 ' HB2' HD21 ' A' ' 20' ' ' ASN . 60.3 m-85 -79.18 -31.49 43.89 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 124.443 1.089 . . . . 0.0 109.339 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.0 t -117.86 2.0 12.15 Favored 'General case' 0 N--CA 1.496 1.835 0 CA-C-N 114.585 -1.189 . . . . 0.0 109.268 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt 63.33 38.33 10.3 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 124.246 0.966 . . . . 0.0 111.396 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 -135.22 -164.9 1.6 Allowed 'General case' 0 N--CA 1.5 2.054 0 N-CA-C 106.189 -1.782 . . . . 0.0 106.189 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.501 ' HA ' ' H ' ' A' ' 20' ' ' ASN . 93.2 m -115.17 175.18 5.62 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 123.868 0.73 . . . . 0.0 112.212 179.482 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.444 ' CD1' ' HB2' ' A' ' 18' ' ' SER . 52.0 m-85 -83.21 -63.25 1.4 Allowed 'General case' 0 N--CA 1.498 1.935 0 CA-C-O 121.69 0.757 . . . . 0.0 113.03 -179.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.349 0 O-C-N 119.233 -2.167 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 30.0 p . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.488 ' N ' ' HD2' ' A' ' 2' ' ' LYS . 2.3 mptp? -132.12 113.37 13.24 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 105.188 -2.153 . . . . 0.0 105.188 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.428 ' HB2' HD23 ' A' ' 4' ' ' HYP . 57.8 m -64.75 -54.65 28.08 Favored 'General case' 0 N--CA 1.5 2.06 0 N-CA-C 115.438 1.644 . . . . 0.0 115.438 -179.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . 0.428 HD23 ' HB2' ' A' ' 3' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 65.13 8.41 36.07 Favored Glycine 0 N--CA 1.496 2.649 0 O-C-N 124.549 1.156 . . . . 0.0 114.077 179.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.539 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 46.9 t -71.6 146.14 48.56 Favored 'General case' 0 N--CA 1.495 1.812 0 C-N-CA 119.962 -0.695 . . . . 0.0 109.231 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 59.5 m -66.35 131.28 45.74 Favored 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.4 t -136.74 171.33 14.66 Favored 'General case' 0 N--CA 1.495 1.81 0 CA-C-N 113.42 -1.718 . . . . 0.0 108.246 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.493 ' CB ' ' CD ' ' A' ' 10' ' ' HYP . 65.4 m -138.02 -83.57 0.31 Allowed 'General case' 0 N--CA 1.495 1.81 0 CA-C-O 118.417 -0.801 . . . . 0.0 109.158 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . 0.493 ' CD ' ' CB ' ' A' ' 9' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 90.5 m 53.35 60.58 3.63 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 124.906 1.379 . . . . 0.0 109.518 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.4 m -71.16 6.69 1.53 Allowed 'General case' 0 N--CA 1.499 2.004 0 CA-C-N 114.207 -1.36 . . . . 0.0 111.582 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 65.41 5.8 3.36 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 124.201 0.938 . . . . 0.0 111.37 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -83.11 -22.12 33.48 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.06 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.645 ' SG ' ' SG ' ' A' ' 19' ' ' CYS . 66.6 m -90.39 119.42 30.66 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 124.072 0.858 . . . . 0.0 113.196 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 77.9 m -73.45 -43.51 60.14 Favored 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 106.235 -1.765 . . . . 0.0 106.235 179.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.404 ' HA ' ' NE ' ' A' ' 17' ' ' ARG . 3.9 mmp_? -83.49 -83.47 0.14 Allowed 'General case' 0 N--CA 1.489 1.505 0 CA-C-N 113.686 -1.597 . . . . 0.0 108.437 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 67.9 m -156.83 170.33 22.73 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 123.748 0.655 . . . . 0.0 110.968 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.645 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 85.4 m -98.79 109.45 22.21 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 115.146 1.536 . . . . 0.0 115.146 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.462 HD21 ' HB2' ' A' ' 22' ' ' TYR . 1.2 t30 -72.9 102.28 3.39 Favored 'General case' 0 N--CA 1.492 1.654 0 CA-C-N 113.957 -1.474 . . . . 0.0 108.255 179.537 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.462 ' HB2' HD21 ' A' ' 20' ' ' ASN . 63.1 m-85 -79.14 -15.44 58.12 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 124.497 1.123 . . . . 0.0 109.216 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 79.4 p -142.87 11.08 1.81 Allowed 'General case' 0 N--CA 1.497 1.883 0 CA-C-N 114.961 -1.018 . . . . 0.0 109.355 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.5 ptmm? 50.41 30.48 4.62 Favored 'General case' 0 N--CA 1.502 2.162 0 C-N-CA 124.542 1.137 . . . . 0.0 112.948 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.4 mmt85 -117.47 -164.39 0.99 Allowed 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 106.01 -1.848 . . . . 0.0 106.01 179.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.539 ' SG ' ' HB3' ' A' ' 6' ' ' SER . 66.6 m -109.3 172.66 6.72 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 123.885 0.74 . . . . 0.0 109.276 179.587 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.427 ' CZ ' ' HA ' ' A' ' 20' ' ' ASN . 96.5 m-85 -91.83 -62.24 1.46 Allowed 'General case' 0 N--CA 1.497 1.877 0 CA-C-O 121.865 0.841 . . . . 0.0 109.562 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.298 0 O-C-N 119.362 -2.086 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.8 p . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 15' ' ' CYS . 55.8 mtpt -124.45 114.55 19.62 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 105.571 -2.011 . . . . 0.0 105.571 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.459 ' HB2' HD23 ' A' ' 4' ' ' HYP . 69.5 m -65.92 -43.73 87.26 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 116.856 2.169 . . . . 0.0 116.856 -179.506 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . 0.459 HD23 ' HB2' ' A' ' 3' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 73.8 3.61 64.12 Favored Glycine 0 N--CA 1.493 2.486 0 O-C-N 124.301 1.001 . . . . 0.0 114.497 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.633 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 38.5 t -74.4 124.28 26.22 Favored 'General case' 0 N--CA 1.497 1.903 0 C-N-CA 118.913 -1.115 . . . . 0.0 108.455 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 58.8 m -47.7 93.44 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.926 0 O-C-N 124.843 1.339 . . . . 0.0 114.386 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.659 ' SG ' ' HB2' ' A' ' 12' ' ' SER . 41.8 t -150.62 149.94 30.52 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-N 114.943 -1.026 . . . . 0.0 112.885 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.501 ' CB ' HD23 ' A' ' 10' ' ' HYP . 67.0 m -150.15 -131.0 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 CA-C-N 112.738 -2.028 . . . . 0.0 106.37 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . 0.501 HD23 ' CB ' ' A' ' 9' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 71.0 p -127.74 -13.4 5.3 Favored 'General case' 0 N--CA 1.503 2.196 0 N-CA-C 114.928 1.455 . . . . 0.0 114.928 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.659 ' HB2' ' SG ' ' A' ' 8' ' ' CYS . 66.9 m -60.1 -42.51 94.83 Favored 'General case' 0 N--CA 1.501 2.085 0 C-N-CA 119.977 -0.689 . . . . 0.0 110.834 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.43 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 25.0 m-85 48.27 14.82 0.06 Allowed 'General case' 0 N--CA 1.502 2.148 0 N-CA-C 116.407 2.002 . . . . 0.0 116.407 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 26.2 p30 -68.61 -9.79 51.98 Favored 'General case' 0 N--CA 1.503 2.179 0 C-N-CA 119.13 -1.028 . . . . 0.0 112.244 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.769 ' SG ' ' SG ' ' A' ' 19' ' ' CYS . 63.2 m -72.74 132.58 43.82 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 65.7 m -70.89 -45.99 63.37 Favored 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 105.743 -1.947 . . . . 0.0 105.743 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -86.87 -80.67 0.24 Allowed 'General case' 0 N--CA 1.496 1.841 0 CA-C-N 114.4 -1.273 . . . . 0.0 110.277 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 70.2 m -151.83 161.54 42.49 Favored 'General case' 0 N--CA 1.501 2.103 0 CA-C-O 121.548 0.689 . . . . 0.0 112.83 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.769 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 81.4 m -104.41 103.28 12.97 Favored 'General case' 0 N--CA 1.497 1.922 0 CA-C-N 113.536 -1.665 . . . . 0.0 112.41 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.46 HD21 ' HB2' ' A' ' 22' ' ' TYR . 0.5 OUTLIER -77.63 111.04 12.97 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.46 ' HB2' HD21 ' A' ' 20' ' ' ASN . 21.7 m-85 -78.96 -59.5 2.75 Favored 'General case' 0 N--CA 1.499 2.024 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.9 t -78.38 -6.4 55.08 Favored 'General case' 0 N--CA 1.493 1.706 0 CA-C-N 114.84 -1.073 . . . . 0.0 108.869 179.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 58.8 tttm 60.34 31.3 20.36 Favored 'General case' 0 N--CA 1.493 1.704 0 CA-C-O 122.094 0.95 . . . . 0.0 109.463 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.405 ' HA ' ' H ' ' A' ' 8' ' ' CYS . 84.9 mtt85 -137.45 175.96 9.13 Favored 'General case' 0 N--CA 1.498 1.95 0 CA-C-N 114.417 -1.265 . . . . 0.0 108.643 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.633 ' SG ' ' HB3' ' A' ' 6' ' ' SER . 59.6 m -79.74 163.28 24.61 Favored 'General case' 0 N--CA 1.497 1.915 0 C-N-CA 119.805 -0.758 . . . . 0.0 110.859 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -74.57 -42.43 58.78 Favored 'General case' 0 N--CA 1.498 1.951 0 CA-C-O 121.844 0.83 . . . . 0.0 109.538 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.349 0 O-C-N 119.437 -2.039 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.4 p . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.586 ' HA ' ' HE2' ' A' ' 2' ' ' LYS . 7.9 mmpt? -109.19 114.99 29.17 Favored 'General case' 0 N--CA 1.5 2.03 0 N-CA-C 104.356 -2.461 . . . . 0.0 104.356 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.41 ' HB2' HD23 ' A' ' 4' ' ' HYP . 48.2 m -68.03 -58.39 4.58 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 -179.659 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . 0.41 HD23 ' HB2' ' A' ' 3' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 64.19 14.38 56.35 Favored Glycine 0 N--CA 1.494 2.539 0 O-C-N 124.307 1.005 . . . . 0.0 113.685 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.533 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 46.6 t -78.34 133.84 37.54 Favored 'General case' 0 N--CA 1.497 1.895 0 C-N-CA 119.825 -0.75 . . . . 0.0 109.853 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 78.9 p -51.3 128.84 23.41 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 124.307 1.004 . . . . 0.0 111.082 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 27.8 p -149.1 172.03 15.45 Favored 'General case' 0 N--CA 1.493 1.709 0 CA-C-N 114.534 -1.212 . . . . 0.0 109.853 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.421 ' CB ' ' CD ' ' A' ' 10' ' ' HYP . 49.0 m -117.7 -100.97 0.43 Allowed 'General case' 0 N--CA 1.494 1.725 0 N-CA-C 105.855 -1.906 . . . . 0.0 105.855 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . 0.421 ' CD ' ' CB ' ' A' ' 9' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.9 t -83.93 14.01 4.44 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 124.886 1.366 . . . . 0.0 112.36 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.44 ' HB3' HD22 ' A' ' 14' ' ' ASN . 50.7 m -70.03 -38.88 75.98 Favored 'General case' 0 N--CA 1.503 2.185 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 59.79 3.51 0.47 Allowed 'General case' 0 N--CA 1.501 2.119 0 N-CA-C 115.81 1.781 . . . . 0.0 115.81 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.44 HD22 ' HB3' ' A' ' 12' ' ' SER . 10.3 p30 -63.64 -27.65 69.38 Favored 'General case' 0 N--CA 1.502 2.174 0 C-N-CA 119.672 -0.811 . . . . 0.0 110.826 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 2' ' ' LYS . 76.8 m -65.4 110.35 2.62 Favored 'General case' 0 N--CA 1.49 1.533 0 CA-C-N 114.889 -1.05 . . . . 0.0 111.392 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 61.2 m -58.72 -42.96 89.9 Favored 'General case' 0 N--CA 1.502 2.132 0 N-CA-C 105.724 -1.954 . . . . 0.0 105.724 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 59.4 ttm-85 -80.99 -93.62 0.05 OUTLIER 'General case' 0 N--CA 1.487 1.396 0 CA-C-N 112.58 -2.1 . . . . 0.0 110.058 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.8 m -151.79 164.92 36.0 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 123.669 0.605 . . . . 0.0 110.487 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 50.8 t -98.66 103.39 15.33 Favored 'General case' 0 N--CA 1.494 1.731 0 CA-C-N 114.968 -1.015 . . . . 0.0 112.389 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.44 HD21 ' HB2' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -71.42 102.46 2.65 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-N 114.727 -1.124 . . . . 0.0 108.491 179.892 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.44 ' HB2' HD21 ' A' ' 20' ' ' ASN . 58.7 m-85 -79.43 1.38 25.68 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 124.406 1.066 . . . . 0.0 111.6 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.6 t -153.24 -0.07 0.25 Allowed 'General case' 0 N--CA 1.495 1.813 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.955 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 96.1 mttt 62.58 37.98 12.68 Favored 'General case' 0 N--CA 1.501 2.077 0 CA-C-O 121.746 0.784 . . . . 0.0 110.853 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -139.66 -178.69 5.52 Favored 'General case' 0 N--CA 1.501 2.12 0 N-CA-C 106.411 -1.7 . . . . 0.0 106.411 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.533 ' SG ' ' HB3' ' A' ' 6' ' ' SER . 49.6 m -86.61 172.0 10.59 Favored 'General case' 0 N--CA 1.496 1.854 0 C-N-CA 119.526 -0.869 . . . . 0.0 109.789 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -71.75 -0.29 10.68 Favored 'General case' 0 N--CA 1.506 2.355 0 CA-C-O 121.73 0.776 . . . . 0.0 112.713 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.478 0 O-C-N 118.912 -2.368 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 24.4 p . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 121.702 0.763 . . . . 0.0 111.346 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.478 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 54.8 mttp -88.49 -167.51 1.9 Allowed 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 105.722 -1.955 . . . . 0.0 105.722 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.441 ' HB2' HD23 ' A' ' 4' ' ' HYP . 70.2 m -163.73 -44.11 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.11 0 CA-C-O 118.333 -0.842 . . . . 0.0 111.28 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . 0.441 HD23 ' HB2' ' A' ' 3' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 60.55 9.31 12.18 Favored Glycine 0 N--CA 1.499 2.836 0 O-C-N 124.518 1.136 . . . . 0.0 113.859 179.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.672 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 59.0 m -78.38 146.05 34.84 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 77.4 p -57.01 90.75 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 116.196 1.925 . . . . 0.0 116.196 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.594 ' SG ' ' HB2' ' A' ' 12' ' ' SER . 43.8 t -150.69 139.94 21.27 Favored 'General case' 0 N--CA 1.499 1.996 0 CA-C-N 114.774 -1.103 . . . . 0.0 108.856 179.603 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.543 ' HB2' HD23 ' A' ' 10' ' ' HYP . 69.8 m -125.47 -77.01 0.58 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 124.026 0.829 . . . . 0.0 111.883 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . 0.543 HD23 ' HB2' ' A' ' 9' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 76.0 p -139.21 33.92 2.11 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 125.689 1.868 . . . . 0.0 107.853 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.594 ' HB2' ' SG ' ' A' ' 8' ' ' CYS . 48.5 m -59.07 -18.6 36.6 Favored 'General case' 0 N--CA 1.505 2.321 0 C-N-CA 120.055 -0.658 . . . . 0.0 111.243 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 56.47 10.1 0.63 Allowed 'General case' 0 N--CA 1.5 2.061 0 N-CA-C 115.013 1.486 . . . . 0.0 115.013 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -63.63 -55.92 19.86 Favored 'General case' 0 N--CA 1.496 1.844 0 C-N-CA 119.694 -0.802 . . . . 0.0 110.093 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.672 ' SG ' ' HB2' ' A' ' 6' ' ' SER . 81.0 m -84.82 121.17 27.33 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 124.562 1.164 . . . . 0.0 113.618 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.7 m -68.3 -24.65 64.88 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 124.344 1.027 . . . . 0.0 111.771 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 64.9 ttt-85 -77.09 -85.82 0.06 Allowed 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 119.733 -0.787 . . . . 0.0 109.887 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 63.7 m -151.52 160.09 43.85 Favored 'General case' 0 N--CA 1.504 2.25 0 O-C-N 123.221 0.326 . . . . 0.0 111.193 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 87.2 m -118.92 103.7 9.84 Favored 'General case' 0 N--CA 1.501 2.12 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.446 HD21 ' HB2' ' A' ' 22' ' ' TYR . 2.1 t30 -69.57 114.95 8.27 Favored 'General case' 0 N--CA 1.496 1.837 0 CA-C-N 113.582 -1.644 . . . . 0.0 111.268 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.446 ' HB2' HD21 ' A' ' 20' ' ' ASN . 22.3 m-85 -79.34 -13.98 59.28 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 124.568 1.167 . . . . 0.0 110.7 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 82.2 p -142.27 -2.57 1.11 Allowed 'General case' 0 N--CA 1.499 2.011 0 CA-C-N 115.197 -0.91 . . . . 0.0 108.736 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt 66.25 26.41 10.42 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 124.674 1.234 . . . . 0.0 110.876 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -117.73 -172.27 2.21 Favored 'General case' 0 N--CA 1.498 1.954 0 CA-C-N 113.952 -1.476 . . . . 0.0 107.555 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.588 ' SG ' ' HB3' ' A' ' 8' ' ' CYS . 84.5 m -105.32 170.44 7.88 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 179.49 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.404 ' CE2' ' HA ' ' A' ' 20' ' ' ASN . 96.5 m-85 -95.29 144.17 26.08 Favored 'General case' 0 N--CA 1.499 1.986 0 CA-C-O 121.828 0.823 . . . . 0.0 110.415 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.395 0 O-C-N 119.185 -2.197 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.406 ' C ' ' HD2' ' A' ' 2' ' ' LYS . 28.7 p . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.438 0.637 . . . . 0.0 109.679 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.471 ' N ' ' HD2' ' A' ' 2' ' ' LYS . 9.6 mptt -128.92 -173.2 2.91 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 106.434 -1.691 . . . . 0.0 106.434 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.548 ' H ' ' CD ' ' A' ' 4' ' ' HYP . 70.1 m -159.0 -13.31 0.06 Allowed 'General case' 0 N--CA 1.501 2.081 0 CA-C-O 118.961 -0.542 . . . . 0.0 111.712 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . 0.548 ' CD ' ' H ' ' A' ' 3' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 99.76 -3.42 57.43 Favored Glycine 0 N--CA 1.502 3.034 0 N-CA-C 119.314 2.486 . . . . 0.0 119.314 179.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.693 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 32.2 t -81.42 122.36 27.4 Favored 'General case' 0 N--CA 1.505 2.325 0 CA-C-N 119.723 1.761 . . . . 0.0 109.468 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 74.2 p -50.72 98.33 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.776 0 O-C-N 125.036 1.46 . . . . 0.0 114.366 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.866 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 24.5 p -150.29 153.15 35.63 Favored 'General case' 0 N--CA 1.493 1.706 0 CA-C-N 114.253 -1.34 . . . . 0.0 110.183 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.504 ' CB ' HD23 ' A' ' 10' ' ' HYP . 73.3 m -135.97 -44.58 0.65 Allowed 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . 0.504 HD23 ' CB ' ' A' ' 9' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.5 p -61.3 -14.09 24.14 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 124.902 1.377 . . . . 0.0 114.367 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.498 ' HB2' ' HB2' ' A' ' 8' ' ' CYS . 64.7 m -59.05 -47.14 86.33 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 123.668 0.605 . . . . 0.0 110.444 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 51.36 16.75 0.44 Allowed 'General case' 0 N--CA 1.504 2.249 0 N-CA-C 115.13 1.53 . . . . 0.0 115.13 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 35.7 p30 -74.16 1.85 10.31 Favored 'General case' 0 N--CA 1.5 2.049 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.866 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 38.5 m -115.7 126.87 54.66 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 123.881 0.738 . . . . 0.0 110.12 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 63.1 m -72.95 -23.92 60.74 Favored 'General case' 0 N--CA 1.501 2.092 0 C-N-CA 118.483 -1.287 . . . . 0.0 108.875 179.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 57.2 ttt-85 -81.25 -102.1 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 58.8 m -153.65 172.43 17.26 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 71.7 m -117.94 115.04 24.11 Favored 'General case' 0 N--CA 1.497 1.922 0 N-CA-C 114.852 1.427 . . . . 0.0 114.852 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.607 HD22 ' H ' ' A' ' 23' ' ' THR . 1.8 t30 -69.17 114.61 7.6 Favored 'General case' 0 N--CA 1.489 1.508 0 CA-C-N 112.877 -1.965 . . . . 0.0 108.288 179.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.504 ' HB2' HD21 ' A' ' 20' ' ' ASN . 31.3 m-85 -81.67 -28.53 33.51 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 124.506 1.129 . . . . 0.0 108.735 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.607 ' H ' HD22 ' A' ' 20' ' ' ASN . 77.4 p -109.0 -15.92 14.25 Favored 'General case' 0 N--CA 1.496 1.855 0 CA-C-N 114.281 -1.327 . . . . 0.0 110.299 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.51 ' HD2' ' N ' ' A' ' 24' ' ' LYS . 10.8 mptt 62.43 38.34 12.88 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 124.73 1.269 . . . . 0.0 108.895 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 48.5 mtm180 -141.86 173.46 11.49 Favored 'General case' 0 N--CA 1.501 2.088 0 CA-C-N 113.94 -1.482 . . . . 0.0 108.878 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.693 ' SG ' ' HB3' ' A' ' 6' ' ' SER . 47.5 m -65.89 156.39 33.55 Favored 'General case' 0 N--CA 1.506 2.371 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 179.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -69.08 -80.35 0.05 OUTLIER 'General case' 0 N--CA 1.506 2.35 0 C-N-CA 118.388 -1.325 . . . . 0.0 109.854 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.293 0 O-C-N 118.789 -2.445 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.4 p . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.458 ' HB3' ' CB ' ' A' ' 6' ' ' SER . 75.8 mmtt -133.92 97.83 3.99 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 123.636 0.585 . . . . 0.0 111.277 -179.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.1 m -61.44 -58.79 6.79 Favored 'General case' 0 N--CA 1.497 1.92 0 N-CA-C 114.314 1.227 . . . . 0.0 114.314 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 56.58 20.84 32.81 Favored Glycine 0 N--CA 1.494 2.561 0 O-C-N 124.534 1.146 . . . . 0.0 113.142 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.596 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 50.1 m -71.42 -162.43 0.08 Allowed 'General case' 0 N--CA 1.493 1.689 0 CA-C-O 118.806 -0.616 . . . . 0.0 109.771 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 57.0 m -104.2 91.92 4.14 Favored 'General case' 0 N--CA 1.504 2.272 0 N-CA-C 114.782 1.401 . . . . 0.0 114.782 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.502 ' SG ' ' HB2' ' A' ' 12' ' ' SER . 51.5 t -151.98 126.24 9.29 Favored 'General case' 0 N--CA 1.499 1.984 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.793 179.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.479 ' HB2' HD23 ' A' ' 10' ' ' HYP . 66.0 m -89.55 -90.54 0.14 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 123.981 0.801 . . . . 0.0 112.945 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . 0.479 HD23 ' HB2' ' A' ' 9' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.9 t -158.8 36.46 0.22 Allowed 'General case' 0 C--N 1.306 -1.321 0 O-C-N 125.574 1.796 . . . . 0.0 106.258 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.502 ' HB2' ' SG ' ' A' ' 8' ' ' CYS . 50.0 m -53.82 -14.3 0.93 Allowed 'General case' 0 N--CA 1.505 2.308 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 63.65 0.07 0.82 Allowed 'General case' 0 N--CA 1.501 2.116 0 N-CA-C 115.213 1.56 . . . . 0.0 115.213 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.5 p30 -64.77 -19.74 65.98 Favored 'General case' 0 N--CA 1.499 2.02 0 C-N-CA 119.439 -0.904 . . . . 0.0 110.2 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.719 ' SG ' ' SG ' ' A' ' 19' ' ' CYS . 67.8 m -74.4 159.61 32.1 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 123.935 0.772 . . . . 0.0 109.357 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 63.3 m -79.35 -44.28 21.85 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.2 mmt85 -96.67 -82.65 0.4 Allowed 'General case' 0 N--CA 1.492 1.644 0 CA-C-N 114.283 -1.326 . . . . 0.0 109.773 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 70.3 m -149.41 169.25 21.29 Favored 'General case' 0 N--CA 1.499 2.016 0 CA-C-O 121.488 0.661 . . . . 0.0 112.383 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.719 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 72.3 m -107.5 102.12 11.41 Favored 'General case' 0 N--CA 1.496 1.862 0 CA-C-N 113.513 -1.676 . . . . 0.0 112.72 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.503 HD21 ' HB2' ' A' ' 22' ' ' TYR . 0.5 OUTLIER -70.48 104.22 2.69 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 179.798 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.503 ' HB2' HD21 ' A' ' 20' ' ' ASN . 15.6 m-85 -79.62 -43.6 22.55 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 124.427 1.079 . . . . 0.0 108.865 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.8 t -105.57 -4.57 21.01 Favored 'General case' 0 N--CA 1.493 1.71 0 CA-C-N 114.092 -1.413 . . . . 0.0 108.264 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.5 ' HD2' ' N ' ' A' ' 24' ' ' LYS . 0.4 OUTLIER 65.26 29.39 11.71 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 124.79 1.306 . . . . 0.0 113.262 179.815 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 71.3 mtm180 -123.43 175.21 6.88 Favored 'General case' 0 N--CA 1.495 1.804 0 CA-C-N 113.789 -1.55 . . . . 0.0 108.186 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.596 ' SG ' ' HB2' ' A' ' 6' ' ' SER . 80.0 m -86.21 178.77 7.08 Favored 'General case' 0 N--CA 1.502 2.167 0 C-N-CA 119.258 -0.977 . . . . 0.0 109.255 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -94.5 -66.73 0.9 Allowed 'General case' 0 N--CA 1.502 2.169 0 CA-C-O 121.612 0.72 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.363 0 O-C-N 119.307 -2.12 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.4 p . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.464 ' HB3' ' CB ' ' A' ' 6' ' ' SER . 47.7 mmtm -135.64 99.23 4.14 Favored 'General case' 0 N--CA 1.502 2.175 0 O-C-N 123.614 0.571 . . . . 0.0 111.277 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.5 m -60.89 -55.01 38.06 Favored 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 66.83 21.01 70.98 Favored Glycine 0 N--CA 1.491 2.361 0 O-C-N 124.464 1.102 . . . . 0.0 115.477 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.572 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 44.6 t -84.97 127.4 34.17 Favored 'General case' 0 N--CA 1.498 1.929 0 C-N-CA 119.035 -1.066 . . . . 0.0 109.685 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 68.9 m -34.93 84.72 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.155 0 N-CA-C 116.905 2.187 . . . . 0.0 116.905 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.589 ' SG ' ' HB2' ' A' ' 12' ' ' SER . 53.8 t -152.15 154.76 36.49 Favored 'General case' 0 N--CA 1.498 1.943 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.118 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.9 m -129.29 -80.57 0.56 Allowed 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 115.632 1.716 . . . . 0.0 115.632 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 86.1 m -149.68 29.89 0.75 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 125.538 1.773 . . . . 0.0 106.516 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.589 ' HB2' ' SG ' ' A' ' 8' ' ' CYS . 53.1 m -62.65 -19.87 64.24 Favored 'General case' 0 N--CA 1.503 2.199 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 58.17 2.91 0.21 Allowed 'General case' 0 N--CA 1.505 2.301 0 N-CA-C 114.967 1.469 . . . . 0.0 114.967 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 28.3 p30 -62.74 -15.62 53.95 Favored 'General case' 0 N--CA 1.499 1.978 0 C-N-CA 120.234 -0.586 . . . . 0.0 111.648 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.712 ' SG ' ' SG ' ' A' ' 19' ' ' CYS . 64.6 m -84.08 159.26 21.18 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.192 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 61.6 m -81.22 -50.53 9.45 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 105.71 -1.959 . . . . 0.0 105.71 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.5 tpt180 -82.29 -85.31 0.11 Allowed 'General case' 0 N--CA 1.491 1.578 0 CA-C-N 114.03 -1.441 . . . . 0.0 107.967 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 71.1 m -155.51 170.53 21.74 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 123.994 0.808 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.712 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 85.9 m -104.84 100.27 9.9 Favored 'General case' 0 N--CA 1.496 1.844 0 CA-C-N 113.736 -1.575 . . . . 0.0 110.547 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.646 HD22 ' H ' ' A' ' 23' ' ' THR . 0.9 OUTLIER -75.16 102.06 4.82 Favored 'General case' 0 N--CA 1.494 1.775 0 CA-C-N 114.979 -1.009 . . . . 0.0 108.7 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.438 ' HB2' HD21 ' A' ' 20' ' ' ASN . 63.3 m-85 -79.04 -39.03 35.03 Favored 'General case' 0 N--CA 1.499 2.019 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.646 ' H ' HD22 ' A' ' 20' ' ' ASN . 66.8 p -93.08 -9.67 38.77 Favored 'General case' 0 N--CA 1.494 1.761 0 CA-C-N 114.083 -1.417 . . . . 0.0 108.897 179.716 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.24 30.59 19.98 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 105.87 -1.9 . . . . 0.0 105.87 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.498 ' HA ' ' H ' ' A' ' 8' ' ' CYS . 90.2 mtt-85 -139.65 172.79 12.28 Favored 'General case' 0 N--CA 1.496 1.871 0 CA-C-N 113.683 -1.599 . . . . 0.0 110.298 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.572 ' SG ' ' HB3' ' A' ' 6' ' ' SER . 64.5 m -80.75 -176.93 6.08 Favored 'General case' 0 N--CA 1.5 2.07 0 C-N-CA 119.986 -0.685 . . . . 0.0 111.538 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -85.28 -85.88 0.14 Allowed 'General case' 0 N--CA 1.497 1.875 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.159 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.241 0 O-C-N 118.94 -2.35 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.6 p . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -131.2 111.27 11.78 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 123.856 0.723 . . . . 0.0 110.592 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.494 ' HB2' HD23 ' A' ' 4' ' ' HYP . 50.8 m -71.47 -35.42 70.84 Favored 'General case' 0 N--CA 1.495 1.781 0 CA-C-O 117.435 -1.269 . . . . 0.0 113.448 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . 0.494 HD23 ' HB2' ' A' ' 3' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 111.1 -20.29 23.99 Favored Glycine 0 N--CA 1.502 3.049 0 N-CA-C 117.612 1.805 . . . . 0.0 117.612 179.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.608 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 47.7 t -66.5 113.15 4.5 Favored 'General case' 0 N--CA 1.498 1.973 0 C-N-CA 118.85 -1.14 . . . . 0.0 109.405 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 74.5 p -51.84 95.6 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.804 0 O-C-N 125.146 1.529 . . . . 0.0 113.439 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.823 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 31.6 p -150.76 164.36 36.38 Favored 'General case' 0 N--CA 1.491 1.606 0 CA-C-N 114.526 -1.215 . . . . 0.0 111.038 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.453 ' HB2' HD23 ' A' ' 10' ' ' HYP . 74.7 m -147.95 -131.88 0.06 Allowed 'General case' 0 N--CA 1.492 1.636 0 CA-C-N 114.275 -1.33 . . . . 0.0 109.364 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . 0.453 HD23 ' HB2' ' A' ' 9' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.6 t -148.44 9.81 0.84 Allowed 'General case' 0 N--CA 1.498 1.938 0 O-C-N 124.084 0.865 . . . . 0.0 111.624 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.1 m -58.29 -50.62 72.97 Favored 'General case' 0 N--CA 1.498 1.933 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.655 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 59.76 8.41 1.33 Allowed 'General case' 0 N--CA 1.502 2.137 0 O-C-N 124.709 1.255 . . . . 0.0 112.895 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 47.3 p30 -71.46 -4.17 25.11 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.823 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 61.5 m -87.06 156.95 19.53 Favored 'General case' 0 N--CA 1.493 1.679 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.63 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 60.5 m -76.72 -40.72 47.68 Favored 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 104.251 -2.5 . . . . 0.0 104.251 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 25.4 tpt180 -90.82 -93.8 0.13 Allowed 'General case' 0 N--CA 1.49 1.559 0 CA-C-N 113.244 -1.798 . . . . 0.0 106.772 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.9 m -157.07 179.25 9.47 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 123.767 0.667 . . . . 0.0 109.462 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.623 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 98.2 m -107.6 103.2 12.45 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 123.991 0.807 . . . . 0.0 111.703 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.535 ' ND2' ' H ' ' A' ' 22' ' ' TYR . 2.8 t30 -66.49 130.77 44.31 Favored 'General case' 0 N--CA 1.497 1.885 0 CA-C-N 114.81 -1.087 . . . . 0.0 110.398 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' HYP . . . . . 0.425 HD23 ' HA ' ' A' ' 20' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.535 ' H ' ' ND2' ' A' ' 20' ' ' ASN . 19.1 m-85 -78.87 -43.67 24.53 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 124.246 0.966 . . . . 0.0 108.502 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.0 t -105.63 -10.79 16.62 Favored 'General case' 0 N--CA 1.492 1.656 0 CA-C-N 114.258 -1.337 . . . . 0.0 108.812 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 60.8 mttp 61.47 45.76 8.1 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 124.564 1.165 . . . . 0.0 110.098 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 90.9 mtt-85 -142.67 162.45 35.44 Favored 'General case' 0 N--CA 1.498 1.973 0 CA-C-N 113.248 -1.797 . . . . 0.0 107.319 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.608 ' SG ' ' HB3' ' A' ' 6' ' ' SER . 69.2 m -63.36 153.52 34.78 Favored 'General case' 0 N--CA 1.5 2.056 0 C-N-CA 119.568 -0.853 . . . . 0.0 111.533 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -66.32 94.38 0.26 Allowed 'General case' 0 N--CA 1.502 2.154 0 CA-C-O 122.126 0.965 . . . . 0.0 111.182 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.384 0 O-C-N 119.245 -2.16 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 32.0 p . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -118.44 118.97 33.18 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 106.338 -1.727 . . . . 0.0 106.338 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.427 ' HB2' HD23 ' A' ' 4' ' ' HYP . 45.0 m -74.11 -47.55 35.51 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . 0.427 HD23 ' HB2' ' A' ' 3' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 59.95 12.62 22.84 Favored Glycine 0 N--CA 1.497 2.705 0 O-C-N 124.581 1.176 . . . . 0.0 113.26 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.407 ' OG ' ' SG ' ' A' ' 26' ' ' CYS . 61.6 p -88.15 126.71 35.27 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-O 121.275 0.56 . . . . 0.0 110.271 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 52.7 m -43.24 128.65 4.73 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 115.368 1.618 . . . . 0.0 115.368 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 40.7 t -147.34 144.73 28.97 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-N 113.619 -1.628 . . . . 0.0 109.442 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.442 ' CB ' ' CD ' ' A' ' 10' ' ' HYP . 49.8 m -115.48 -80.99 0.6 Allowed 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 107.667 -1.235 . . . . 0.0 107.667 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . 0.442 ' CD ' ' CB ' ' A' ' 9' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.8 p -83.01 32.27 0.43 Allowed 'General case' 0 N--CA 1.496 1.853 0 O-C-N 124.61 1.194 . . . . 0.0 113.026 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 64.0 m -76.9 -35.1 57.62 Favored 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 55.96 13.36 1.11 Allowed 'General case' 0 N--CA 1.501 2.105 0 O-C-N 124.661 1.226 . . . . 0.0 113.609 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -76.36 -41.08 49.32 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.415 ' SG ' ' HA ' ' A' ' 19' ' ' CYS . 63.8 m -51.63 107.94 0.23 Allowed 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 63.3 m -66.19 -45.44 80.82 Favored 'General case' 0 N--CA 1.5 2.07 0 N-CA-C 105.546 -2.02 . . . . 0.0 105.546 179.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.1 tpp180 -83.34 -86.38 0.11 Allowed 'General case' 0 N--CA 1.491 1.598 0 CA-C-N 113.313 -1.767 . . . . 0.0 109.698 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 69.9 m -150.1 167.47 26.71 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 123.741 0.651 . . . . 0.0 111.117 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.415 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 51.8 t -97.21 109.88 22.54 Favored 'General case' 0 N--CA 1.497 1.903 0 CA-C-N 114.332 -1.303 . . . . 0.0 111.34 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.468 HD22 ' C ' ' A' ' 20' ' ' ASN . 0.1 OUTLIER -83.17 92.05 7.37 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 124.521 1.138 . . . . 0.0 108.002 179.915 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.447 ' H ' HD22 ' A' ' 20' ' ' ASN . 20.3 m-85 -79.43 -29.33 41.85 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 124.61 1.194 . . . . 0.0 108.794 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.419 HG23 ' HE ' ' A' ' 25' ' ' ARG . 9.7 t -119.13 -2.76 10.68 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-N 114.146 -1.388 . . . . 0.0 110.451 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 60.0 mttp 75.13 19.05 2.36 Favored 'General case' 0 N--CA 1.506 2.329 0 N-CA-C 115.738 1.755 . . . . 0.0 115.738 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.419 ' HE ' HG23 ' A' ' 23' ' ' THR . 1.9 mpp_? -130.0 -168.22 1.93 Allowed 'General case' 0 N--CA 1.504 2.255 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 179.484 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.407 ' SG ' ' OG ' ' A' ' 6' ' ' SER . 63.0 m -95.44 168.15 10.88 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -78.79 113.71 17.1 Favored 'General case' 0 N--CA 1.496 1.872 0 CA-C-O 121.877 0.846 . . . . 0.0 110.022 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.429 0 O-C-N 119.409 -2.057 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 22.7 p . . . . . 0 N--CA 1.489 1.482 0 CA-C-O 121.352 0.596 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -89.12 -159.01 0.53 Allowed 'General case' 0 N--CA 1.5 2.071 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.482 ' HB2' HD23 ' A' ' 4' ' ' HYP . 74.6 m -167.18 -43.09 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.161 0 CA-C-O 118.001 -0.999 . . . . 0.0 111.822 179.502 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . 0.482 HD23 ' HB2' ' A' ' 3' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 65.85 3.43 15.97 Favored Glycine 0 N--CA 1.498 2.79 0 O-C-N 123.961 0.788 . . . . 0.0 112.92 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.465 ' OG ' ' SG ' ' A' ' 15' ' ' CYS . 53.8 p -81.76 127.82 33.36 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 51.1 m -50.38 133.65 24.15 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 114.363 1.246 . . . . 0.0 114.363 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 27.4 p -150.38 -172.63 4.23 Favored 'General case' 0 N--CA 1.496 1.839 0 CA-C-N 113.755 -1.566 . . . . 0.0 107.571 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.51 ' CB ' HD23 ' A' ' 10' ' ' HYP . 66.2 m -139.84 -58.83 0.56 Allowed 'General case' 0 N--CA 1.501 2.099 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . 0.51 HD23 ' CB ' ' A' ' 9' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 86.9 m -152.9 55.03 0.78 Allowed 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 105.37 -2.085 . . . . 0.0 105.37 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.2 m -66.87 -3.77 7.73 Favored 'General case' 0 N--CA 1.497 1.919 0 CA-C-N 114.044 -1.434 . . . . 0.0 112.9 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 59.16 9.86 1.47 Allowed 'General case' 0 N--CA 1.503 2.219 0 O-C-N 123.947 0.779 . . . . 0.0 112.618 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.617 ' H ' HD22 ' A' ' 14' ' ' ASN . 1.0 OUTLIER -60.42 -26.44 66.7 Favored 'General case' 0 N--CA 1.497 1.914 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.797 179.903 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.465 ' SG ' ' OG ' ' A' ' 6' ' ' SER . 77.1 m -107.01 175.91 5.35 Favored 'General case' 0 N--CA 1.489 1.496 0 CA-C-N 114.475 -1.239 . . . . 0.0 111.528 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.9 m -90.56 -46.94 7.99 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-N 113.221 -1.809 . . . . 0.0 107.886 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -75.09 -103.51 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 CA-C-N 114.115 -1.402 . . . . 0.0 111.517 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 68.5 m -152.61 176.23 11.95 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 123.686 0.616 . . . . 0.0 110.217 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.4 t -101.61 105.86 16.85 Favored 'General case' 0 N--CA 1.493 1.702 0 CA-C-N 114.778 -1.101 . . . . 0.0 113.734 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.409 HD21 ' HB2' ' A' ' 22' ' ' TYR . 2.4 t30 -69.46 96.61 0.92 Allowed 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 106.972 -1.492 . . . . 0.0 106.972 179.494 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.409 ' HB2' HD21 ' A' ' 20' ' ' ASN . 23.5 m-85 -79.69 -31.52 41.32 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 124.814 1.321 . . . . 0.0 107.572 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 76.7 p -114.89 -5.72 12.59 Favored 'General case' 0 N--CA 1.494 1.75 0 CA-C-N 114.143 -1.39 . . . . 0.0 109.734 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.538 ' HD2' ' N ' ' A' ' 24' ' ' LYS . 11.0 mptt 63.47 28.59 15.41 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 124.525 1.14 . . . . 0.0 110.571 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 62.0 mtm180 -129.86 175.93 8.45 Favored 'General case' 0 N--CA 1.5 2.045 0 N-CA-C 105.196 -2.15 . . . . 0.0 105.196 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.4 ' HA ' ' H ' ' A' ' 20' ' ' ASN . 72.6 m -91.96 170.18 10.06 Favored 'General case' 0 N--CA 1.499 2.003 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -74.5 101.19 4.08 Favored 'General case' 0 N--CA 1.499 2.015 0 CA-C-O 122.258 1.028 . . . . 0.0 113.164 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.441 0 O-C-N 119.529 -1.982 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.4 p . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -142.93 104.8 4.37 Favored 'General case' 0 N--CA 1.504 2.25 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.424 ' HB2' HD23 ' A' ' 4' ' ' HYP . 49.0 m -60.18 -42.91 96.03 Favored 'General case' 0 N--CA 1.496 1.834 0 CA-C-O 117.624 -1.179 . . . . 0.0 113.213 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . 0.424 HD23 ' HB2' ' A' ' 3' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 89.46 -5.28 84.02 Favored Glycine 0 N--CA 1.497 2.763 0 N-CA-C 117.232 1.653 . . . . 0.0 117.232 179.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.623 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 44.4 t -76.25 135.06 39.66 Favored 'General case' 0 N--CA 1.5 2.069 0 C-N-CA 118.286 -1.365 . . . . 0.0 109.024 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 55.6 m -54.76 92.84 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.737 0 O-C-N 125.198 1.561 . . . . 0.0 115.184 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.639 ' SG ' ' HB2' ' A' ' 12' ' ' SER . 53.2 t -150.39 143.89 25.12 Favored 'General case' 0 N--CA 1.494 1.737 0 CA-C-N 114.896 -1.047 . . . . 0.0 108.737 179.533 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.507 ' HB2' HD23 ' A' ' 10' ' ' HYP . 70.3 m -133.45 -74.64 0.49 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 124.117 0.886 . . . . 0.0 112.027 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . 0.507 HD23 ' HB2' ' A' ' 9' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 74.4 p -132.87 22.17 4.2 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 125.504 1.753 . . . . 0.0 110.114 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.639 ' HB2' ' SG ' ' A' ' 8' ' ' CYS . 57.2 m -66.46 -26.71 67.33 Favored 'General case' 0 N--CA 1.504 2.235 0 C-N-CA 119.144 -1.022 . . . . 0.0 108.642 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 44.38 19.56 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.058 0 N-CA-C 117.939 2.57 . . . . 0.0 117.939 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 24.0 p30 -72.79 1.0 9.37 Favored 'General case' 0 N--CA 1.501 2.115 0 C-N-CA 118.928 -1.109 . . . . 0.0 110.797 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.598 ' SG ' ' SG ' ' A' ' 19' ' ' CYS . 57.7 m -89.38 156.39 18.72 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 123.843 0.715 . . . . 0.0 111.438 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 65.2 m -86.36 -49.61 7.52 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 105.711 -1.959 . . . . 0.0 105.711 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 57.2 ttt85 -81.96 -85.4 0.11 Allowed 'General case' 0 N--CA 1.49 1.561 0 CA-C-N 113.591 -1.64 . . . . 0.0 109.351 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.432 ' HB2' ' CD1' ' A' ' 27' ' ' TYR . 69.2 m -150.14 169.63 20.84 Favored 'General case' 0 N--CA 1.495 1.793 0 CA-C-O 121.656 0.741 . . . . 0.0 111.574 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.598 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 92.4 m -104.28 99.1 8.81 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-N 113.415 -1.72 . . . . 0.0 112.115 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.43 HD21 ' HB2' ' A' ' 22' ' ' TYR . 1.6 t30 -70.12 96.49 1.08 Allowed 'General case' 0 N--CA 1.495 1.795 0 CA-C-N 113.986 -1.461 . . . . 0.0 109.776 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.43 ' HB2' HD21 ' A' ' 20' ' ' ASN . 84.3 m-85 -90.18 -29.87 17.96 Favored 'General case' 0 N--CA 1.499 2.0 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 179.695 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.443 ' O ' ' HB2' ' A' ' 24' ' ' LYS . 71.5 p -118.2 -12.61 9.96 Favored 'General case' 0 N--CA 1.499 1.995 0 CA-C-N 114.501 -1.227 . . . . 0.0 109.41 179.747 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.604 ' HE2' ' N ' ' A' ' 24' ' ' LYS . 0.1 OUTLIER 83.69 16.13 0.27 Allowed 'General case' 0 N--CA 1.501 2.087 0 C-N-CA 126.161 1.785 . . . . 0.0 111.274 -179.782 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.418 ' HD2' ' C ' ' A' ' 24' ' ' LYS . 4.7 mpt_? -119.19 -168.64 1.6 Allowed 'General case' 0 N--CA 1.502 2.143 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.678 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.623 ' SG ' ' HB3' ' A' ' 6' ' ' SER . 70.1 m -93.67 165.15 12.85 Favored 'General case' 0 N--CA 1.498 1.974 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 179.578 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.432 ' CD1' ' HB2' ' A' ' 18' ' ' SER . 46.3 m-85 -74.2 -76.44 0.13 Allowed 'General case' 0 N--CA 1.499 2.002 0 C-N-CA 119.577 -0.849 . . . . 0.0 110.146 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.351 0 O-C-N 119.071 -2.268 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.1 p . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.908 0.861 . . . . 0.0 110.059 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.617 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 14.3 mmmm -104.29 179.38 4.29 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 104.304 -2.48 . . . . 0.0 104.304 179.433 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.449 ' HB2' HD23 ' A' ' 4' ' ' HYP . 72.9 m -156.4 -17.84 0.1 Allowed 'General case' 0 N--CA 1.502 2.125 0 CA-C-O 118.239 -0.886 . . . . 0.0 112.539 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . 0.449 HD23 ' HB2' ' A' ' 3' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 68.53 22.42 75.01 Favored Glycine 0 N--CA 1.493 2.437 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 179.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.7 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 31.9 t -84.21 117.55 23.59 Favored 'General case' 0 N--CA 1.502 2.125 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 77.3 p -43.9 83.57 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.131 0 N-CA-C 116.957 2.206 . . . . 0.0 116.957 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.805 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 30.6 p -151.81 170.43 19.81 Favored 'General case' 0 N--CA 1.497 1.893 0 CA-C-N 115.326 -0.852 . . . . 0.0 112.156 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.3 m -144.82 -72.51 0.26 Allowed 'General case' 0 N--CA 1.493 1.692 0 CA-C-N 114.594 -1.185 . . . . 0.0 113.127 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 76.2 p -122.59 21.62 10.08 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 125.442 1.714 . . . . 0.0 110.394 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.6 m -59.98 -49.72 76.58 Favored 'General case' 0 N--CA 1.501 2.101 0 C-N-CA 119.925 -0.71 . . . . 0.0 110.256 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 55.59 15.9 1.69 Allowed 'General case' 0 N--CA 1.501 2.1 0 N-CA-C 114.551 1.315 . . . . 0.0 114.551 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.467 ' H ' HD22 ' A' ' 14' ' ' ASN . 3.3 p30 -64.33 -31.1 72.16 Favored 'General case' 0 N--CA 1.502 2.154 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.989 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.7 ' SG ' ' HB3' ' A' ' 6' ' ' SER . 79.1 m -93.44 142.69 27.04 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 123.859 0.724 . . . . 0.0 110.113 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 64.5 m -72.03 -15.78 62.04 Favored 'General case' 0 N--CA 1.496 1.828 0 C-N-CA 119.627 -0.829 . . . . 0.0 109.766 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.7 mmt85 -88.06 -108.98 0.07 Allowed 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 107.281 -1.378 . . . . 0.0 107.281 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.6 m -151.8 165.47 34.36 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 123.264 0.352 . . . . 0.0 110.248 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 97.7 m -104.88 102.23 11.78 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 124.382 1.051 . . . . 0.0 112.371 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.506 HD22 ' H ' ' A' ' 23' ' ' THR . 10.4 t30 -70.09 125.67 27.45 Favored 'General case' 0 N--CA 1.497 1.886 0 CA-C-N 114.805 -1.089 . . . . 0.0 109.96 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' HYP . . . . . 0.407 HD23 ' HA ' ' A' ' 20' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.495 ' HB2' HD21 ' A' ' 20' ' ' ASN . 19.4 m-85 -79.42 -45.34 19.64 Favored 'General case' 0 N--CA 1.499 2.021 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 -179.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.506 ' H ' HD22 ' A' ' 20' ' ' ASN . 67.1 p -95.02 -9.87 32.56 Favored 'General case' 0 N--CA 1.494 1.735 0 CA-C-N 114.2 -1.364 . . . . 0.0 110.615 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.2 tttp 61.44 35.73 17.58 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 107.342 -1.355 . . . . 0.0 107.342 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 43.0 mtm105 -142.42 161.89 36.87 Favored 'General case' 0 N--CA 1.5 2.045 0 CA-C-N 113.991 -1.458 . . . . 0.0 108.453 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.805 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 80.7 m -72.82 169.28 17.11 Favored 'General case' 0 N--CA 1.496 1.838 0 C-N-CA 119.453 -0.899 . . . . 0.0 111.887 179.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -76.57 -82.99 0.07 Allowed 'General case' 0 N--CA 1.498 1.929 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.409 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.37 0 O-C-N 119.0 -2.312 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 30.1 p . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.514 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 65.9 mttm -150.79 -161.81 1.42 Allowed 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 103.885 -2.635 . . . . 0.0 103.885 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.408 ' HB2' HD23 ' A' ' 4' ' ' HYP . 70.2 m -154.74 -49.43 0.09 Allowed 'General case' 0 N--CA 1.504 2.242 0 N-CA-C 113.326 0.862 . . . . 0.0 113.326 179.622 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . 0.408 HD23 ' HB2' ' A' ' 3' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 60.58 21.04 57.15 Favored Glycine 0 N--CA 1.497 2.732 0 O-C-N 123.95 0.781 . . . . 0.0 114.279 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.565 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 39.0 t -81.31 139.71 35.23 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 77.4 p -45.36 84.09 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.1 0 N-CA-C 115.297 1.591 . . . . 0.0 115.297 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.609 ' SG ' ' HB2' ' A' ' 12' ' ' SER . 51.4 t -151.41 135.08 16.32 Favored 'General case' 0 N--CA 1.493 1.683 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.013 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.531 ' HB2' HD23 ' A' ' 10' ' ' HYP . 72.8 m -110.34 -77.45 0.59 Allowed 'General case' 0 N--CA 1.495 1.82 0 N-CA-C 113.291 0.848 . . . . 0.0 113.291 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . 0.531 HD23 ' HB2' ' A' ' 9' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.8 m -150.65 45.82 0.86 Allowed 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 104.81 -2.292 . . . . 0.0 104.81 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.609 ' HB2' ' SG ' ' A' ' 8' ' ' CYS . 51.0 m -60.33 0.05 0.21 Allowed 'General case' 0 N--CA 1.51 2.526 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 60.97 23.92 14.02 Favored 'General case' 0 N--CA 1.503 2.179 0 C-N-CA 123.474 0.71 . . . . 0.0 112.758 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -78.25 -57.68 3.65 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-N 115.21 -0.904 . . . . 0.0 111.534 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.565 ' SG ' ' HB3' ' A' ' 6' ' ' SER . 82.2 m -102.38 136.17 42.68 Favored 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 114.491 1.293 . . . . 0.0 114.491 -179.677 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.7 m -69.49 -22.57 63.61 Favored 'General case' 0 N--CA 1.499 2.009 0 CA-C-N 114.739 -1.118 . . . . 0.0 109.641 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.9 mmt180 -73.19 -96.77 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 107.3 -1.37 . . . . 0.0 107.3 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.7 m -155.65 156.88 35.76 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 95.2 m -107.75 103.03 12.21 Favored 'General case' 0 N--CA 1.491 1.604 0 CA-C-N 114.265 -1.334 . . . . 0.0 111.04 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.534 HD21 ' HB2' ' A' ' 22' ' ' TYR . 1.3 t30 -64.78 117.23 7.21 Favored 'General case' 0 N--CA 1.491 1.585 0 CA-C-N 113.868 -1.515 . . . . 0.0 111.087 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.534 ' HB2' HD21 ' A' ' 20' ' ' ASN . 72.9 m-85 -79.08 -5.22 53.55 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 124.695 1.247 . . . . 0.0 111.428 -179.729 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.422 ' H ' HD22 ' A' ' 20' ' ' ASN . 68.7 p -140.7 -12.15 1.0 Allowed 'General case' 0 N--CA 1.5 2.027 0 O-C-N 123.969 0.793 . . . . 0.0 109.436 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt 67.07 27.3 8.71 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 124.795 1.309 . . . . 0.0 109.508 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.427 ' HA ' ' H ' ' A' ' 8' ' ' CYS . 81.7 mtt85 -129.81 178.33 6.6 Favored 'General case' 0 N--CA 1.496 1.87 0 CA-C-N 113.232 -1.804 . . . . 0.0 107.121 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 62.7 m -91.66 -176.35 4.45 Favored 'General case' 0 N--CA 1.496 1.838 0 CA-C-N 119.111 0.869 . . . . 0.0 110.743 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -95.64 -71.35 0.67 Allowed 'General case' 0 N--CA 1.497 1.909 0 CA-C-O 121.758 0.79 . . . . 0.0 109.203 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.31 0 O-C-N 119.044 -2.285 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.0 p . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.511 ' N ' ' HD2' ' A' ' 2' ' ' LYS . 1.9 mptp? -107.79 124.98 50.86 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 103.638 -2.727 . . . . 0.0 103.638 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.421 ' HB2' HD23 ' A' ' 4' ' ' HYP . 50.2 m -82.36 -45.86 14.34 Favored 'General case' 0 N--CA 1.507 2.377 0 N-CA-C 116.159 1.911 . . . . 0.0 116.159 -179.656 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . 0.421 HD23 ' HB2' ' A' ' 3' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 56.29 21.18 32.14 Favored Glycine 0 N--CA 1.498 2.818 0 O-C-N 124.553 1.158 . . . . 0.0 113.605 179.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.64 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 44.7 m -81.82 114.02 20.16 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 53.6 m -45.32 90.26 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.065 0 N-CA-C 116.991 2.219 . . . . 0.0 116.991 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.908 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 28.4 p -151.45 171.1 18.07 Favored 'General case' 0 N--CA 1.495 1.79 0 CA-C-N 114.985 -1.007 . . . . 0.0 112.264 179.634 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.499 ' CB ' HD23 ' A' ' 10' ' ' HYP . 66.6 m -142.52 -145.36 0.17 Allowed 'General case' 0 N--CA 1.494 1.733 0 CA-C-N 114.066 -1.425 . . . . 0.0 107.357 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . 0.499 HD23 ' CB ' ' A' ' 9' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.43 ' HA ' ' CZ ' ' A' ' 13' ' ' TYR . 72.3 p -74.31 10.28 1.34 Allowed 'General case' 0 N--CA 1.497 1.893 0 O-C-N 124.503 1.127 . . . . 0.0 113.767 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.0 m -64.57 -43.46 93.83 Favored 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.43 ' CZ ' ' HA ' ' A' ' 11' ' ' THR . 21.3 m-85 56.86 12.4 1.16 Allowed 'General case' 0 N--CA 1.502 2.142 0 CA-C-N 114.284 -1.326 . . . . 0.0 112.162 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -67.8 -30.51 69.95 Favored 'General case' 0 N--CA 1.494 1.735 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.017 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.908 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 62.3 m -69.58 126.78 30.76 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 115.687 1.736 . . . . 0.0 115.687 -179.646 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 63.1 m -67.06 -29.55 69.36 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 103.576 -2.75 . . . . 0.0 103.576 179.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.0 mmt85 -99.68 -88.73 0.34 Allowed 'General case' 0 N--CA 1.489 1.481 0 CA-C-N 113.247 -1.797 . . . . 0.0 107.366 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.401 ' C ' ' SG ' ' A' ' 15' ' ' CYS . 70.5 m -162.24 159.07 25.24 Favored 'General case' 0 N--CA 1.509 2.49 0 O-C-N 123.552 0.532 . . . . 0.0 110.601 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.827 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 70.8 m -94.82 100.39 12.28 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 123.816 0.697 . . . . 0.0 110.172 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.49 HD21 ' HB2' ' A' ' 22' ' ' TYR . 10.6 t30 -63.29 128.6 36.59 Favored 'General case' 0 N--CA 1.498 1.945 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.988 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.49 ' HB2' HD21 ' A' ' 20' ' ' ASN . 19.7 m-85 -79.64 -32.39 41.66 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 124.077 0.86 . . . . 0.0 109.716 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 74.3 p -120.19 -3.24 10.06 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 124.393 1.058 . . . . 0.0 110.778 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm 62.14 37.67 14.3 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 124.223 0.952 . . . . 0.0 109.217 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 86.7 mtm180 -138.27 158.19 44.79 Favored 'General case' 0 N--CA 1.499 2.002 0 CA-C-N 113.9 -1.5 . . . . 0.0 107.734 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.64 ' SG ' ' HB2' ' A' ' 6' ' ' SER . 61.6 m -67.25 167.36 12.42 Favored 'General case' 0 N--CA 1.502 2.138 0 C-N-CA 119.392 -0.923 . . . . 0.0 112.485 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -77.71 -66.58 0.82 Allowed 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.297 0 O-C-N 119.159 -2.213 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.1 p . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 121.758 0.789 . . . . 0.0 109.935 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.464 ' NZ ' ' HB3' ' A' ' 2' ' ' LYS . 5.5 mtpm? -115.36 -167.38 1.24 Allowed 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 103.054 -2.943 . . . . 0.0 103.054 179.65 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.417 ' H ' ' CD ' ' A' ' 4' ' ' HYP . 68.5 m -154.46 -45.96 0.09 Allowed 'General case' 0 N--CA 1.504 2.239 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . 0.417 ' CD ' ' H ' ' A' ' 3' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 49.48 36.75 24.59 Favored Glycine 0 N--CA 1.499 2.883 0 O-C-N 124.818 1.324 . . . . 0.0 111.443 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.65 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 60.6 m -94.56 120.14 34.33 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-N 113.752 -1.224 . . . . 0.0 110.32 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 55.7 m -42.78 109.22 0.12 Allowed 'General case' 0 N--CA 1.498 1.925 0 O-C-N 124.66 1.225 . . . . 0.0 112.958 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.3 p -127.29 176.26 7.55 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-N 113.962 -1.472 . . . . 0.0 109.366 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.453 ' CB ' ' CD ' ' A' ' 10' ' ' HYP . 45.1 m -128.61 -102.74 0.32 Allowed 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 106.441 -1.689 . . . . 0.0 106.441 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . 0.453 ' CD ' ' CB ' ' A' ' 9' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.0 t -77.92 4.84 11.02 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 124.725 1.266 . . . . 0.0 112.559 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 63.4 m -56.43 -53.51 56.55 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 123.257 0.348 . . . . 0.0 110.592 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 51.29 19.21 0.72 Allowed 'General case' 0 N--CA 1.502 2.138 0 O-C-N 124.622 1.201 . . . . 0.0 113.175 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -62.82 -38.02 89.09 Favored 'General case' 0 N--CA 1.497 1.882 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.484 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.65 ' SG ' ' HB2' ' A' ' 6' ' ' SER . 62.3 m -92.25 149.38 21.49 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 124.709 1.255 . . . . 0.0 113.297 -179.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 64.7 m -84.49 -15.37 46.22 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 124.385 1.053 . . . . 0.0 109.558 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -79.26 -107.48 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 68.9 m -155.23 162.15 40.99 Favored 'General case' 0 N--CA 1.498 1.966 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 46.1 t -97.9 104.43 16.46 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 124.026 0.829 . . . . 0.0 112.639 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.485 HD21 ' HB2' ' A' ' 22' ' ' TYR . 1.4 t30 -65.04 106.54 1.29 Allowed 'General case' 0 N--CA 1.496 1.84 0 CA-C-N 114.871 -1.059 . . . . 0.0 108.203 179.723 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.485 ' HB2' HD21 ' A' ' 20' ' ' ASN . 67.6 m-85 -79.67 -14.27 58.9 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 124.513 1.133 . . . . 0.0 110.242 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 73.4 p -133.44 -6.42 2.93 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 124.074 0.859 . . . . 0.0 111.025 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.489 ' HD3' ' N ' ' A' ' 24' ' ' LYS . 2.7 mppt? 57.78 41.93 24.24 Favored 'General case' 0 N--CA 1.502 2.169 0 CA-C-O 122.801 1.286 . . . . 0.0 109.719 -179.712 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 -140.04 167.01 23.12 Favored 'General case' 0 N--CA 1.499 1.998 0 CA-C-N 112.333 -2.212 . . . . 0.0 106.055 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.474 ' SG ' ' HB2' ' A' ' 6' ' ' SER . 85.1 m -81.58 -178.95 7.17 Favored 'General case' 0 N--CA 1.498 1.935 0 C-N-CA 119.445 -0.902 . . . . 0.0 113.108 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.3 m-30 -80.58 -82.82 0.11 Allowed 'General case' 0 N--CA 1.497 1.903 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.874 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.24 0 O-C-N 119.186 -2.196 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.9 p . . . . . 0 N--CA 1.49 1.537 0 CA-C-O 121.707 0.765 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.62 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 75.5 mmtt -125.77 -168.3 1.82 Allowed 'General case' 0 N--CA 1.492 1.652 0 CA-C-N 113.525 -1.67 . . . . 0.0 106.873 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.529 ' H ' ' CD ' ' A' ' 4' ' ' HYP . 69.5 m -162.39 -35.94 0.04 OUTLIER 'General case' 0 N--CA 1.503 2.191 0 CA-C-O 118.505 -0.76 . . . . 0.0 112.033 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . 0.529 ' CD ' ' H ' ' A' ' 3' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 52.38 24.69 17.48 Favored Glycine 0 N--CA 1.498 2.794 0 O-C-N 124.989 1.431 . . . . 0.0 113.147 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.619 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 67.6 m -86.72 132.46 33.86 Favored 'General case' 0 C--N 1.303 -1.416 0 CA-C-N 114.651 -0.774 . . . . 0.0 110.552 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 53.5 m -50.3 121.85 6.15 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 124.258 0.974 . . . . 0.0 112.922 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 24.1 p -150.55 -172.7 4.25 Favored 'General case' 0 N--CA 1.497 1.918 0 CA-C-N 114.238 -1.346 . . . . 0.0 109.456 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.45 ' CB ' ' CD ' ' A' ' 10' ' ' HYP . 45.7 m -142.05 -106.61 0.14 Allowed 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . 0.45 ' CD ' ' CB ' ' A' ' 9' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.9 t -68.57 -8.8 44.93 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 124.582 1.176 . . . . 0.0 111.56 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.6 m -55.17 -54.21 46.14 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 123.8 0.688 . . . . 0.0 111.145 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 53.09 23.67 3.13 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 124.659 1.225 . . . . 0.0 110.685 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -63.05 -26.88 69.05 Favored 'General case' 0 N--CA 1.495 1.815 0 CA-C-N 114.681 -1.145 . . . . 0.0 111.055 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.62 ' SG ' ' HB2' ' A' ' 2' ' ' LYS . 76.2 m -108.62 133.61 52.5 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 124.609 1.193 . . . . 0.0 112.726 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 98.2 m -71.73 -20.79 61.85 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 124.241 0.963 . . . . 0.0 110.835 179.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.405 ' CD ' ' N ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -79.22 -97.94 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 106.307 -1.738 . . . . 0.0 106.307 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.405 ' N ' ' CD ' ' A' ' 17' ' ' ARG . 64.5 m -157.54 157.95 34.73 Favored 'General case' 0 N--CA 1.5 2.028 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 54.0 t -100.43 108.82 20.9 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 124.285 0.99 . . . . 0.0 112.737 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -67.36 98.1 0.61 Allowed 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -79.21 -16.64 56.22 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 124.612 1.195 . . . . 0.0 109.571 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 73.8 p -131.37 -6.15 3.77 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 124.4 1.062 . . . . 0.0 110.171 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt 63.57 33.43 13.37 Favored 'General case' 0 N--CA 1.501 2.113 0 CA-C-O 122.318 1.056 . . . . 0.0 109.191 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 73.1 mtp180 -130.6 169.47 15.56 Favored 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 105.181 -2.155 . . . . 0.0 105.181 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 82.0 m -88.71 179.05 6.32 Favored 'General case' 0 N--CA 1.494 1.743 0 C-N-CA 119.249 -0.981 . . . . 0.0 112.913 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -73.3 -91.83 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.903 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.77 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.289 0 O-C-N 118.939 -2.351 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_