data_2lxg_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 2lxg _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.455 ' SG ' ' OG ' ' A' ' 13' ' ' SER . 23.5 p . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 121.148 0.499 . . . . 0.0 110.157 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . 0.521 ' OD1' ' N ' ' A' ' 3' ' ' ASN . 9.6 p-10 -110.19 136.67 49.04 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.247 -0.908 . . . . 0.0 110.131 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.443 ' O ' ' HD2' ' A' ' 10' ' ' ARG . 30.7 m -69.48 -4.34 18.35 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.275 -0.891 . . . . 0.0 110.522 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.3 m -75.84 -6.12 49.23 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.21 -0.931 . . . . 0.0 110.322 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.58 131.89 53.74 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.252 -0.905 . . . . 0.0 110.416 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.4 tptt -55.87 -36.33 67.48 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.243 -0.911 . . . . 0.0 109.938 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 51.2 t90 -55.99 -49.2 74.29 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.324 -0.86 . . . . 0.0 109.438 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.486 ' CB ' ' O ' ' A' ' 3' ' ' ASN . 11.2 t -54.18 -52.68 60.44 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.381 -0.824 . . . . 0.0 109.532 179.251 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.443 ' HD2' ' O ' ' A' ' 4' ' ' CYS . 16.9 mtp180 -60.05 -28.25 67.62 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.732 -0.605 . . . . 0.0 110.714 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.39 -43.1 8.93 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.088 -1.007 . . . . 0.0 110.921 -179.457 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -84.27 9.37 13.16 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.131 -0.981 . . . . 0.0 110.94 -179.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.455 ' OG ' ' SG ' ' A' ' 2' ' ' CYS . 0.0 OUTLIER -160.26 147.03 15.85 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.088 -1.008 . . . . 0.0 110.31 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.3 mmt85 -102.7 18.98 20.07 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.321 -0.862 . . . . 0.0 110.139 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 71.7 m -71.33 -14.65 62.26 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.335 -0.853 . . . . 0.0 110.163 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.606 0 O-C-N 121.224 -0.922 . . . . 0.0 110.068 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 11.2 p . . . . . 0 N--CA 1.49 1.56 0 CA-C-O 121.248 0.547 . . . . 0.0 110.153 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . 0.499 ' O ' ' CB ' ' A' ' 9' ' ' CYS . 0.7 OUTLIER -93.5 127.54 39.2 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.335 -0.853 . . . . 0.0 110.222 -179.848 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.0 m -59.93 -31.59 69.99 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.368 -0.832 . . . . 0.0 110.22 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.7 t -43.69 -40.57 4.29 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.309 -0.869 . . . . 0.0 110.483 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 7' ' ' LYS . 0.5 OUTLIER -86.88 115.44 24.29 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.246 -0.909 . . . . 0.0 110.586 -179.714 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 6' ' ' SER . 0.1 OUTLIER -44.71 -36.24 3.06 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.218 -0.926 . . . . 0.0 109.419 179.498 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.601 ' CD1' ' CD2' ' A' ' 12' ' ' HIS . 42.7 t90 -53.25 -49.7 66.33 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.381 -0.825 . . . . 0.0 109.436 179.343 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 3' ' ' ASN . 41.5 t -51.45 -51.35 55.65 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.306 -0.871 . . . . 0.0 109.408 179.141 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.436 ' HG2' ' SG ' ' A' ' 16' ' ' CYS . 69.2 mtm180 -66.78 -32.17 73.28 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.622 -0.674 . . . . 0.0 110.661 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.76 -54.56 4.61 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.208 -0.933 . . . . 0.0 110.589 -179.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.601 ' CD2' ' CD1' ' A' ' 8' ' ' TRP . 3.4 m-70 -66.7 -39.08 87.92 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.225 -0.922 . . . . 0.0 110.312 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.471 ' HB2' ' O ' ' A' ' 9' ' ' CYS . 26.9 m -109.95 -170.56 1.67 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.239 -0.913 . . . . 0.0 110.18 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.11 22.2 1.21 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.298 -0.876 . . . . 0.0 110.102 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 84.0 m -80.64 4.0 20.12 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.371 -0.831 . . . . 0.0 110.178 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.436 ' SG ' ' HG2' ' A' ' 10' ' ' ARG . 0.8 OUTLIER . . . . . 0 N--CA 1.491 1.586 0 O-C-N 121.243 -0.911 . . . . 0.0 110.206 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 5.9 p . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.261 0.553 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . 0.412 ' CG ' ' O ' ' A' ' 3' ' ' ASN . 18.7 p-10 -94.37 107.24 19.21 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.338 -0.851 . . . . 0.0 110.33 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.516 ' O ' ' NE ' ' A' ' 10' ' ' ARG . 99.2 m -46.47 -28.51 1.41 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.27 -0.894 . . . . 0.0 110.015 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -49.41 -29.17 5.97 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.253 -0.904 . . . . 0.0 110.1 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 7' ' ' LYS . 0.4 OUTLIER -91.48 120.11 32.02 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.22 -0.925 . . . . 0.0 110.257 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.479 ' HA ' ' HD2' ' A' ' 10' ' ' ARG . 4.1 mtpt -43.19 -44.84 5.37 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.286 -0.884 . . . . 0.0 109.76 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.488 ' CD1' ' CD2' ' A' ' 12' ' ' HIS . 42.3 t90 -50.94 -56.44 12.35 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.266 -0.896 . . . . 0.0 109.347 179.494 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.8 t -45.11 -47.31 12.08 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.297 -0.877 . . . . 0.0 109.472 179.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.516 ' NE ' ' O ' ' A' ' 4' ' ' CYS . 6.5 mtt-85 -61.47 -39.33 90.5 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.623 -0.673 . . . . 0.0 110.249 179.677 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -94.25 13.46 23.35 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.313 -0.867 . . . . 0.0 110.505 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.488 ' CD2' ' CD1' ' A' ' 8' ' ' TRP . 4.5 m-70 -136.67 20.62 3.09 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.151 -0.968 . . . . 0.0 110.298 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.8 m -157.66 -170.17 3.11 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.338 -0.852 . . . . 0.0 110.249 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -136.11 2.52 2.81 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.391 -0.818 . . . . 0.0 110.318 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.2 p -84.47 -27.13 27.7 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.295 -0.878 . . . . 0.0 110.579 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 84.4 m . . . . . 0 N--CA 1.486 1.362 0 O-C-N 121.061 -1.025 . . . . 0.0 110.367 -179.871 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.3 p . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 121.321 0.581 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . 0.501 ' O ' ' CB ' ' A' ' 9' ' ' CYS . 19.6 p-10 -94.08 135.4 35.48 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.27 -0.894 . . . . 0.0 110.574 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 94.6 m -70.25 -7.25 40.75 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.731 -0.606 . . . . 0.0 110.272 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.22 -20.57 59.38 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.326 -0.859 . . . . 0.0 110.569 -179.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 7' ' ' LYS . 0.3 OUTLIER -113.08 125.17 54.08 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.997 -1.065 . . . . 0.0 110.825 -179.537 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 6' ' ' SER . 15.2 mttp -43.27 -43.07 4.68 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.325 -0.86 . . . . 0.0 109.762 179.346 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.681 ' CD1' ' CD2' ' A' ' 12' ' ' HIS . 46.1 t90 -49.17 -52.13 28.37 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.326 -0.859 . . . . 0.0 109.757 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.501 ' CB ' ' O ' ' A' ' 3' ' ' ASN . 14.6 t -52.65 -45.1 66.56 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.293 -0.879 . . . . 0.0 109.946 179.516 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.0 mtm180 -69.45 -23.81 63.72 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.501 -0.75 . . . . 0.0 110.517 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -98.83 -20.22 16.98 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.174 -0.954 . . . . 0.0 110.675 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.681 ' CD2' ' CD1' ' A' ' 8' ' ' TRP . 11.9 m-70 -104.25 -4.36 23.12 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.076 -1.015 . . . . 0.0 110.668 -179.706 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.41 156.18 43.6 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.209 -0.932 . . . . 0.0 110.077 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.27 -2.46 29.04 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.194 -0.942 . . . . 0.0 110.284 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.5 m -55.07 -34.76 63.86 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.157 -0.964 . . . . 0.0 109.809 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 85.6 m . . . . . 0 N--CA 1.487 1.379 0 O-C-N 121.293 -0.879 . . . . 0.0 110.194 179.774 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 7.3 p . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 121.348 0.594 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -100.55 135.24 42.3 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.378 -0.827 . . . . 0.0 110.363 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.462 ' O ' ' HD2' ' A' ' 10' ' ' ARG . 86.9 m -64.03 -14.32 53.47 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.544 -0.722 . . . . 0.0 110.064 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.1 t -66.28 -11.26 49.41 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.253 -0.905 . . . . 0.0 109.926 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.76 118.84 37.59 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.232 -0.917 . . . . 0.0 110.293 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.453 ' O ' ' HB2' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -49.27 -36.69 21.32 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.319 -0.863 . . . . 0.0 109.913 179.739 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.513 ' CD1' ' CD2' ' A' ' 12' ' ' HIS . 45.0 t90 -56.58 -57.54 11.91 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.262 -0.899 . . . . 0.0 109.447 179.573 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.446 ' O ' ' OG ' ' A' ' 13' ' ' SER . 25.2 t -46.09 -54.95 7.65 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.27 -0.894 . . . . 0.0 109.435 179.31 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.462 ' HD2' ' O ' ' A' ' 4' ' ' CYS . 34.4 mtp180 -59.92 -29.89 68.68 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.611 -0.68 . . . . 0.0 110.342 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.453 ' HB2' ' O ' ' A' ' 7' ' ' LYS . 0.3 OUTLIER -100.12 6.79 44.91 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.288 -0.882 . . . . 0.0 110.428 -179.807 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.513 ' CD2' ' CD1' ' A' ' 8' ' ' TRP . 7.4 m-70 -132.9 13.11 4.35 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.149 -0.969 . . . . 0.0 110.475 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.446 ' OG ' ' O ' ' A' ' 9' ' ' CYS . 9.4 p -172.94 158.98 3.94 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.14 -0.975 . . . . 0.0 110.309 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.92 0.65 35.73 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.365 -0.834 . . . . 0.0 110.092 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 60.5 m -56.7 -16.94 7.27 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.325 -0.86 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.267 -0.896 . . . . 0.0 110.182 -179.978 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.4 ' C ' ' SG ' ' A' ' 9' ' ' CYS . 7.1 p . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.235 0.54 . . . . 0.0 110.14 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 20.5 p-10 -85.63 117.05 24.29 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.237 -0.914 . . . . 0.0 110.252 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.518 ' O ' ' NE ' ' A' ' 10' ' ' ARG . 2.1 m -54.34 -27.08 33.52 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.336 -0.853 . . . . 0.0 110.256 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 4' ' ' CYS . 59.8 m -42.72 -34.87 0.98 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.165 -0.959 . . . . 0.0 110.379 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 7' ' ' LYS . 0.5 OUTLIER -90.84 119.76 31.31 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.244 -0.91 . . . . 0.0 110.355 -179.832 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.516 ' HA ' ' CD ' ' A' ' 10' ' ' ARG . 2.4 mtmm -42.19 -40.74 2.47 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.542 -0.724 . . . . 0.0 109.735 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.526 ' O ' ' N ' ' A' ' 12' ' ' HIS . 45.3 t90 -52.53 -57.4 10.07 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.349 -0.844 . . . . 0.0 109.505 179.496 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.422 ' C ' ' O ' ' A' ' 8' ' ' TRP . 44.5 t -44.51 -46.36 9.74 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.336 -0.852 . . . . 0.0 109.235 179.376 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.518 ' NE ' ' O ' ' A' ' 4' ' ' CYS . 1.4 mtt-85 -62.91 -34.89 78.38 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.648 -0.657 . . . . 0.0 110.311 179.709 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -100.16 2.25 42.81 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.143 -0.973 . . . . 0.0 110.748 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.526 ' N ' ' O ' ' A' ' 8' ' ' TRP . 5.3 m-70 -134.04 38.85 3.15 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.053 -1.03 . . . . 0.0 110.23 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -171.1 -178.49 2.45 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.24 -0.913 . . . . 0.0 110.25 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.36 11.05 8.04 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.458 -0.776 . . . . 0.0 109.558 179.264 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.4 m -76.11 -27.83 57.25 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.42 -0.8 . . . . 0.0 109.897 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.33 -0.856 . . . . 0.0 110.208 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.5 p . . . . . 0 N--CA 1.49 1.551 0 CA-C-O 121.44 0.638 . . . . 0.0 110.624 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . 0.458 ' O ' ' SG ' ' A' ' 9' ' ' CYS . 18.7 p-10 -72.24 132.1 43.62 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.432 -0.792 . . . . 0.0 110.204 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.402 ' O ' ' HD2' ' A' ' 10' ' ' ARG . 13.6 m -78.38 6.62 8.01 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.209 -0.932 . . . . 0.0 110.543 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 m -79.01 -18.63 53.28 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.182 -0.949 . . . . 0.0 110.265 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.08 125.69 51.38 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.237 -0.915 . . . . 0.0 110.523 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.6 tmtt? -50.89 -26.91 6.44 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.218 -0.926 . . . . 0.0 109.395 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.626 ' CD1' ' CD2' ' A' ' 12' ' ' HIS . 40.9 t90 -62.01 -55.95 24.05 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.301 -0.875 . . . . 0.0 108.973 179.266 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.458 ' SG ' ' O ' ' A' ' 3' ' ' ASN . 12.1 t -51.04 -57.54 8.39 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.442 -0.786 . . . . 0.0 109.76 179.144 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.447 ' HG2' ' SG ' ' A' ' 16' ' ' CYS . 14.3 mtp85 -50.81 -32.88 21.38 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.502 -0.749 . . . . 0.0 110.24 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -100.45 -2.97 31.89 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.237 -0.915 . . . . 0.0 110.708 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.626 ' CD2' ' CD1' ' A' ' 8' ' ' TRP . 6.8 m-70 -116.65 28.18 8.72 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.028 -1.045 . . . . 0.0 110.495 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.1 p -167.98 160.6 12.23 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.072 -1.017 . . . . 0.0 110.455 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.71 17.32 22.73 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.389 -0.819 . . . . 0.0 109.42 179.352 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.7 p -97.46 -37.22 10.07 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.518 -0.739 . . . . 0.0 110.56 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.447 ' SG ' ' HG2' ' A' ' 10' ' ' ARG . 5.5 t . . . . . 0 N--CA 1.491 1.591 0 O-C-N 121.146 -0.971 . . . . 0.0 110.198 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 6.2 p . . . . . 0 N--CA 1.488 1.451 0 CA-C-O 121.455 0.645 . . . . 0.0 110.339 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -80.39 126.73 31.55 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.477 -0.764 . . . . 0.0 110.176 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.4 ' O ' ' HD2' ' A' ' 10' ' ' ARG . 25.9 m -63.1 -13.8 40.76 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.258 -0.901 . . . . 0.0 110.116 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.9 p -49.04 -29.53 5.13 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.336 -0.852 . . . . 0.0 110.446 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.92 128.29 53.69 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.185 -0.947 . . . . 0.0 110.593 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.0 mttm -53.71 -25.26 17.66 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.391 -0.818 . . . . 0.0 109.409 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.48 ' O ' ' HB2' ' A' ' 12' ' ' HIS . 23.4 t90 -60.06 -49.54 77.25 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.431 -0.793 . . . . 0.0 109.22 179.183 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.478 ' N ' ' CE3' ' A' ' 8' ' ' TRP . 25.2 t -55.93 -54.34 45.93 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.492 -0.755 . . . . 0.0 109.718 179.435 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.436 ' HG2' ' SG ' ' A' ' 16' ' ' CYS . 35.2 mtp180 -58.32 -30.88 67.03 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.657 -0.652 . . . . 0.0 110.651 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -89.44 -52.34 5.08 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.957 -1.09 . . . . 0.0 110.33 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.48 ' HB2' ' O ' ' A' ' 8' ' ' TRP . 3.5 m-70 -67.55 -7.01 22.6 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.299 -0.876 . . . . 0.0 110.26 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -140.66 174.01 10.94 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.256 -0.903 . . . . 0.0 110.315 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.8 ptp85 -132.43 28.1 4.37 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.24 -0.912 . . . . 0.0 110.36 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 83.2 m -84.83 -31.61 23.73 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.259 -0.901 . . . . 0.0 109.891 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.436 ' SG ' ' HG2' ' A' ' 10' ' ' ARG . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.597 0 O-C-N 121.343 -0.848 . . . . 0.0 110.281 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.436 ' SG ' ' OG ' ' A' ' 13' ' ' SER . 6.2 p . . . . . 0 N--CA 1.493 1.688 0 CA-C-O 121.251 0.548 . . . . 0.0 110.143 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . 0.496 ' O ' ' CB ' ' A' ' 9' ' ' CYS . 10.1 p-10 -97.79 123.25 41.66 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.145 -0.972 . . . . 0.0 110.486 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.1 m -60.62 -27.24 67.61 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.328 -0.857 . . . . 0.0 110.064 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -47.11 -34.29 5.86 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.34 -0.85 . . . . 0.0 110.28 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.17 120.18 34.94 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.207 -0.933 . . . . 0.0 110.208 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.434 ' HD2' ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -45.96 -44.43 14.9 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.342 -0.849 . . . . 0.0 109.873 179.849 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.619 ' NE1' ' CD2' ' A' ' 12' ' ' HIS . 42.5 t90 -47.22 -54.26 11.21 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.236 -0.915 . . . . 0.0 109.074 179.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 3' ' ' ASN . 48.6 t -44.22 -51.1 8.49 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.43 -0.794 . . . . 0.0 109.083 179.068 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.444 ' HG2' ' SG ' ' A' ' 16' ' ' CYS . 41.6 mtt180 -63.01 -26.84 69.04 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.634 -0.666 . . . . 0.0 110.425 179.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 8' ' ' TRP . 0.4 OUTLIER -89.89 -30.88 17.59 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.257 -0.902 . . . . 0.0 110.675 -179.527 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.619 ' CD2' ' NE1' ' A' ' 8' ' ' TRP . 5.8 m-70 -98.32 11.49 37.83 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.026 -1.046 . . . . 0.0 110.454 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.473 ' HB2' ' O ' ' A' ' 9' ' ' CYS . 50.8 m -144.65 -178.34 5.96 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.196 -0.94 . . . . 0.0 110.249 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.2 ptp180 -138.63 18.44 2.7 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.226 -0.921 . . . . 0.0 110.357 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.0 p -86.48 -24.67 25.51 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.257 -0.902 . . . . 0.0 110.283 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.444 ' SG ' ' HG2' ' A' ' 10' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.644 0 O-C-N 121.205 -0.934 . . . . 0.0 110.18 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.422 ' HB2' ' HB2' ' A' ' 9' ' ' CYS . 26.9 p . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 121.197 0.522 . . . . 0.0 110.342 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 3' ' ' ASN . 19.9 p-10 -120.59 146.94 45.84 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.162 -0.961 . . . . 0.0 110.625 -179.603 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 17.1 m -68.91 -17.56 63.98 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.468 -0.77 . . . . 0.0 110.529 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.83 -9.48 54.89 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.161 -0.962 . . . . 0.0 110.727 -179.623 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -115.59 119.5 36.34 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.073 -1.017 . . . . 0.0 110.345 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.91 -38.6 51.02 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.304 -0.873 . . . . 0.0 109.857 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.568 ' NE1' ' CG ' ' A' ' 12' ' ' HIS . 52.9 t90 -54.97 -53.89 49.89 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.224 -0.922 . . . . 0.0 109.145 179.37 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.451 ' SG ' ' O ' ' A' ' 3' ' ' ASN . 5.9 t -45.32 -54.44 7.17 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.351 -0.843 . . . . 0.0 109.136 178.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.517 ' CD ' ' SG ' ' A' ' 16' ' ' CYS . 5.2 mtm180 -61.74 -22.74 65.64 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.891 -0.506 . . . . 0.0 110.715 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -97.68 -50.15 4.58 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.229 -0.919 . . . . 0.0 111.121 -179.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.568 ' CG ' ' NE1' ' A' ' 8' ' ' TRP . 7.2 m-70 -81.4 2.12 29.92 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.158 -0.964 . . . . 0.0 110.898 -179.266 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.431 ' OG ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -149.79 178.11 9.19 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.079 -1.013 . . . . 0.0 110.436 -179.827 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.8 ptt180 -128.74 7.69 5.71 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.351 -0.843 . . . . 0.0 110.204 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.6 t -59.82 -24.59 64.3 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.303 -0.873 . . . . 0.0 109.911 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.517 ' SG ' ' CD ' ' A' ' 10' ' ' ARG . 4.3 t . . . . . 0 N--CA 1.49 1.572 0 O-C-N 121.312 -0.868 . . . . 0.0 110.203 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.417 ' C ' ' SG ' ' A' ' 9' ' ' CYS . 9.8 p . . . . . 0 N--CA 1.49 1.563 0 CA-C-O 121.36 0.6 . . . . 0.0 110.192 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . 0.438 ' O ' ' CB ' ' A' ' 9' ' ' CYS . 0.7 OUTLIER -81.33 108.23 14.78 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.406 -0.809 . . . . 0.0 110.114 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 40.0 m -58.25 -15.05 8.62 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.236 -0.915 . . . . 0.0 110.279 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.3 t -65.82 -8.92 24.36 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.342 -0.849 . . . . 0.0 110.33 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -114.61 125.7 54.07 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.257 -0.902 . . . . 0.0 110.417 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 6' ' ' SER . 0.3 OUTLIER -43.68 -35.45 1.81 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.307 -0.871 . . . . 0.0 110.045 179.882 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.504 ' O ' ' N ' ' A' ' 12' ' ' HIS . 77.3 t90 -57.74 -51.9 67.65 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.25 -0.906 . . . . 0.0 109.844 179.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.455 ' O ' ' OG ' ' A' ' 13' ' ' SER . 49.4 t -54.47 -52.53 61.58 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.289 -0.882 . . . . 0.0 109.672 179.62 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 40.9 mtp85 -59.03 -27.87 65.88 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.373 -0.83 . . . . 0.0 110.467 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.36 -19.09 18.73 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.196 -0.94 . . . . 0.0 110.719 -179.702 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.504 ' N ' ' O ' ' A' ' 8' ' ' TRP . 5.9 m-70 -108.73 27.83 9.04 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.082 -1.011 . . . . 0.0 110.545 -179.67 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.455 ' OG ' ' O ' ' A' ' 9' ' ' CYS . 59.5 p -170.13 174.33 5.47 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.231 -0.918 . . . . 0.0 110.33 179.734 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.3 mtm180 -122.38 11.73 10.04 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.433 -0.792 . . . . 0.0 109.391 179.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -75.41 -40.37 57.9 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.386 -0.821 . . . . 0.0 110.225 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 58.0 m . . . . . 0 N--CA 1.487 1.408 0 O-C-N 121.271 -0.893 . . . . 0.0 110.225 179.906 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 6.4 p . . . . . 0 N--CA 1.493 1.688 0 CA-C-O 121.227 0.537 . . . . 0.0 110.142 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . 0.468 ' O ' ' CB ' ' A' ' 9' ' ' CYS . 2.9 p-10 -98.43 145.15 27.03 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.213 -0.93 . . . . 0.0 110.265 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 50.6 m -71.26 -24.78 62.24 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.424 -0.798 . . . . 0.0 110.543 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -48.25 -27.17 2.31 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.206 -0.934 . . . . 0.0 110.404 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -99.65 122.35 42.54 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.112 -0.992 . . . . 0.0 110.364 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.432 ' HA ' ' HD3' ' A' ' 10' ' ' ARG . 9.6 tttt -52.51 -34.62 50.48 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.319 -0.863 . . . . 0.0 109.475 179.675 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.578 ' CD1' ' CD2' ' A' ' 12' ' ' HIS . 45.2 t90 -55.41 -55.65 29.25 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.306 -0.871 . . . . 0.0 109.187 179.317 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.468 ' CB ' ' O ' ' A' ' 3' ' ' ASN . 54.0 t -45.15 -49.33 12.04 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.329 -0.857 . . . . 0.0 109.468 179.148 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.432 ' HD3' ' HA ' ' A' ' 7' ' ' LYS . 53.8 mtp85 -63.21 -30.76 71.84 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.64 -0.662 . . . . 0.0 110.478 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.33 -1.19 36.78 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.263 -0.898 . . . . 0.0 110.925 -179.457 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.578 ' CD2' ' CD1' ' A' ' 8' ' ' TRP . 5.9 m-70 -127.91 7.78 6.17 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.982 -1.074 . . . . 0.0 110.545 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.45 ' HB2' ' O ' ' A' ' 9' ' ' CYS . 58.0 m -148.18 -163.61 1.82 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.153 -0.967 . . . . 0.0 110.418 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.82 10.21 2.41 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.334 -0.854 . . . . 0.0 110.156 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.3 m -67.46 -45.08 77.02 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.22 -0.925 . . . . 0.0 110.122 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.402 ' SG ' ' CG ' ' A' ' 10' ' ' ARG . 98.3 m . . . . . 0 C--N 1.304 -1.378 0 O-C-N 121.156 -0.965 . . . . 0.0 110.271 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.421 ' SG ' ' OG ' ' A' ' 13' ' ' SER . 20.7 p . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 121.334 0.588 . . . . 0.0 110.316 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -90.62 145.04 25.17 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.385 -0.822 . . . . 0.0 110.211 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.4 m -70.82 -7.83 48.17 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.293 -0.879 . . . . 0.0 110.202 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.36 -8.73 52.87 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.257 -0.902 . . . . 0.0 110.31 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.53 123.86 51.09 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.233 -0.917 . . . . 0.0 110.365 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.04 -38.47 51.65 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.24 -0.913 . . . . 0.0 109.689 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.56 ' CD1' ' CD2' ' A' ' 12' ' ' HIS . 57.0 t90 -57.32 -56.58 19.94 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.24 -0.912 . . . . 0.0 109.377 179.48 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.496 ' O ' ' OG ' ' A' ' 13' ' ' SER . 42.7 t -46.1 -54.23 8.93 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.362 -0.836 . . . . 0.0 109.397 179.346 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.7 mtp180 -56.97 -31.8 65.41 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.365 -0.835 . . . . 0.0 110.167 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.7 15.67 27.47 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.323 -0.861 . . . . 0.0 110.926 -179.664 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.56 ' CD2' ' CD1' ' A' ' 8' ' ' TRP . 12.4 m-70 -145.05 17.74 1.58 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.877 -1.14 . . . . 0.0 111.263 -179.5 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.496 ' OG ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -160.45 -175.58 5.1 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.91 -1.119 . . . . 0.0 110.436 179.716 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.18 -12.55 9.44 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.323 -0.861 . . . . 0.0 110.348 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -46.24 -34.74 4.63 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.245 -0.91 . . . . 0.0 110.258 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.666 0 O-C-N 121.184 -0.947 . . . . 0.0 110.275 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.437 ' HB2' ' HB2' ' A' ' 9' ' ' CYS . 22.7 p . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.311 0.577 . . . . 0.0 110.019 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . 0.5 ' N ' ' OD1' ' A' ' 3' ' ' ASN . 4.4 p-10 -116.55 132.75 56.6 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.183 -0.948 . . . . 0.0 110.3 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.475 ' O ' ' HD2' ' A' ' 10' ' ' ARG . 10.1 m -58.0 -14.25 6.15 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.338 -0.851 . . . . 0.0 110.228 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.3 -15.21 62.29 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.073 -1.017 . . . . 0.0 109.8 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.55 122.38 47.52 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.365 -0.835 . . . . 0.0 110.26 179.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.464 ' HA ' ' HD3' ' A' ' 10' ' ' ARG . 25.8 mttp -51.62 -39.83 58.75 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.334 -0.854 . . . . 0.0 109.886 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.692 ' CD1' ' CD2' ' A' ' 12' ' ' HIS . 56.8 t90 -52.28 -54.76 27.3 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.275 -0.891 . . . . 0.0 109.444 179.513 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.464 ' O ' ' OG ' ' A' ' 13' ' ' SER . 8.0 t -45.23 -53.23 8.53 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.339 -0.85 . . . . 0.0 108.964 179.084 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.475 ' HD2' ' O ' ' A' ' 4' ' ' CYS . 17.6 mtp180 -59.84 -32.73 70.95 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.77 -0.581 . . . . 0.0 110.531 179.714 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.25 7.37 46.71 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.2 -0.937 . . . . 0.0 110.557 -179.682 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.692 ' CD2' ' CD1' ' A' ' 8' ' ' TRP . 21.3 m-70 -134.39 22.73 3.73 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.189 -0.945 . . . . 0.0 110.255 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.464 ' OG ' ' O ' ' A' ' 9' ' ' CYS . 0.5 OUTLIER 176.54 143.05 0.07 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.32 -0.862 . . . . 0.0 110.182 179.898 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 15' ' ' CYS . 10.5 mtp180 -76.03 1.73 14.67 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.175 -0.953 . . . . 0.0 110.429 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.425 ' C ' ' O ' ' A' ' 14' ' ' ARG . 0.1 OUTLIER -42.97 -62.99 0.88 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.232 -0.918 . . . . 0.0 110.4 -179.849 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.648 0 O-C-N 121.171 -0.956 . . . . 0.0 110.192 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 22.4 p . . . . . 0 N--CA 1.494 1.749 0 CA-C-O 121.23 0.538 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . 0.491 ' OD1' ' N ' ' A' ' 3' ' ' ASN . 17.6 p-10 -95.78 136.52 36.09 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.236 -0.915 . . . . 0.0 110.463 -179.751 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.428 ' O ' ' NE ' ' A' ' 10' ' ' ARG . 22.9 m -67.14 -11.19 56.58 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.344 -0.847 . . . . 0.0 110.366 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.3 m -69.14 -6.56 29.39 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.305 -0.872 . . . . 0.0 110.452 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 7' ' ' LYS . 0.4 OUTLIER -115.54 117.51 30.54 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.119 -0.988 . . . . 0.0 110.26 -179.817 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 6' ' ' SER . 0.0 OUTLIER -44.7 -40.85 6.29 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.202 -0.936 . . . . 0.0 109.755 179.776 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.518 ' O ' ' N ' ' A' ' 12' ' ' HIS . 40.3 t90 -56.61 -54.66 43.37 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.236 -0.915 . . . . 0.0 109.372 179.52 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.461 ' N ' ' CE3' ' A' ' 8' ' ' TRP . 37.2 t -45.59 -53.55 8.95 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.313 -0.867 . . . . 0.0 109.524 179.199 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.428 ' NE ' ' O ' ' A' ' 4' ' ' CYS . 58.5 mtm180 -60.64 -29.76 69.46 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.655 -0.653 . . . . 0.0 110.152 179.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -99.85 1.22 42.76 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.376 -0.827 . . . . 0.0 110.795 -179.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.518 ' N ' ' O ' ' A' ' 8' ' ' TRP . 11.1 m-70 -135.2 33.21 3.1 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.072 -1.017 . . . . 0.0 110.707 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.453 ' OG ' ' O ' ' A' ' 9' ' ' CYS . 64.2 p -166.34 -175.47 3.27 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.159 -0.963 . . . . 0.0 110.445 179.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.93 6.05 5.46 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.586 -0.696 . . . . 0.0 109.549 179.332 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.12 -37.57 81.27 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.278 -0.889 . . . . 0.0 110.461 -179.689 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.589 0 O-C-N 121.216 -0.928 . . . . 0.0 110.259 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 5.1 p . . . . . 0 N--CA 1.492 1.673 0 CA-C-O 121.259 0.552 . . . . 0.0 110.461 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 23.4 p-10 -86.28 122.23 29.97 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.238 -0.914 . . . . 0.0 110.379 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.463 ' O ' ' HD2' ' A' ' 10' ' ' ARG . 90.2 m -60.25 -20.14 57.68 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.588 -0.695 . . . . 0.0 110.35 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.9 m -56.74 -15.91 5.49 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.157 -0.965 . . . . 0.0 110.507 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 7' ' ' LYS . 0.5 OUTLIER -105.91 118.32 36.3 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.098 -1.001 . . . . 0.0 110.705 -179.706 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 6' ' ' SER . 16.2 tttm -41.04 -46.11 2.82 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.325 -0.859 . . . . 0.0 110.103 179.542 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.696 ' CD1' ' CD2' ' A' ' 12' ' ' HIS . 43.8 t90 -51.03 -56.12 14.1 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.389 -0.819 . . . . 0.0 109.548 179.498 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.462 ' N ' ' CE3' ' A' ' 8' ' ' TRP . 49.5 t -47.82 -46.63 31.0 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.328 -0.858 . . . . 0.0 110.025 179.391 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.463 ' HD2' ' O ' ' A' ' 4' ' ' CYS . 24.3 mtp180 -66.17 -27.71 68.22 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.581 -0.699 . . . . 0.0 110.777 -179.576 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 11' ' ' ASP . 4.6 m-20 -99.61 -21.52 15.83 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.073 -1.017 . . . . 0.0 110.88 -179.398 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.696 ' CD2' ' CD1' ' A' ' 8' ' ' TRP . 21.3 m-70 -99.33 9.46 43.29 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.076 -1.015 . . . . 0.0 110.54 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -148.91 166.51 28.36 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.139 -0.976 . . . . 0.0 110.158 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.9 ppt_? -119.83 7.54 10.99 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.129 -0.982 . . . . 0.0 110.177 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 27.8 p -92.44 -13.69 29.62 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.248 -0.907 . . . . 0.0 110.144 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.49 1.567 0 O-C-N 121.227 -0.921 . . . . 0.0 110.262 -179.858 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.478 ' SG ' ' CB ' ' A' ' 13' ' ' SER . 23.0 p . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 121.252 0.549 . . . . 0.0 110.233 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -108.0 122.25 46.46 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.228 -0.92 . . . . 0.0 110.294 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.492 ' O ' ' CD ' ' A' ' 10' ' ' ARG . 66.0 m -54.04 -30.62 48.52 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.332 -0.855 . . . . 0.0 110.293 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.25 -28.67 0.83 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.226 -0.921 . . . . 0.0 110.277 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.01 125.42 48.69 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.226 -0.921 . . . . 0.0 110.51 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.24 -32.19 10.2 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.241 -0.912 . . . . 0.0 109.393 179.448 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.53 ' O ' ' N ' ' A' ' 12' ' ' HIS . 78.3 t90 -56.05 -54.31 46.5 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.493 -0.754 . . . . 0.0 109.499 179.519 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 38.4 t -51.52 -52.12 49.57 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.383 -0.823 . . . . 0.0 109.957 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.492 ' CD ' ' O ' ' A' ' 4' ' ' CYS . 23.8 mtp180 -62.53 -29.47 70.59 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.576 -0.702 . . . . 0.0 111.197 -179.6 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.41 -13.3 18.79 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.963 -1.085 . . . . 0.0 111.784 -178.775 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.53 ' N ' ' O ' ' A' ' 8' ' ' TRP . 4.5 m-70 -104.93 -45.7 4.48 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.769 -1.207 . . . . 0.0 110.656 -179.699 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.478 ' CB ' ' SG ' ' A' ' 2' ' ' CYS . 15.2 m -93.0 177.7 5.99 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.205 -0.934 . . . . 0.0 110.551 -179.648 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.74 11.06 8.42 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.365 -0.834 . . . . 0.0 110.021 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.6 p -85.52 -18.95 31.98 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.212 -0.93 . . . . 0.0 110.204 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.459 ' SG ' ' HG2' ' A' ' 10' ' ' ARG . 7.4 t . . . . . 0 N--CA 1.49 1.526 0 O-C-N 121.15 -0.968 . . . . 0.0 110.184 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.462 ' SG ' ' HB2' ' A' ' 13' ' ' SER . 6.8 p . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 121.201 0.524 . . . . 0.0 110.159 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . 0.486 ' OD1' ' N ' ' A' ' 3' ' ' ASN . 16.0 p-10 -84.66 144.68 28.42 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.333 -0.854 . . . . 0.0 110.224 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 36.3 m -68.55 -37.01 79.57 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.47 -0.768 . . . . 0.0 110.155 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -43.62 -30.96 0.67 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.286 -0.884 . . . . 0.0 110.438 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.88 112.32 21.64 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.262 -0.899 . . . . 0.0 110.425 -179.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.5 mmmt -47.4 -40.71 18.37 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.394 -0.816 . . . . 0.0 109.836 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.522 ' CE3' ' N ' ' A' ' 9' ' ' CYS . 36.5 t90 -52.4 -55.63 20.44 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.21 -0.931 . . . . 0.0 109.507 179.616 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.522 ' N ' ' CE3' ' A' ' 8' ' ' TRP . 41.2 t -45.87 -50.54 14.25 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.124 -0.985 . . . . 0.0 109.877 179.399 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.411 ' HG2' ' SG ' ' A' ' 16' ' ' CYS . 67.3 mtp85 -64.75 -37.95 89.35 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.735 -0.603 . . . . 0.0 111.286 -179.368 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.82 -31.35 20.88 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.985 -1.072 . . . . 0.0 111.057 -179.238 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.517 ' CG ' ' NE1' ' A' ' 8' ' ' TRP . 3.6 m-70 -91.47 -64.97 1.05 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.286 -0.884 . . . . 0.0 110.682 -179.347 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.462 ' HB2' ' SG ' ' A' ' 2' ' ' CYS . 0.4 OUTLIER -89.66 164.33 14.76 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.217 -0.927 . . . . 0.0 110.394 -179.575 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -111.54 2.52 17.44 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.346 -0.846 . . . . 0.0 109.877 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.2 m -54.97 -17.39 3.67 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.297 -0.877 . . . . 0.0 110.041 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.411 ' SG ' ' HG2' ' A' ' 10' ' ' ARG . 16.0 t . . . . . 0 N--CA 1.49 1.573 0 O-C-N 121.249 -0.907 . . . . 0.0 110.19 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.419 ' HB2' ' HB2' ' A' ' 9' ' ' CYS . 22.2 p . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.16 0.505 . . . . 0.0 110.234 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -119.38 151.85 37.81 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.263 -0.898 . . . . 0.0 110.574 -179.671 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.1 m -71.23 -12.99 61.76 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.423 -0.798 . . . . 0.0 110.135 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.8 t -72.13 -18.6 61.88 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.309 -0.869 . . . . 0.0 110.398 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -102.24 121.89 43.13 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.211 -0.931 . . . . 0.0 110.334 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.2 tttp -55.36 -42.03 73.36 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.247 -0.908 . . . . 0.0 110.021 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.526 ' O ' ' N ' ' A' ' 12' ' ' HIS . 28.2 t90 -52.85 -55.74 20.91 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.18 -0.95 . . . . 0.0 109.204 179.482 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.517 ' N ' ' CE3' ' A' ' 8' ' ' TRP . 6.0 t -44.2 -54.34 5.74 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.307 -0.871 . . . . 0.0 109.268 178.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.522 ' HG2' ' CB ' ' A' ' 16' ' ' CYS . 45.9 mtm180 -61.54 -30.53 70.71 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.814 -0.554 . . . . 0.0 110.537 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.34 3.68 43.47 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.308 -0.87 . . . . 0.0 111.027 -179.374 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.526 ' N ' ' O ' ' A' ' 8' ' ' TRP . 6.3 m-70 -134.36 -5.54 2.62 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.977 -1.077 . . . . 0.0 111.052 -179.687 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -131.49 -176.11 3.92 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.922 -1.111 . . . . 0.0 110.418 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.6 ptt180 -124.83 16.25 8.65 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.248 -0.907 . . . . 0.0 110.254 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -80.48 -34.76 35.56 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.25 -0.906 . . . . 0.0 109.899 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.522 ' CB ' ' HG2' ' A' ' 10' ' ' ARG . 1.1 t . . . . . 0 N--CA 1.492 1.653 0 O-C-N 121.293 -0.88 . . . . 0.0 110.069 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 5.4 p . . . . . 0 N--CA 1.493 1.705 0 CA-C-O 121.381 0.61 . . . . 0.0 110.193 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -86.69 118.71 26.27 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.265 -0.897 . . . . 0.0 110.461 -179.68 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.7 m -56.27 -19.66 15.11 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.264 -0.897 . . . . 0.0 110.215 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.37 -44.17 79.91 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.312 -0.867 . . . . 0.0 110.29 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.84 121.76 26.36 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.293 -0.88 . . . . 0.0 110.2 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.4 tttp -49.03 -38.17 22.89 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.394 -0.817 . . . . 0.0 109.924 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.574 ' CD1' ' CD2' ' A' ' 12' ' ' HIS . 44.3 t90 -49.94 -49.03 51.48 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.287 -0.883 . . . . 0.0 109.398 179.59 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.462 ' O ' ' HB2' ' A' ' 13' ' ' SER . 42.8 t -54.28 -50.13 68.0 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.331 -0.856 . . . . 0.0 109.682 179.377 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.462 ' HG2' ' SG ' ' A' ' 16' ' ' CYS . 75.8 mtm180 -68.16 -23.52 64.88 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.554 -0.716 . . . . 0.0 110.801 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -98.39 -23.55 15.55 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.031 -1.043 . . . . 0.0 110.914 -179.277 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.574 ' CD2' ' CD1' ' A' ' 8' ' ' TRP . 14.0 m-70 -101.26 -31.91 10.76 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.119 -0.988 . . . . 0.0 110.544 -179.642 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.462 ' HB2' ' O ' ' A' ' 9' ' ' CYS . 68.7 m -103.96 -173.22 2.26 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.129 -0.982 . . . . 0.0 110.296 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.5 mtp85 -130.67 -2.34 4.24 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.27 -0.894 . . . . 0.0 110.37 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.7 m -55.35 -43.45 75.05 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.2 -0.937 . . . . 0.0 110.43 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.462 ' SG ' ' HG2' ' A' ' 10' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.608 0 O-C-N 121.121 -0.987 . . . . 0.0 110.248 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 2.0 t . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.182 0.515 . . . . 0.0 110.15 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.455 ' SG ' ' OG ' ' A' ' 13' ' ' SER . 23.5 p -72.82 -169.19 0.54 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.233 -0.917 . . . . 0.0 110.157 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.521 ' OD1' ' N ' ' A' ' 3' ' ' ASN . 9.6 p-10 -110.19 136.67 49.04 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.247 -0.908 . . . . 0.0 110.131 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.443 ' O ' ' HD2' ' A' ' 10' ' ' ARG . 30.7 m -69.48 -4.34 18.35 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.275 -0.891 . . . . 0.0 110.522 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.3 m -75.84 -6.12 49.23 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.21 -0.931 . . . . 0.0 110.322 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.58 131.89 53.74 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.252 -0.905 . . . . 0.0 110.416 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.4 tptt -55.87 -36.33 67.48 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.243 -0.911 . . . . 0.0 109.938 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 51.2 t90 -55.99 -49.2 74.29 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.324 -0.86 . . . . 0.0 109.438 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.486 ' CB ' ' O ' ' A' ' 3' ' ' ASN . 11.2 t -54.18 -52.68 60.44 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.381 -0.824 . . . . 0.0 109.532 179.251 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.443 ' HD2' ' O ' ' A' ' 4' ' ' CYS . 16.9 mtp180 -60.05 -28.25 67.62 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.732 -0.605 . . . . 0.0 110.714 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.39 -43.1 8.93 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.088 -1.007 . . . . 0.0 110.921 -179.457 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -84.27 9.37 13.16 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.131 -0.981 . . . . 0.0 110.94 -179.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.455 ' OG ' ' SG ' ' A' ' 2' ' ' CYS . 0.0 OUTLIER -160.26 147.03 15.85 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.088 -1.008 . . . . 0.0 110.31 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.3 mmt85 -102.7 18.98 20.07 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.321 -0.862 . . . . 0.0 110.139 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 71.7 m -71.33 -14.65 62.26 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.335 -0.853 . . . . 0.0 110.163 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -92.46 -21.07 20.38 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.224 -0.922 . . . . 0.0 110.068 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.36 0 O-C-N 120.0 -1.687 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 8.3 m . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.229 0.538 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 11.2 p -63.16 -178.07 0.21 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.168 -0.957 . . . . 0.0 110.153 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.499 ' O ' ' CB ' ' A' ' 9' ' ' CYS . 0.7 OUTLIER -93.5 127.54 39.2 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.335 -0.853 . . . . 0.0 110.222 -179.848 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.0 m -59.93 -31.59 69.99 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.368 -0.832 . . . . 0.0 110.22 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.7 t -43.69 -40.57 4.29 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.309 -0.869 . . . . 0.0 110.483 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 7' ' ' LYS . 0.5 OUTLIER -86.88 115.44 24.29 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.246 -0.909 . . . . 0.0 110.586 -179.714 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 6' ' ' SER . 0.1 OUTLIER -44.71 -36.24 3.06 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.218 -0.926 . . . . 0.0 109.419 179.498 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.601 ' CD1' ' CD2' ' A' ' 12' ' ' HIS . 42.7 t90 -53.25 -49.7 66.33 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.381 -0.825 . . . . 0.0 109.436 179.343 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 3' ' ' ASN . 41.5 t -51.45 -51.35 55.65 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.306 -0.871 . . . . 0.0 109.408 179.141 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.436 ' HG2' ' SG ' ' A' ' 16' ' ' CYS . 69.2 mtm180 -66.78 -32.17 73.28 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.622 -0.674 . . . . 0.0 110.661 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.76 -54.56 4.61 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.208 -0.933 . . . . 0.0 110.589 -179.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.601 ' CD2' ' CD1' ' A' ' 8' ' ' TRP . 3.4 m-70 -66.7 -39.08 87.92 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.225 -0.922 . . . . 0.0 110.312 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.471 ' HB2' ' O ' ' A' ' 9' ' ' CYS . 26.9 m -109.95 -170.56 1.67 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.239 -0.913 . . . . 0.0 110.18 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.11 22.2 1.21 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.298 -0.876 . . . . 0.0 110.102 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 84.0 m -80.64 4.0 20.12 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.371 -0.831 . . . . 0.0 110.178 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.436 ' SG ' ' HG2' ' A' ' 10' ' ' ARG . 0.8 OUTLIER -82.63 -51.31 7.87 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.243 -0.911 . . . . 0.0 110.206 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.283 0 O-C-N 119.793 -1.817 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.454 ' O ' ' O ' ' A' ' 2' ' ' CYS . 26.6 p . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 121.274 0.559 . . . . 0.0 110.187 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.454 ' O ' ' O ' ' A' ' 1' ' ' CYS . 5.9 p -53.05 -170.73 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.298 -0.877 . . . . 0.0 110.291 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.412 ' CG ' ' O ' ' A' ' 3' ' ' ASN . 18.7 p-10 -94.37 107.24 19.21 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.338 -0.851 . . . . 0.0 110.33 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.516 ' O ' ' NE ' ' A' ' 10' ' ' ARG . 99.2 m -46.47 -28.51 1.41 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.27 -0.894 . . . . 0.0 110.015 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -49.41 -29.17 5.97 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.253 -0.904 . . . . 0.0 110.1 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 7' ' ' LYS . 0.4 OUTLIER -91.48 120.11 32.02 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.22 -0.925 . . . . 0.0 110.257 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.479 ' HA ' ' HD2' ' A' ' 10' ' ' ARG . 4.1 mtpt -43.19 -44.84 5.37 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.286 -0.884 . . . . 0.0 109.76 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.488 ' CD1' ' CD2' ' A' ' 12' ' ' HIS . 42.3 t90 -50.94 -56.44 12.35 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.266 -0.896 . . . . 0.0 109.347 179.494 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.8 t -45.11 -47.31 12.08 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.297 -0.877 . . . . 0.0 109.472 179.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.516 ' NE ' ' O ' ' A' ' 4' ' ' CYS . 6.5 mtt-85 -61.47 -39.33 90.5 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.623 -0.673 . . . . 0.0 110.249 179.677 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -94.25 13.46 23.35 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.313 -0.867 . . . . 0.0 110.505 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.488 ' CD2' ' CD1' ' A' ' 8' ' ' TRP . 4.5 m-70 -136.67 20.62 3.09 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.151 -0.968 . . . . 0.0 110.298 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.8 m -157.66 -170.17 3.11 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.338 -0.852 . . . . 0.0 110.249 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -136.11 2.52 2.81 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.391 -0.818 . . . . 0.0 110.318 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.2 p -84.47 -27.13 27.7 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.295 -0.878 . . . . 0.0 110.579 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 84.4 m -68.84 -10.29 56.08 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.061 -1.025 . . . . 0.0 110.367 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.382 0 O-C-N 119.883 -1.761 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 121.19 0.519 . . . . 0.0 110.089 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.3 p -146.55 -162.4 1.52 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.202 -0.936 . . . . 0.0 110.544 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.501 ' O ' ' CB ' ' A' ' 9' ' ' CYS . 19.6 p-10 -94.08 135.4 35.48 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.27 -0.894 . . . . 0.0 110.574 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 94.6 m -70.25 -7.25 40.75 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.731 -0.606 . . . . 0.0 110.272 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.22 -20.57 59.38 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.326 -0.859 . . . . 0.0 110.569 -179.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 7' ' ' LYS . 0.3 OUTLIER -113.08 125.17 54.08 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.997 -1.065 . . . . 0.0 110.825 -179.537 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 6' ' ' SER . 15.2 mttp -43.27 -43.07 4.68 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.325 -0.86 . . . . 0.0 109.762 179.346 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.681 ' CD1' ' CD2' ' A' ' 12' ' ' HIS . 46.1 t90 -49.17 -52.13 28.37 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.326 -0.859 . . . . 0.0 109.757 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.501 ' CB ' ' O ' ' A' ' 3' ' ' ASN . 14.6 t -52.65 -45.1 66.56 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.293 -0.879 . . . . 0.0 109.946 179.516 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.0 mtm180 -69.45 -23.81 63.72 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.501 -0.75 . . . . 0.0 110.517 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -98.83 -20.22 16.98 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.174 -0.954 . . . . 0.0 110.675 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.681 ' CD2' ' CD1' ' A' ' 8' ' ' TRP . 11.9 m-70 -104.25 -4.36 23.12 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.076 -1.015 . . . . 0.0 110.668 -179.706 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.41 156.18 43.6 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.209 -0.932 . . . . 0.0 110.077 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.27 -2.46 29.04 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.194 -0.942 . . . . 0.0 110.284 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.5 m -55.07 -34.76 63.86 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.157 -0.964 . . . . 0.0 109.809 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 85.6 m -70.2 53.19 0.13 Allowed 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.293 -0.879 . . . . 0.0 110.194 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.318 0 O-C-N 119.809 -1.807 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.379 0.609 . . . . 0.0 110.152 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 7.3 p -55.2 -179.37 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.211 -0.931 . . . . 0.0 110.385 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -100.55 135.24 42.3 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.378 -0.827 . . . . 0.0 110.363 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.462 ' O ' ' HD2' ' A' ' 10' ' ' ARG . 86.9 m -64.03 -14.32 53.47 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.544 -0.722 . . . . 0.0 110.064 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.1 t -66.28 -11.26 49.41 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.253 -0.905 . . . . 0.0 109.926 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.76 118.84 37.59 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.232 -0.917 . . . . 0.0 110.293 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.453 ' O ' ' HB2' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -49.27 -36.69 21.32 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.319 -0.863 . . . . 0.0 109.913 179.739 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.513 ' CD1' ' CD2' ' A' ' 12' ' ' HIS . 45.0 t90 -56.58 -57.54 11.91 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.262 -0.899 . . . . 0.0 109.447 179.573 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.446 ' O ' ' OG ' ' A' ' 13' ' ' SER . 25.2 t -46.09 -54.95 7.65 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.27 -0.894 . . . . 0.0 109.435 179.31 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.462 ' HD2' ' O ' ' A' ' 4' ' ' CYS . 34.4 mtp180 -59.92 -29.89 68.68 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.611 -0.68 . . . . 0.0 110.342 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.453 ' HB2' ' O ' ' A' ' 7' ' ' LYS . 0.3 OUTLIER -100.12 6.79 44.91 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.288 -0.882 . . . . 0.0 110.428 -179.807 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.513 ' CD2' ' CD1' ' A' ' 8' ' ' TRP . 7.4 m-70 -132.9 13.11 4.35 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.149 -0.969 . . . . 0.0 110.475 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.446 ' OG ' ' O ' ' A' ' 9' ' ' CYS . 9.4 p -172.94 158.98 3.94 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.14 -0.975 . . . . 0.0 110.309 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.92 0.65 35.73 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.365 -0.834 . . . . 0.0 110.092 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 60.5 m -56.7 -16.94 7.27 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.325 -0.86 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.2 m -87.55 0.58 55.4 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.267 -0.896 . . . . 0.0 110.182 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.3 0 O-C-N 119.797 -1.814 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 49.9 t . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.296 0.57 . . . . 0.0 110.175 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.4 ' C ' ' SG ' ' A' ' 9' ' ' CYS . 7.1 p -131.77 -179.51 5.43 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.169 -0.957 . . . . 0.0 110.14 179.771 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 20.5 p-10 -85.63 117.05 24.29 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.237 -0.914 . . . . 0.0 110.252 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.518 ' O ' ' NE ' ' A' ' 10' ' ' ARG . 2.1 m -54.34 -27.08 33.52 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.336 -0.853 . . . . 0.0 110.256 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 4' ' ' CYS . 59.8 m -42.72 -34.87 0.98 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.165 -0.959 . . . . 0.0 110.379 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 7' ' ' LYS . 0.5 OUTLIER -90.84 119.76 31.31 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.244 -0.91 . . . . 0.0 110.355 -179.832 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.516 ' HA ' ' CD ' ' A' ' 10' ' ' ARG . 2.4 mtmm -42.19 -40.74 2.47 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.542 -0.724 . . . . 0.0 109.735 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.526 ' O ' ' N ' ' A' ' 12' ' ' HIS . 45.3 t90 -52.53 -57.4 10.07 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.349 -0.844 . . . . 0.0 109.505 179.496 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.422 ' C ' ' O ' ' A' ' 8' ' ' TRP . 44.5 t -44.51 -46.36 9.74 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.336 -0.852 . . . . 0.0 109.235 179.376 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.518 ' NE ' ' O ' ' A' ' 4' ' ' CYS . 1.4 mtt-85 -62.91 -34.89 78.38 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.648 -0.657 . . . . 0.0 110.311 179.709 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -100.16 2.25 42.81 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.143 -0.973 . . . . 0.0 110.748 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.526 ' N ' ' O ' ' A' ' 8' ' ' TRP . 5.3 m-70 -134.04 38.85 3.15 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.053 -1.03 . . . . 0.0 110.23 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -171.1 -178.49 2.45 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.24 -0.913 . . . . 0.0 110.25 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.36 11.05 8.04 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.458 -0.776 . . . . 0.0 109.558 179.264 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.4 m -76.11 -27.83 57.25 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.42 -0.8 . . . . 0.0 109.897 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -91.77 57.19 3.15 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.33 -0.856 . . . . 0.0 110.208 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.402 0 O-C-N 119.936 -1.728 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 4.4 t . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.346 0.593 . . . . 0.0 110.148 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.5 p -65.83 169.93 5.97 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.355 -0.841 . . . . 0.0 110.624 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.458 ' O ' ' SG ' ' A' ' 9' ' ' CYS . 18.7 p-10 -72.24 132.1 43.62 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.432 -0.792 . . . . 0.0 110.204 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.402 ' O ' ' HD2' ' A' ' 10' ' ' ARG . 13.6 m -78.38 6.62 8.01 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.209 -0.932 . . . . 0.0 110.543 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 m -79.01 -18.63 53.28 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.182 -0.949 . . . . 0.0 110.265 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.08 125.69 51.38 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.237 -0.915 . . . . 0.0 110.523 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.6 tmtt? -50.89 -26.91 6.44 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.218 -0.926 . . . . 0.0 109.395 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.626 ' CD1' ' CD2' ' A' ' 12' ' ' HIS . 40.9 t90 -62.01 -55.95 24.05 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.301 -0.875 . . . . 0.0 108.973 179.266 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.458 ' SG ' ' O ' ' A' ' 3' ' ' ASN . 12.1 t -51.04 -57.54 8.39 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.442 -0.786 . . . . 0.0 109.76 179.144 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.447 ' HG2' ' SG ' ' A' ' 16' ' ' CYS . 14.3 mtp85 -50.81 -32.88 21.38 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.502 -0.749 . . . . 0.0 110.24 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -100.45 -2.97 31.89 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.237 -0.915 . . . . 0.0 110.708 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.626 ' CD2' ' CD1' ' A' ' 8' ' ' TRP . 6.8 m-70 -116.65 28.18 8.72 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.028 -1.045 . . . . 0.0 110.495 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.1 p -167.98 160.6 12.23 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.072 -1.017 . . . . 0.0 110.455 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.71 17.32 22.73 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.389 -0.819 . . . . 0.0 109.42 179.352 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.7 p -97.46 -37.22 10.07 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.518 -0.739 . . . . 0.0 110.56 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.447 ' SG ' ' HG2' ' A' ' 10' ' ' ARG . 5.5 t -64.9 81.43 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.146 -0.971 . . . . 0.0 110.198 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.378 0 O-C-N 119.93 -1.731 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 10.3 m . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.26 0.552 . . . . 0.0 110.117 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 6.2 p -47.05 168.89 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.093 -1.004 . . . . 0.0 110.339 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -80.39 126.73 31.55 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.477 -0.764 . . . . 0.0 110.176 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.4 ' O ' ' HD2' ' A' ' 10' ' ' ARG . 25.9 m -63.1 -13.8 40.76 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.258 -0.901 . . . . 0.0 110.116 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.9 p -49.04 -29.53 5.13 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.336 -0.852 . . . . 0.0 110.446 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.92 128.29 53.69 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.185 -0.947 . . . . 0.0 110.593 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.0 mttm -53.71 -25.26 17.66 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.391 -0.818 . . . . 0.0 109.409 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.48 ' O ' ' HB2' ' A' ' 12' ' ' HIS . 23.4 t90 -60.06 -49.54 77.25 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.431 -0.793 . . . . 0.0 109.22 179.183 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.478 ' N ' ' CE3' ' A' ' 8' ' ' TRP . 25.2 t -55.93 -54.34 45.93 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.492 -0.755 . . . . 0.0 109.718 179.435 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.436 ' HG2' ' SG ' ' A' ' 16' ' ' CYS . 35.2 mtp180 -58.32 -30.88 67.03 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.657 -0.652 . . . . 0.0 110.651 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -89.44 -52.34 5.08 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.957 -1.09 . . . . 0.0 110.33 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.48 ' HB2' ' O ' ' A' ' 8' ' ' TRP . 3.5 m-70 -67.55 -7.01 22.6 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.299 -0.876 . . . . 0.0 110.26 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -140.66 174.01 10.94 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.256 -0.903 . . . . 0.0 110.315 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.8 ptp85 -132.43 28.1 4.37 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.24 -0.912 . . . . 0.0 110.36 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 83.2 m -84.83 -31.61 23.73 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.259 -0.901 . . . . 0.0 109.891 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.436 ' SG ' ' HG2' ' A' ' 10' ' ' ARG . 0.5 OUTLIER -56.35 100.28 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.343 -0.848 . . . . 0.0 110.281 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 119.862 -1.774 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.469 ' O ' ' O ' ' A' ' 2' ' ' CYS . 20.7 p . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 121.177 0.513 . . . . 0.0 110.231 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.469 ' O ' ' O ' ' A' ' 1' ' ' CYS . 6.2 p -55.3 -163.95 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.265 -0.897 . . . . 0.0 110.143 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.496 ' O ' ' CB ' ' A' ' 9' ' ' CYS . 10.1 p-10 -97.79 123.25 41.66 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.145 -0.972 . . . . 0.0 110.486 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.1 m -60.62 -27.24 67.61 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.328 -0.857 . . . . 0.0 110.064 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -47.11 -34.29 5.86 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.34 -0.85 . . . . 0.0 110.28 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.17 120.18 34.94 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.207 -0.933 . . . . 0.0 110.208 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.434 ' HD2' ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -45.96 -44.43 14.9 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.342 -0.849 . . . . 0.0 109.873 179.849 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.619 ' NE1' ' CD2' ' A' ' 12' ' ' HIS . 42.5 t90 -47.22 -54.26 11.21 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.236 -0.915 . . . . 0.0 109.074 179.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 3' ' ' ASN . 48.6 t -44.22 -51.1 8.49 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.43 -0.794 . . . . 0.0 109.083 179.068 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.444 ' HG2' ' SG ' ' A' ' 16' ' ' CYS . 41.6 mtt180 -63.01 -26.84 69.04 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.634 -0.666 . . . . 0.0 110.425 179.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 8' ' ' TRP . 0.4 OUTLIER -89.89 -30.88 17.59 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.257 -0.902 . . . . 0.0 110.675 -179.527 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.619 ' CD2' ' NE1' ' A' ' 8' ' ' TRP . 5.8 m-70 -98.32 11.49 37.83 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.026 -1.046 . . . . 0.0 110.454 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.473 ' HB2' ' O ' ' A' ' 9' ' ' CYS . 50.8 m -144.65 -178.34 5.96 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.196 -0.94 . . . . 0.0 110.249 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.2 ptp180 -138.63 18.44 2.7 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.226 -0.921 . . . . 0.0 110.357 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.0 p -86.48 -24.67 25.51 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.257 -0.902 . . . . 0.0 110.283 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.444 ' SG ' ' HG2' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -75.73 -150.23 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.205 -0.934 . . . . 0.0 110.18 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.377 0 O-C-N 119.809 -1.807 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 14.1 p . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.272 0.558 . . . . 0.0 110.209 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.422 ' HB2' ' HB2' ' A' ' 9' ' ' CYS . 26.9 p -73.12 -167.72 0.43 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.358 -0.839 . . . . 0.0 110.342 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 3' ' ' ASN . 19.9 p-10 -120.59 146.94 45.84 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.162 -0.961 . . . . 0.0 110.625 -179.603 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 17.1 m -68.91 -17.56 63.98 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.468 -0.77 . . . . 0.0 110.529 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.83 -9.48 54.89 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.161 -0.962 . . . . 0.0 110.727 -179.623 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -115.59 119.5 36.34 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.073 -1.017 . . . . 0.0 110.345 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.91 -38.6 51.02 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.304 -0.873 . . . . 0.0 109.857 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.568 ' NE1' ' CG ' ' A' ' 12' ' ' HIS . 52.9 t90 -54.97 -53.89 49.89 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.224 -0.922 . . . . 0.0 109.145 179.37 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.451 ' SG ' ' O ' ' A' ' 3' ' ' ASN . 5.9 t -45.32 -54.44 7.17 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.351 -0.843 . . . . 0.0 109.136 178.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.517 ' CD ' ' SG ' ' A' ' 16' ' ' CYS . 5.2 mtm180 -61.74 -22.74 65.64 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.891 -0.506 . . . . 0.0 110.715 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -97.68 -50.15 4.58 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.229 -0.919 . . . . 0.0 111.121 -179.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.568 ' CG ' ' NE1' ' A' ' 8' ' ' TRP . 7.2 m-70 -81.4 2.12 29.92 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.158 -0.964 . . . . 0.0 110.898 -179.266 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.431 ' OG ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -149.79 178.11 9.19 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.079 -1.013 . . . . 0.0 110.436 -179.827 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.8 ptt180 -128.74 7.69 5.71 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.351 -0.843 . . . . 0.0 110.204 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.6 t -59.82 -24.59 64.3 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.303 -0.873 . . . . 0.0 109.911 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.517 ' SG ' ' CD ' ' A' ' 10' ' ' ARG . 4.3 t -80.68 -47.45 14.02 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.312 -0.868 . . . . 0.0 110.203 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.328 0 O-C-N 119.804 -1.81 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.333 0.587 . . . . 0.0 110.209 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.417 ' C ' ' SG ' ' A' ' 9' ' ' CYS . 9.8 p -62.87 177.05 0.6 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.244 -0.91 . . . . 0.0 110.192 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.438 ' O ' ' CB ' ' A' ' 9' ' ' CYS . 0.7 OUTLIER -81.33 108.23 14.78 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.406 -0.809 . . . . 0.0 110.114 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 40.0 m -58.25 -15.05 8.62 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.236 -0.915 . . . . 0.0 110.279 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.3 t -65.82 -8.92 24.36 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.342 -0.849 . . . . 0.0 110.33 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -114.61 125.7 54.07 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.257 -0.902 . . . . 0.0 110.417 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 6' ' ' SER . 0.3 OUTLIER -43.68 -35.45 1.81 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.307 -0.871 . . . . 0.0 110.045 179.882 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.504 ' O ' ' N ' ' A' ' 12' ' ' HIS . 77.3 t90 -57.74 -51.9 67.65 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.25 -0.906 . . . . 0.0 109.844 179.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.455 ' O ' ' OG ' ' A' ' 13' ' ' SER . 49.4 t -54.47 -52.53 61.58 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.289 -0.882 . . . . 0.0 109.672 179.62 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 40.9 mtp85 -59.03 -27.87 65.88 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.373 -0.83 . . . . 0.0 110.467 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.36 -19.09 18.73 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.196 -0.94 . . . . 0.0 110.719 -179.702 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.504 ' N ' ' O ' ' A' ' 8' ' ' TRP . 5.9 m-70 -108.73 27.83 9.04 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.082 -1.011 . . . . 0.0 110.545 -179.67 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.455 ' OG ' ' O ' ' A' ' 9' ' ' CYS . 59.5 p -170.13 174.33 5.47 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.231 -0.918 . . . . 0.0 110.33 179.734 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.3 mtm180 -122.38 11.73 10.04 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.433 -0.792 . . . . 0.0 109.391 179.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -75.41 -40.37 57.9 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.386 -0.821 . . . . 0.0 110.225 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 58.0 m -59.38 175.1 0.35 Allowed 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.271 -0.893 . . . . 0.0 110.225 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.377 0 O-C-N 119.858 -1.776 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.433 ' SG ' ' N ' ' A' ' 2' ' ' CYS . 16.2 t . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.297 0.57 . . . . 0.0 110.11 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.433 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 6.4 p -121.87 -174.46 2.88 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.216 -0.928 . . . . 0.0 110.142 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.468 ' O ' ' CB ' ' A' ' 9' ' ' CYS . 2.9 p-10 -98.43 145.15 27.03 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.213 -0.93 . . . . 0.0 110.265 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 50.6 m -71.26 -24.78 62.24 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.424 -0.798 . . . . 0.0 110.543 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -48.25 -27.17 2.31 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.206 -0.934 . . . . 0.0 110.404 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -99.65 122.35 42.54 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.112 -0.992 . . . . 0.0 110.364 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.432 ' HA ' ' HD3' ' A' ' 10' ' ' ARG . 9.6 tttt -52.51 -34.62 50.48 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.319 -0.863 . . . . 0.0 109.475 179.675 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.578 ' CD1' ' CD2' ' A' ' 12' ' ' HIS . 45.2 t90 -55.41 -55.65 29.25 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.306 -0.871 . . . . 0.0 109.187 179.317 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.468 ' CB ' ' O ' ' A' ' 3' ' ' ASN . 54.0 t -45.15 -49.33 12.04 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.329 -0.857 . . . . 0.0 109.468 179.148 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.432 ' HD3' ' HA ' ' A' ' 7' ' ' LYS . 53.8 mtp85 -63.21 -30.76 71.84 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.64 -0.662 . . . . 0.0 110.478 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.33 -1.19 36.78 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.263 -0.898 . . . . 0.0 110.925 -179.457 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.578 ' CD2' ' CD1' ' A' ' 8' ' ' TRP . 5.9 m-70 -127.91 7.78 6.17 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.982 -1.074 . . . . 0.0 110.545 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.45 ' HB2' ' O ' ' A' ' 9' ' ' CYS . 58.0 m -148.18 -163.61 1.82 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.153 -0.967 . . . . 0.0 110.418 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.82 10.21 2.41 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.334 -0.854 . . . . 0.0 110.156 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.3 m -67.46 -45.08 77.02 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.22 -0.925 . . . . 0.0 110.122 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.402 ' SG ' ' CG ' ' A' ' 10' ' ' ARG . 98.3 m -57.57 -84.66 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.156 -0.965 . . . . 0.0 110.271 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.387 0 O-C-N 119.909 -1.744 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 24.8 p . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.23 0.538 . . . . 0.0 110.162 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.421 ' SG ' ' OG ' ' A' ' 13' ' ' SER . 20.7 p -71.48 169.2 15.92 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.302 -0.873 . . . . 0.0 110.316 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -90.62 145.04 25.17 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.385 -0.822 . . . . 0.0 110.211 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.4 m -70.82 -7.83 48.17 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.293 -0.879 . . . . 0.0 110.202 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.36 -8.73 52.87 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.257 -0.902 . . . . 0.0 110.31 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.53 123.86 51.09 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.233 -0.917 . . . . 0.0 110.365 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.04 -38.47 51.65 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.24 -0.913 . . . . 0.0 109.689 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.56 ' CD1' ' CD2' ' A' ' 12' ' ' HIS . 57.0 t90 -57.32 -56.58 19.94 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.24 -0.912 . . . . 0.0 109.377 179.48 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.496 ' O ' ' OG ' ' A' ' 13' ' ' SER . 42.7 t -46.1 -54.23 8.93 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.362 -0.836 . . . . 0.0 109.397 179.346 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.7 mtp180 -56.97 -31.8 65.41 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.365 -0.835 . . . . 0.0 110.167 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.7 15.67 27.47 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.323 -0.861 . . . . 0.0 110.926 -179.664 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.56 ' CD2' ' CD1' ' A' ' 8' ' ' TRP . 12.4 m-70 -145.05 17.74 1.58 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.877 -1.14 . . . . 0.0 111.263 -179.5 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.496 ' OG ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -160.45 -175.58 5.1 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.91 -1.119 . . . . 0.0 110.436 179.716 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.18 -12.55 9.44 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.323 -0.861 . . . . 0.0 110.348 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -46.24 -34.74 4.63 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.245 -0.91 . . . . 0.0 110.258 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.07 -20.67 28.41 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.184 -0.947 . . . . 0.0 110.275 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.284 0 O-C-N 119.831 -1.793 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.1 t . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 121.179 0.514 . . . . 0.0 110.233 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.437 ' HB2' ' HB2' ' A' ' 9' ' ' CYS . 22.7 p -67.53 -174.35 0.4 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.274 -0.891 . . . . 0.0 110.019 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.5 ' N ' ' OD1' ' A' ' 3' ' ' ASN . 4.4 p-10 -116.55 132.75 56.6 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.183 -0.948 . . . . 0.0 110.3 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.475 ' O ' ' HD2' ' A' ' 10' ' ' ARG . 10.1 m -58.0 -14.25 6.15 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.338 -0.851 . . . . 0.0 110.228 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.3 -15.21 62.29 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.073 -1.017 . . . . 0.0 109.8 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.55 122.38 47.52 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.365 -0.835 . . . . 0.0 110.26 179.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.464 ' HA ' ' HD3' ' A' ' 10' ' ' ARG . 25.8 mttp -51.62 -39.83 58.75 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.334 -0.854 . . . . 0.0 109.886 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.692 ' CD1' ' CD2' ' A' ' 12' ' ' HIS . 56.8 t90 -52.28 -54.76 27.3 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.275 -0.891 . . . . 0.0 109.444 179.513 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.464 ' O ' ' OG ' ' A' ' 13' ' ' SER . 8.0 t -45.23 -53.23 8.53 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.339 -0.85 . . . . 0.0 108.964 179.084 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.475 ' HD2' ' O ' ' A' ' 4' ' ' CYS . 17.6 mtp180 -59.84 -32.73 70.95 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.77 -0.581 . . . . 0.0 110.531 179.714 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.25 7.37 46.71 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.2 -0.937 . . . . 0.0 110.557 -179.682 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.692 ' CD2' ' CD1' ' A' ' 8' ' ' TRP . 21.3 m-70 -134.39 22.73 3.73 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.189 -0.945 . . . . 0.0 110.255 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.464 ' OG ' ' O ' ' A' ' 9' ' ' CYS . 0.5 OUTLIER 176.54 143.05 0.07 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.32 -0.862 . . . . 0.0 110.182 179.898 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 15' ' ' CYS . 10.5 mtp180 -76.03 1.73 14.67 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.175 -0.953 . . . . 0.0 110.429 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.425 ' C ' ' O ' ' A' ' 14' ' ' ARG . 0.1 OUTLIER -42.97 -62.99 0.88 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.232 -0.918 . . . . 0.0 110.4 -179.849 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.48 -165.85 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.171 -0.956 . . . . 0.0 110.192 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.352 0 O-C-N 119.846 -1.783 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 13.4 p . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.206 0.527 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 22.4 p -88.23 -178.98 6.05 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.29 -0.881 . . . . 0.0 110.282 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.491 ' OD1' ' N ' ' A' ' 3' ' ' ASN . 17.6 p-10 -95.78 136.52 36.09 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.236 -0.915 . . . . 0.0 110.463 -179.751 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.428 ' O ' ' NE ' ' A' ' 10' ' ' ARG . 22.9 m -67.14 -11.19 56.58 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.344 -0.847 . . . . 0.0 110.366 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.3 m -69.14 -6.56 29.39 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.305 -0.872 . . . . 0.0 110.452 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 7' ' ' LYS . 0.4 OUTLIER -115.54 117.51 30.54 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.119 -0.988 . . . . 0.0 110.26 -179.817 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 6' ' ' SER . 0.0 OUTLIER -44.7 -40.85 6.29 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.202 -0.936 . . . . 0.0 109.755 179.776 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.518 ' O ' ' N ' ' A' ' 12' ' ' HIS . 40.3 t90 -56.61 -54.66 43.37 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.236 -0.915 . . . . 0.0 109.372 179.52 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.461 ' N ' ' CE3' ' A' ' 8' ' ' TRP . 37.2 t -45.59 -53.55 8.95 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.313 -0.867 . . . . 0.0 109.524 179.199 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.428 ' NE ' ' O ' ' A' ' 4' ' ' CYS . 58.5 mtm180 -60.64 -29.76 69.46 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.655 -0.653 . . . . 0.0 110.152 179.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -99.85 1.22 42.76 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.376 -0.827 . . . . 0.0 110.795 -179.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.518 ' N ' ' O ' ' A' ' 8' ' ' TRP . 11.1 m-70 -135.2 33.21 3.1 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.072 -1.017 . . . . 0.0 110.707 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.453 ' OG ' ' O ' ' A' ' 9' ' ' CYS . 64.2 p -166.34 -175.47 3.27 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.159 -0.963 . . . . 0.0 110.445 179.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.93 6.05 5.46 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.586 -0.696 . . . . 0.0 109.549 179.332 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.12 -37.57 81.27 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.278 -0.889 . . . . 0.0 110.461 -179.689 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.47 102.64 6.98 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.216 -0.928 . . . . 0.0 110.259 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.368 0 O-C-N 119.831 -1.793 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 121.166 0.508 . . . . 0.0 110.185 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 5.1 p -127.99 -172.6 2.72 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.178 -0.951 . . . . 0.0 110.461 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 23.4 p-10 -86.28 122.23 29.97 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.238 -0.914 . . . . 0.0 110.379 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.463 ' O ' ' HD2' ' A' ' 10' ' ' ARG . 90.2 m -60.25 -20.14 57.68 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.588 -0.695 . . . . 0.0 110.35 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.9 m -56.74 -15.91 5.49 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.157 -0.965 . . . . 0.0 110.507 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 7' ' ' LYS . 0.5 OUTLIER -105.91 118.32 36.3 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.098 -1.001 . . . . 0.0 110.705 -179.706 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 6' ' ' SER . 16.2 tttm -41.04 -46.11 2.82 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.325 -0.859 . . . . 0.0 110.103 179.542 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.696 ' CD1' ' CD2' ' A' ' 12' ' ' HIS . 43.8 t90 -51.03 -56.12 14.1 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.389 -0.819 . . . . 0.0 109.548 179.498 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.462 ' N ' ' CE3' ' A' ' 8' ' ' TRP . 49.5 t -47.82 -46.63 31.0 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.328 -0.858 . . . . 0.0 110.025 179.391 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.463 ' HD2' ' O ' ' A' ' 4' ' ' CYS . 24.3 mtp180 -66.17 -27.71 68.22 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.581 -0.699 . . . . 0.0 110.777 -179.576 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 11' ' ' ASP . 4.6 m-20 -99.61 -21.52 15.83 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.073 -1.017 . . . . 0.0 110.88 -179.398 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.696 ' CD2' ' CD1' ' A' ' 8' ' ' TRP . 21.3 m-70 -99.33 9.46 43.29 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.076 -1.015 . . . . 0.0 110.54 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -148.91 166.51 28.36 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.139 -0.976 . . . . 0.0 110.158 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.9 ppt_? -119.83 7.54 10.99 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.129 -0.982 . . . . 0.0 110.177 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 27.8 p -92.44 -13.69 29.62 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.248 -0.907 . . . . 0.0 110.144 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.3 m -80.45 -82.81 0.11 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.227 -0.921 . . . . 0.0 110.262 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.404 0 O-C-N 119.956 -1.715 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 24.2 p . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 121.218 0.533 . . . . 0.0 110.187 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.478 ' SG ' ' CB ' ' A' ' 13' ' ' SER . 23.0 p -66.07 -177.01 0.45 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.19 -0.944 . . . . 0.0 110.233 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -108.0 122.25 46.46 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.228 -0.92 . . . . 0.0 110.294 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.492 ' O ' ' CD ' ' A' ' 10' ' ' ARG . 66.0 m -54.04 -30.62 48.52 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.332 -0.855 . . . . 0.0 110.293 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.25 -28.67 0.83 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.226 -0.921 . . . . 0.0 110.277 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.01 125.42 48.69 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.226 -0.921 . . . . 0.0 110.51 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.24 -32.19 10.2 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.241 -0.912 . . . . 0.0 109.393 179.448 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.53 ' O ' ' N ' ' A' ' 12' ' ' HIS . 78.3 t90 -56.05 -54.31 46.5 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.493 -0.754 . . . . 0.0 109.499 179.519 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 38.4 t -51.52 -52.12 49.57 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.383 -0.823 . . . . 0.0 109.957 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.492 ' CD ' ' O ' ' A' ' 4' ' ' CYS . 23.8 mtp180 -62.53 -29.47 70.59 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.576 -0.702 . . . . 0.0 111.197 -179.6 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.41 -13.3 18.79 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.963 -1.085 . . . . 0.0 111.784 -178.775 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.53 ' N ' ' O ' ' A' ' 8' ' ' TRP . 4.5 m-70 -104.93 -45.7 4.48 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.769 -1.207 . . . . 0.0 110.656 -179.699 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.478 ' CB ' ' SG ' ' A' ' 2' ' ' CYS . 15.2 m -93.0 177.7 5.99 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.205 -0.934 . . . . 0.0 110.551 -179.648 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.74 11.06 8.42 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.365 -0.834 . . . . 0.0 110.021 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.6 p -85.52 -18.95 31.98 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.212 -0.93 . . . . 0.0 110.204 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.459 ' SG ' ' HG2' ' A' ' 10' ' ' ARG . 7.4 t -73.32 -27.73 61.68 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.15 -0.968 . . . . 0.0 110.184 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.349 0 O-C-N 119.901 -1.749 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 8.9 m . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.198 0.523 . . . . 0.0 110.193 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.462 ' SG ' ' HB2' ' A' ' 13' ' ' SER . 6.8 p -122.36 169.82 10.56 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.236 -0.915 . . . . 0.0 110.159 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.486 ' OD1' ' N ' ' A' ' 3' ' ' ASN . 16.0 p-10 -84.66 144.68 28.42 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.333 -0.854 . . . . 0.0 110.224 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 36.3 m -68.55 -37.01 79.57 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.47 -0.768 . . . . 0.0 110.155 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -43.62 -30.96 0.67 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.286 -0.884 . . . . 0.0 110.438 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.88 112.32 21.64 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.262 -0.899 . . . . 0.0 110.425 -179.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.5 mmmt -47.4 -40.71 18.37 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.394 -0.816 . . . . 0.0 109.836 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.522 ' CE3' ' N ' ' A' ' 9' ' ' CYS . 36.5 t90 -52.4 -55.63 20.44 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.21 -0.931 . . . . 0.0 109.507 179.616 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.522 ' N ' ' CE3' ' A' ' 8' ' ' TRP . 41.2 t -45.87 -50.54 14.25 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.124 -0.985 . . . . 0.0 109.877 179.399 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.411 ' HG2' ' SG ' ' A' ' 16' ' ' CYS . 67.3 mtp85 -64.75 -37.95 89.35 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.735 -0.603 . . . . 0.0 111.286 -179.368 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.82 -31.35 20.88 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.985 -1.072 . . . . 0.0 111.057 -179.238 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.517 ' CG ' ' NE1' ' A' ' 8' ' ' TRP . 3.6 m-70 -91.47 -64.97 1.05 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.286 -0.884 . . . . 0.0 110.682 -179.347 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.462 ' HB2' ' SG ' ' A' ' 2' ' ' CYS . 0.4 OUTLIER -89.66 164.33 14.76 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.217 -0.927 . . . . 0.0 110.394 -179.575 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -111.54 2.52 17.44 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.346 -0.846 . . . . 0.0 109.877 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.2 m -54.97 -17.39 3.67 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.297 -0.877 . . . . 0.0 110.041 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.411 ' SG ' ' HG2' ' A' ' 10' ' ' ARG . 16.0 t -72.86 62.83 0.61 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.249 -0.907 . . . . 0.0 110.19 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.326 0 O-C-N 119.8 -1.812 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.408 ' O ' ' O ' ' A' ' 2' ' ' CYS . 28.1 p . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 121.226 0.536 . . . . 0.0 110.222 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.419 ' HB2' ' HB2' ' A' ' 9' ' ' CYS . 22.2 p -56.16 -167.02 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.22 -0.925 . . . . 0.0 110.234 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -119.38 151.85 37.81 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.263 -0.898 . . . . 0.0 110.574 -179.671 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.1 m -71.23 -12.99 61.76 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.423 -0.798 . . . . 0.0 110.135 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.8 t -72.13 -18.6 61.88 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.309 -0.869 . . . . 0.0 110.398 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -102.24 121.89 43.13 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.211 -0.931 . . . . 0.0 110.334 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.2 tttp -55.36 -42.03 73.36 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.247 -0.908 . . . . 0.0 110.021 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.526 ' O ' ' N ' ' A' ' 12' ' ' HIS . 28.2 t90 -52.85 -55.74 20.91 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.18 -0.95 . . . . 0.0 109.204 179.482 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.517 ' N ' ' CE3' ' A' ' 8' ' ' TRP . 6.0 t -44.2 -54.34 5.74 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.307 -0.871 . . . . 0.0 109.268 178.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.522 ' HG2' ' CB ' ' A' ' 16' ' ' CYS . 45.9 mtm180 -61.54 -30.53 70.71 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.814 -0.554 . . . . 0.0 110.537 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.34 3.68 43.47 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.308 -0.87 . . . . 0.0 111.027 -179.374 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.526 ' N ' ' O ' ' A' ' 8' ' ' TRP . 6.3 m-70 -134.36 -5.54 2.62 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.977 -1.077 . . . . 0.0 111.052 -179.687 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -131.49 -176.11 3.92 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.922 -1.111 . . . . 0.0 110.418 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.6 ptt180 -124.83 16.25 8.65 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.248 -0.907 . . . . 0.0 110.254 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -80.48 -34.76 35.56 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.25 -0.906 . . . . 0.0 109.899 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.522 ' CB ' ' HG2' ' A' ' 10' ' ' ARG . 1.1 t -88.1 11.7 15.52 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.293 -0.88 . . . . 0.0 110.069 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.405 0 O-C-N 119.896 -1.752 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 121.353 0.597 . . . . 0.0 110.28 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 5.4 p -119.37 179.69 4.12 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.356 -0.84 . . . . 0.0 110.193 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -86.69 118.71 26.27 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.265 -0.897 . . . . 0.0 110.461 -179.68 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.7 m -56.27 -19.66 15.11 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.264 -0.897 . . . . 0.0 110.215 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.37 -44.17 79.91 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.312 -0.867 . . . . 0.0 110.29 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.84 121.76 26.36 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.293 -0.88 . . . . 0.0 110.2 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.4 tttp -49.03 -38.17 22.89 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.394 -0.817 . . . . 0.0 109.924 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.574 ' CD1' ' CD2' ' A' ' 12' ' ' HIS . 44.3 t90 -49.94 -49.03 51.48 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.287 -0.883 . . . . 0.0 109.398 179.59 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.462 ' O ' ' HB2' ' A' ' 13' ' ' SER . 42.8 t -54.28 -50.13 68.0 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.331 -0.856 . . . . 0.0 109.682 179.377 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.462 ' HG2' ' SG ' ' A' ' 16' ' ' CYS . 75.8 mtm180 -68.16 -23.52 64.88 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.554 -0.716 . . . . 0.0 110.801 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -98.39 -23.55 15.55 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.031 -1.043 . . . . 0.0 110.914 -179.277 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.574 ' CD2' ' CD1' ' A' ' 8' ' ' TRP . 14.0 m-70 -101.26 -31.91 10.76 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.119 -0.988 . . . . 0.0 110.544 -179.642 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.462 ' HB2' ' O ' ' A' ' 9' ' ' CYS . 68.7 m -103.96 -173.22 2.26 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.129 -0.982 . . . . 0.0 110.296 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.5 mtp85 -130.67 -2.34 4.24 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.27 -0.894 . . . . 0.0 110.37 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.7 m -55.35 -43.45 75.05 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.2 -0.937 . . . . 0.0 110.43 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.462 ' SG ' ' HG2' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -67.7 123.49 20.65 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.121 -0.987 . . . . 0.0 110.248 -179.858 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.363 0 O-C-N 119.909 -1.744 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.455 ' SG ' ' OG ' ' A' ' 13' ' ' SER . 23.5 p . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 121.148 0.499 . . . . 0.0 110.157 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ASN . . . . . 0.521 ' OD1' ' N ' ' A' ' 3' ' ' ASN . 9.6 p-10 -110.19 136.67 49.04 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.247 -0.908 . . . . 0.0 110.131 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.455 ' O ' ' HD2' ' A' ' 10' ' ' ARG . 30.7 m -69.48 -4.34 18.35 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.275 -0.891 . . . . 0.0 110.522 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.3 m -75.84 -6.12 49.23 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.21 -0.931 . . . . 0.0 110.322 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.58 131.89 53.74 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.252 -0.905 . . . . 0.0 110.416 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.405 ' HA ' ' HD3' ' A' ' 10' ' ' ARG . 4.4 tptt -55.87 -36.33 67.48 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.243 -0.911 . . . . 0.0 109.938 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 51.2 t90 -55.99 -49.2 74.29 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.324 -0.86 . . . . 0.0 109.438 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.486 ' CB ' ' O ' ' A' ' 3' ' ' ASN . 11.2 t -54.18 -52.68 60.44 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.381 -0.824 . . . . 0.0 109.532 179.251 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.455 ' HD2' ' O ' ' A' ' 4' ' ' CYS . 16.9 mtp180 -60.05 -28.25 67.62 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.732 -0.605 . . . . 0.0 110.714 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.39 -43.1 8.93 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.088 -1.007 . . . . 0.0 110.921 -179.457 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -84.27 9.37 13.16 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.131 -0.981 . . . . 0.0 110.94 -179.326 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.455 ' OG ' ' SG ' ' A' ' 2' ' ' CYS . 0.0 OUTLIER -160.26 147.03 15.85 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.088 -1.008 . . . . 0.0 110.31 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.3 mmt85 -102.7 18.98 20.07 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.321 -0.862 . . . . 0.0 110.139 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 71.7 m -71.33 -14.65 62.26 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.335 -0.853 . . . . 0.0 110.163 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.606 0 O-C-N 121.224 -0.922 . . . . 0.0 110.068 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 11.2 p . . . . . 0 N--CA 1.49 1.56 0 CA-C-O 121.248 0.547 . . . . 0.0 110.153 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ASN . . . . . 0.499 ' O ' ' CB ' ' A' ' 9' ' ' CYS . 1.3 t-20 -93.5 127.54 39.2 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.335 -0.853 . . . . 0.0 110.222 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.0 m -59.93 -31.59 69.99 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.368 -0.832 . . . . 0.0 110.22 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.7 t -43.69 -40.57 4.29 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.309 -0.869 . . . . 0.0 110.483 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 7' ' ' LYS . 0.5 OUTLIER -86.88 115.44 24.29 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.246 -0.909 . . . . 0.0 110.586 -179.714 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 6' ' ' SER . 0.1 OUTLIER -44.71 -36.24 3.06 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.218 -0.926 . . . . 0.0 109.419 179.498 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.538 ' NE1' ' CG ' ' A' ' 12' ' ' HIS . 42.7 t90 -53.25 -49.7 66.33 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.381 -0.825 . . . . 0.0 109.436 179.343 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 3' ' ' ASN . 41.5 t -51.45 -51.35 55.65 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.306 -0.871 . . . . 0.0 109.408 179.141 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.454 ' HG2' ' SG ' ' A' ' 16' ' ' CYS . 69.2 mtm180 -66.78 -32.17 73.28 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.622 -0.674 . . . . 0.0 110.661 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.76 -54.56 4.61 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.208 -0.933 . . . . 0.0 110.589 -179.572 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.538 ' CG ' ' NE1' ' A' ' 8' ' ' TRP . 9.5 m80 -66.7 -39.08 87.92 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.225 -0.922 . . . . 0.0 110.312 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.466 ' HB2' ' O ' ' A' ' 9' ' ' CYS . 26.9 m -109.95 -170.56 1.67 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.239 -0.913 . . . . 0.0 110.18 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.11 22.2 1.21 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.298 -0.876 . . . . 0.0 110.102 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 84.0 m -80.64 4.0 20.12 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.371 -0.831 . . . . 0.0 110.178 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.454 ' SG ' ' HG2' ' A' ' 10' ' ' ARG . 0.8 OUTLIER . . . . . 0 N--CA 1.491 1.586 0 O-C-N 121.243 -0.911 . . . . 0.0 110.206 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 5.9 p . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.261 0.553 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ASN . . . . . 0.412 ' O ' ' CG ' ' A' ' 3' ' ' ASN . 18.7 p-10 -94.37 107.24 19.21 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.338 -0.851 . . . . 0.0 110.33 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.516 ' O ' ' NE ' ' A' ' 10' ' ' ARG . 99.2 m -46.47 -28.51 1.41 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.27 -0.894 . . . . 0.0 110.015 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -49.41 -29.17 5.97 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.253 -0.904 . . . . 0.0 110.1 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 7' ' ' LYS . 0.4 OUTLIER -91.48 120.11 32.02 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.22 -0.925 . . . . 0.0 110.257 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.527 ' HA ' ' HD2' ' A' ' 10' ' ' ARG . 4.1 mtpt -43.19 -44.84 5.37 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.286 -0.884 . . . . 0.0 109.76 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.488 ' CD1' ' CD2' ' A' ' 12' ' ' HIS . 42.3 t90 -50.94 -56.44 12.35 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.266 -0.896 . . . . 0.0 109.347 179.494 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.8 t -45.11 -47.31 12.08 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.297 -0.877 . . . . 0.0 109.472 179.112 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.527 ' HD2' ' HA ' ' A' ' 7' ' ' LYS . 6.5 mtt-85 -61.47 -39.33 90.5 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.623 -0.673 . . . . 0.0 110.249 179.677 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -94.25 13.46 23.35 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.313 -0.867 . . . . 0.0 110.505 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.488 ' CD2' ' CD1' ' A' ' 8' ' ' TRP . 4.5 m-70 -136.67 20.62 3.09 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.151 -0.968 . . . . 0.0 110.298 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.8 m -157.66 -170.17 3.11 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.338 -0.852 . . . . 0.0 110.249 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -136.11 2.52 2.81 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.391 -0.818 . . . . 0.0 110.318 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.2 p -84.47 -27.13 27.7 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.295 -0.878 . . . . 0.0 110.579 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 84.4 m . . . . . 0 N--CA 1.486 1.362 0 O-C-N 121.061 -1.025 . . . . 0.0 110.367 -179.871 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.3 p . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 121.321 0.581 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ASN . . . . . 0.501 ' O ' ' CB ' ' A' ' 9' ' ' CYS . 19.6 p-10 -94.08 135.4 35.48 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.27 -0.894 . . . . 0.0 110.574 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 94.6 m -70.25 -7.25 40.75 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.731 -0.606 . . . . 0.0 110.272 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.22 -20.57 59.38 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.326 -0.859 . . . . 0.0 110.569 -179.726 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 7' ' ' LYS . 0.3 OUTLIER -113.08 125.17 54.08 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.997 -1.065 . . . . 0.0 110.825 -179.537 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 6' ' ' SER . 15.2 mttp -43.27 -43.07 4.68 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.325 -0.86 . . . . 0.0 109.762 179.346 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.488 ' CD1' ' ND1' ' A' ' 12' ' ' HIS . 46.1 t90 -49.17 -52.13 28.37 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.326 -0.859 . . . . 0.0 109.757 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.501 ' CB ' ' O ' ' A' ' 3' ' ' ASN . 14.6 t -52.65 -45.1 66.56 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.293 -0.879 . . . . 0.0 109.946 179.516 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.0 mtm180 -69.45 -23.81 63.72 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.501 -0.75 . . . . 0.0 110.517 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -98.83 -20.22 16.98 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.174 -0.954 . . . . 0.0 110.675 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.488 ' ND1' ' CD1' ' A' ' 8' ' ' TRP . 15.7 m80 -104.25 -4.36 23.12 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.076 -1.015 . . . . 0.0 110.668 -179.706 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.41 156.18 43.6 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.209 -0.932 . . . . 0.0 110.077 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.27 -2.46 29.04 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.194 -0.942 . . . . 0.0 110.284 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.5 m -55.07 -34.76 63.86 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.157 -0.964 . . . . 0.0 109.809 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 85.6 m . . . . . 0 N--CA 1.487 1.379 0 O-C-N 121.293 -0.879 . . . . 0.0 110.194 179.774 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 7.3 p . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 121.348 0.594 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -100.55 135.24 42.3 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.378 -0.827 . . . . 0.0 110.363 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.494 ' O ' ' HD2' ' A' ' 10' ' ' ARG . 86.9 m -64.03 -14.32 53.47 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.544 -0.722 . . . . 0.0 110.064 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.1 t -66.28 -11.26 49.41 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.253 -0.905 . . . . 0.0 109.926 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.76 118.84 37.59 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.232 -0.917 . . . . 0.0 110.293 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.459 ' O ' ' HB2' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -49.27 -36.69 21.32 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.319 -0.863 . . . . 0.0 109.913 179.739 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.513 ' CD1' ' CD2' ' A' ' 12' ' ' HIS . 45.0 t90 -56.58 -57.54 11.91 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.262 -0.899 . . . . 0.0 109.447 179.573 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.446 ' O ' ' OG ' ' A' ' 13' ' ' SER . 25.2 t -46.09 -54.95 7.65 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.27 -0.894 . . . . 0.0 109.435 179.31 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.494 ' HD2' ' O ' ' A' ' 4' ' ' CYS . 34.4 mtp180 -59.92 -29.89 68.68 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.611 -0.68 . . . . 0.0 110.342 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.459 ' HB2' ' O ' ' A' ' 7' ' ' LYS . 0.3 OUTLIER -100.12 6.79 44.91 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.288 -0.882 . . . . 0.0 110.428 -179.807 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.513 ' CD2' ' CD1' ' A' ' 8' ' ' TRP . 7.4 m-70 -132.9 13.11 4.35 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.149 -0.969 . . . . 0.0 110.475 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.446 ' OG ' ' O ' ' A' ' 9' ' ' CYS . 9.4 p -172.94 158.98 3.94 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.14 -0.975 . . . . 0.0 110.309 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.92 0.65 35.73 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.365 -0.834 . . . . 0.0 110.092 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 60.5 m -56.7 -16.94 7.27 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.325 -0.86 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.267 -0.896 . . . . 0.0 110.182 -179.978 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.4 ' C ' ' SG ' ' A' ' 9' ' ' CYS . 7.1 p . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.235 0.54 . . . . 0.0 110.14 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 20.5 p-10 -85.63 117.05 24.29 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.237 -0.914 . . . . 0.0 110.252 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.518 ' O ' ' NE ' ' A' ' 10' ' ' ARG . 2.1 m -54.34 -27.08 33.52 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.336 -0.853 . . . . 0.0 110.256 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 4' ' ' CYS . 59.8 m -42.72 -34.87 0.98 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.165 -0.959 . . . . 0.0 110.379 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 7' ' ' LYS . 0.5 OUTLIER -90.84 119.76 31.31 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.244 -0.91 . . . . 0.0 110.355 -179.832 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.533 ' HA ' ' CD ' ' A' ' 10' ' ' ARG . 2.4 mtmm -42.19 -40.74 2.47 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.542 -0.724 . . . . 0.0 109.735 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.526 ' O ' ' N ' ' A' ' 12' ' ' HIS . 45.3 t90 -52.53 -57.4 10.07 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.349 -0.844 . . . . 0.0 109.505 179.496 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.422 ' C ' ' O ' ' A' ' 8' ' ' TRP . 44.5 t -44.51 -46.36 9.74 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.336 -0.852 . . . . 0.0 109.235 179.376 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.533 ' CD ' ' HA ' ' A' ' 7' ' ' LYS . 1.4 mtt-85 -62.91 -34.89 78.38 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.648 -0.657 . . . . 0.0 110.311 179.709 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -100.16 2.25 42.81 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.143 -0.973 . . . . 0.0 110.748 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.526 ' N ' ' O ' ' A' ' 8' ' ' TRP . 5.3 m-70 -134.04 38.85 3.15 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.053 -1.03 . . . . 0.0 110.23 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -171.1 -178.49 2.45 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.24 -0.913 . . . . 0.0 110.25 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.36 11.05 8.04 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.458 -0.776 . . . . 0.0 109.558 179.264 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.4 m -76.11 -27.83 57.25 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.42 -0.8 . . . . 0.0 109.897 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.33 -0.856 . . . . 0.0 110.208 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.5 p . . . . . 0 N--CA 1.49 1.551 0 CA-C-O 121.44 0.638 . . . . 0.0 110.624 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ASN . . . . . 0.458 ' O ' ' SG ' ' A' ' 9' ' ' CYS . 18.7 p-10 -72.24 132.1 43.62 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.432 -0.792 . . . . 0.0 110.204 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.422 ' O ' ' HD2' ' A' ' 10' ' ' ARG . 13.6 m -78.38 6.62 8.01 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.209 -0.932 . . . . 0.0 110.543 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 m -79.01 -18.63 53.28 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.182 -0.949 . . . . 0.0 110.265 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.08 125.69 51.38 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.237 -0.915 . . . . 0.0 110.523 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.6 tmtt? -50.89 -26.91 6.44 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.218 -0.926 . . . . 0.0 109.395 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.626 ' CD1' ' CD2' ' A' ' 12' ' ' HIS . 40.9 t90 -62.01 -55.95 24.05 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.301 -0.875 . . . . 0.0 108.973 179.266 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.458 ' SG ' ' O ' ' A' ' 3' ' ' ASN . 12.1 t -51.04 -57.54 8.39 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.442 -0.786 . . . . 0.0 109.76 179.144 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.471 ' HG2' ' SG ' ' A' ' 16' ' ' CYS . 14.3 mtp85 -50.81 -32.88 21.38 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.502 -0.749 . . . . 0.0 110.24 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -100.45 -2.97 31.89 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.237 -0.915 . . . . 0.0 110.708 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.626 ' CD2' ' CD1' ' A' ' 8' ' ' TRP . 6.8 m-70 -116.65 28.18 8.72 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.028 -1.045 . . . . 0.0 110.495 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.1 p -167.98 160.6 12.23 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.072 -1.017 . . . . 0.0 110.455 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.71 17.32 22.73 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.389 -0.819 . . . . 0.0 109.42 179.352 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.7 p -97.46 -37.22 10.07 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.518 -0.739 . . . . 0.0 110.56 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.471 ' SG ' ' HG2' ' A' ' 10' ' ' ARG . 5.5 t . . . . . 0 N--CA 1.491 1.591 0 O-C-N 121.146 -0.971 . . . . 0.0 110.198 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 6.2 p . . . . . 0 N--CA 1.488 1.451 0 CA-C-O 121.455 0.645 . . . . 0.0 110.339 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -80.39 126.73 31.55 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.477 -0.764 . . . . 0.0 110.176 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.429 ' O ' ' HD2' ' A' ' 10' ' ' ARG . 25.9 m -63.1 -13.8 40.76 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.258 -0.901 . . . . 0.0 110.116 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.9 p -49.04 -29.53 5.13 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.336 -0.852 . . . . 0.0 110.446 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.92 128.29 53.69 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.185 -0.947 . . . . 0.0 110.593 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.0 mttm -53.71 -25.26 17.66 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.391 -0.818 . . . . 0.0 109.409 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.478 ' CE3' ' N ' ' A' ' 9' ' ' CYS . 23.4 t90 -60.06 -49.54 77.25 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.431 -0.793 . . . . 0.0 109.22 179.183 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.478 ' N ' ' CE3' ' A' ' 8' ' ' TRP . 25.2 t -55.93 -54.34 45.93 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.492 -0.755 . . . . 0.0 109.718 179.435 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.459 ' HG2' ' SG ' ' A' ' 16' ' ' CYS . 35.2 mtp180 -58.32 -30.88 67.03 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.657 -0.652 . . . . 0.0 110.651 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -89.44 -52.34 5.08 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.957 -1.09 . . . . 0.0 110.33 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.476 ' HB2' ' O ' ' A' ' 8' ' ' TRP . 3.5 m-70 -67.55 -7.01 22.6 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.299 -0.876 . . . . 0.0 110.26 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -140.66 174.01 10.94 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.256 -0.903 . . . . 0.0 110.315 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.8 ptp85 -132.43 28.1 4.37 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.24 -0.912 . . . . 0.0 110.36 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 83.2 m -84.83 -31.61 23.73 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.259 -0.901 . . . . 0.0 109.891 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.459 ' SG ' ' HG2' ' A' ' 10' ' ' ARG . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.597 0 O-C-N 121.343 -0.848 . . . . 0.0 110.281 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 6.2 p . . . . . 0 N--CA 1.493 1.688 0 CA-C-O 121.251 0.548 . . . . 0.0 110.143 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ASN . . . . . 0.496 ' O ' ' CB ' ' A' ' 9' ' ' CYS . 10.1 p-10 -97.79 123.25 41.66 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.145 -0.972 . . . . 0.0 110.486 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.1 m -60.62 -27.24 67.61 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.328 -0.857 . . . . 0.0 110.064 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -47.11 -34.29 5.86 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.34 -0.85 . . . . 0.0 110.28 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.17 120.18 34.94 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.207 -0.933 . . . . 0.0 110.208 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.445 ' HD2' ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -45.96 -44.43 14.9 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.342 -0.849 . . . . 0.0 109.873 179.849 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.445 ' NE1' ' CG ' ' A' ' 12' ' ' HIS . 42.5 t90 -47.22 -54.26 11.21 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.236 -0.915 . . . . 0.0 109.074 179.525 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 3' ' ' ASN . 48.6 t -44.22 -51.1 8.49 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.43 -0.794 . . . . 0.0 109.083 179.068 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.457 ' HG2' ' SG ' ' A' ' 16' ' ' CYS . 41.6 mtt180 -63.01 -26.84 69.04 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.634 -0.666 . . . . 0.0 110.425 179.721 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 8' ' ' TRP . 0.4 OUTLIER -89.89 -30.88 17.59 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.257 -0.902 . . . . 0.0 110.675 -179.527 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.445 ' CG ' ' NE1' ' A' ' 8' ' ' TRP . 13.2 m80 -98.32 11.49 37.83 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.026 -1.046 . . . . 0.0 110.454 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.461 ' HB2' ' O ' ' A' ' 9' ' ' CYS . 50.8 m -144.65 -178.34 5.96 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.196 -0.94 . . . . 0.0 110.249 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.2 ptp180 -138.63 18.44 2.7 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.226 -0.921 . . . . 0.0 110.357 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.0 p -86.48 -24.67 25.51 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.257 -0.902 . . . . 0.0 110.283 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.457 ' SG ' ' HG2' ' A' ' 10' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.644 0 O-C-N 121.205 -0.934 . . . . 0.0 110.18 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.447 ' HB2' ' HB2' ' A' ' 9' ' ' CYS . 26.9 p . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 121.197 0.522 . . . . 0.0 110.342 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ASN . . . . . 0.451 ' O ' ' SG ' ' A' ' 9' ' ' CYS . 19.9 p-10 -120.59 146.94 45.84 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.162 -0.961 . . . . 0.0 110.625 -179.603 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 17.1 m -68.91 -17.56 63.98 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.468 -0.77 . . . . 0.0 110.529 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.83 -9.48 54.89 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.161 -0.962 . . . . 0.0 110.727 -179.623 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.402 ' O ' ' HB3' ' A' ' 9' ' ' CYS . 0.6 OUTLIER -115.59 119.5 36.34 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.073 -1.017 . . . . 0.0 110.345 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.91 -38.6 51.02 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.304 -0.873 . . . . 0.0 109.857 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.568 ' NE1' ' CG ' ' A' ' 12' ' ' HIS . 52.9 t90 -54.97 -53.89 49.89 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.224 -0.922 . . . . 0.0 109.145 179.37 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.451 ' SG ' ' O ' ' A' ' 3' ' ' ASN . 5.9 t -45.32 -54.44 7.17 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.351 -0.843 . . . . 0.0 109.136 178.854 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.517 ' CD ' ' SG ' ' A' ' 16' ' ' CYS . 5.2 mtm180 -61.74 -22.74 65.64 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.891 -0.506 . . . . 0.0 110.715 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -97.68 -50.15 4.58 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.229 -0.919 . . . . 0.0 111.121 -179.346 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.568 ' CG ' ' NE1' ' A' ' 8' ' ' TRP . 7.2 m-70 -81.4 2.12 29.92 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.158 -0.964 . . . . 0.0 110.898 -179.266 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.431 ' OG ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -149.79 178.11 9.19 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.079 -1.013 . . . . 0.0 110.436 -179.827 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.8 ptt180 -128.74 7.69 5.71 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.351 -0.843 . . . . 0.0 110.204 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.6 t -59.82 -24.59 64.3 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.303 -0.873 . . . . 0.0 109.911 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.517 ' SG ' ' CD ' ' A' ' 10' ' ' ARG . 4.3 t . . . . . 0 N--CA 1.49 1.572 0 O-C-N 121.312 -0.868 . . . . 0.0 110.203 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.417 ' C ' ' SG ' ' A' ' 9' ' ' CYS . 9.8 p . . . . . 0 N--CA 1.49 1.563 0 CA-C-O 121.36 0.6 . . . . 0.0 110.192 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ASN . . . . . 0.438 ' O ' ' CB ' ' A' ' 9' ' ' CYS . 0.7 OUTLIER -81.33 108.23 14.78 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.406 -0.809 . . . . 0.0 110.114 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 40.0 m -58.25 -15.05 8.62 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.236 -0.915 . . . . 0.0 110.279 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.3 t -65.82 -8.92 24.36 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.342 -0.849 . . . . 0.0 110.33 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -114.61 125.7 54.07 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.257 -0.902 . . . . 0.0 110.417 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 6' ' ' SER . 0.3 OUTLIER -43.68 -35.45 1.81 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.307 -0.871 . . . . 0.0 110.045 179.882 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.53 ' O ' ' N ' ' A' ' 12' ' ' HIS . 77.3 t90 -57.74 -51.9 67.65 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.25 -0.906 . . . . 0.0 109.844 179.76 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.438 ' CB ' ' O ' ' A' ' 3' ' ' ASN . 49.4 t -54.47 -52.53 61.58 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.289 -0.882 . . . . 0.0 109.672 179.62 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 40.9 mtp85 -59.03 -27.87 65.88 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.373 -0.83 . . . . 0.0 110.467 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.36 -19.09 18.73 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.196 -0.94 . . . . 0.0 110.719 -179.702 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.53 ' N ' ' O ' ' A' ' 8' ' ' TRP . 5.9 m-70 -108.73 27.83 9.04 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.082 -1.011 . . . . 0.0 110.545 -179.67 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.432 ' OG ' ' O ' ' A' ' 9' ' ' CYS . 59.5 p -170.13 174.33 5.47 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.231 -0.918 . . . . 0.0 110.33 179.734 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.3 mtm180 -122.38 11.73 10.04 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.433 -0.792 . . . . 0.0 109.391 179.177 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -75.41 -40.37 57.9 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.386 -0.821 . . . . 0.0 110.225 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 58.0 m . . . . . 0 N--CA 1.487 1.408 0 O-C-N 121.271 -0.893 . . . . 0.0 110.225 179.906 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 6.4 p . . . . . 0 N--CA 1.493 1.688 0 CA-C-O 121.227 0.537 . . . . 0.0 110.142 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ASN . . . . . 0.468 ' O ' ' CB ' ' A' ' 9' ' ' CYS . 9.9 p30 -98.43 145.15 27.03 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.213 -0.93 . . . . 0.0 110.265 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 50.6 m -71.26 -24.78 62.24 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.424 -0.798 . . . . 0.0 110.543 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -48.25 -27.17 2.31 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.206 -0.934 . . . . 0.0 110.404 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -99.65 122.35 42.54 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.112 -0.992 . . . . 0.0 110.364 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.442 ' HA ' ' HD3' ' A' ' 10' ' ' ARG . 9.6 tttt -52.51 -34.62 50.48 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.319 -0.863 . . . . 0.0 109.475 179.675 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.578 ' CD1' ' CD2' ' A' ' 12' ' ' HIS . 45.2 t90 -55.41 -55.65 29.25 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.306 -0.871 . . . . 0.0 109.187 179.317 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.468 ' CB ' ' O ' ' A' ' 3' ' ' ASN . 54.0 t -45.15 -49.33 12.04 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.329 -0.857 . . . . 0.0 109.468 179.148 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.442 ' HD3' ' HA ' ' A' ' 7' ' ' LYS . 53.8 mtp85 -63.21 -30.76 71.84 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.64 -0.662 . . . . 0.0 110.478 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.33 -1.19 36.78 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.263 -0.898 . . . . 0.0 110.925 -179.457 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.578 ' CD2' ' CD1' ' A' ' 8' ' ' TRP . 5.9 m-70 -127.91 7.78 6.17 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.982 -1.074 . . . . 0.0 110.545 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.447 ' HB2' ' O ' ' A' ' 9' ' ' CYS . 58.0 m -148.18 -163.61 1.82 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.153 -0.967 . . . . 0.0 110.418 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.82 10.21 2.41 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.334 -0.854 . . . . 0.0 110.156 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.3 m -67.46 -45.08 77.02 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.22 -0.925 . . . . 0.0 110.122 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.402 ' SG ' ' CG ' ' A' ' 10' ' ' ARG . 98.3 m . . . . . 0 C--N 1.304 -1.378 0 O-C-N 121.156 -0.965 . . . . 0.0 110.271 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 20.7 p . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 121.334 0.588 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ASN . . . . . 0.422 ' ND2' ' H ' ' A' ' 3' ' ' ASN . 6.6 p30 -90.62 145.04 25.17 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.385 -0.822 . . . . 0.0 110.211 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.4 m -70.82 -7.83 48.17 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.293 -0.879 . . . . 0.0 110.202 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.36 -8.73 52.87 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.257 -0.902 . . . . 0.0 110.31 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.53 123.86 51.09 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.233 -0.917 . . . . 0.0 110.365 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.04 -38.47 51.65 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.24 -0.913 . . . . 0.0 109.689 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.408 ' O ' ' HB2' ' A' ' 12' ' ' HIS . 57.0 t90 -57.32 -56.58 19.94 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.24 -0.912 . . . . 0.0 109.377 179.48 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.496 ' O ' ' OG ' ' A' ' 13' ' ' SER . 42.7 t -46.1 -54.23 8.93 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.362 -0.836 . . . . 0.0 109.397 179.346 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.7 mtp180 -56.97 -31.8 65.41 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.365 -0.835 . . . . 0.0 110.167 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.7 15.67 27.47 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.323 -0.861 . . . . 0.0 110.926 -179.664 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.408 ' HB2' ' O ' ' A' ' 8' ' ' TRP . 12.0 m80 -145.05 17.74 1.58 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.877 -1.14 . . . . 0.0 111.263 -179.5 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.496 ' OG ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -160.45 -175.58 5.1 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.91 -1.119 . . . . 0.0 110.436 179.716 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.18 -12.55 9.44 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.323 -0.861 . . . . 0.0 110.348 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -46.24 -34.74 4.63 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.245 -0.91 . . . . 0.0 110.258 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.666 0 O-C-N 121.184 -0.947 . . . . 0.0 110.275 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.424 ' HB2' ' HB2' ' A' ' 9' ' ' CYS . 22.7 p . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.311 0.577 . . . . 0.0 110.019 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ASN . . . . . 0.5 ' N ' ' OD1' ' A' ' 3' ' ' ASN . 4.4 p-10 -116.55 132.75 56.6 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.183 -0.948 . . . . 0.0 110.3 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.493 ' O ' ' HD2' ' A' ' 10' ' ' ARG . 10.1 m -58.0 -14.25 6.15 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.338 -0.851 . . . . 0.0 110.228 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.3 -15.21 62.29 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.073 -1.017 . . . . 0.0 109.8 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.55 122.38 47.52 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.365 -0.835 . . . . 0.0 110.26 179.711 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.483 ' HA ' ' HD3' ' A' ' 10' ' ' ARG . 25.8 mttp -51.62 -39.83 58.75 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.334 -0.854 . . . . 0.0 109.886 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.692 ' CD1' ' CD2' ' A' ' 12' ' ' HIS . 56.8 t90 -52.28 -54.76 27.3 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.275 -0.891 . . . . 0.0 109.444 179.513 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.464 ' O ' ' OG ' ' A' ' 13' ' ' SER . 8.0 t -45.23 -53.23 8.53 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.339 -0.85 . . . . 0.0 108.964 179.084 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.493 ' HD2' ' O ' ' A' ' 4' ' ' CYS . 17.6 mtp180 -59.84 -32.73 70.95 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.77 -0.581 . . . . 0.0 110.531 179.714 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.25 7.37 46.71 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.2 -0.937 . . . . 0.0 110.557 -179.682 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.692 ' CD2' ' CD1' ' A' ' 8' ' ' TRP . 21.3 m-70 -134.39 22.73 3.73 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.189 -0.945 . . . . 0.0 110.255 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.464 ' OG ' ' O ' ' A' ' 9' ' ' CYS . 0.5 OUTLIER 176.54 143.05 0.07 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.32 -0.862 . . . . 0.0 110.182 179.898 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 15' ' ' CYS . 10.5 mtp180 -76.03 1.73 14.67 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.175 -0.953 . . . . 0.0 110.429 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.425 ' C ' ' O ' ' A' ' 14' ' ' ARG . 0.1 OUTLIER -42.97 -62.99 0.88 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.232 -0.918 . . . . 0.0 110.4 -179.849 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.405 ' SG ' ' HG2' ' A' ' 10' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.648 0 O-C-N 121.171 -0.956 . . . . 0.0 110.192 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 22.4 p . . . . . 0 N--CA 1.494 1.749 0 CA-C-O 121.23 0.538 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ASN . . . . . 0.491 ' OD1' ' N ' ' A' ' 3' ' ' ASN . 17.6 p-10 -95.78 136.52 36.09 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.236 -0.915 . . . . 0.0 110.463 -179.751 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.428 ' O ' ' NE ' ' A' ' 10' ' ' ARG . 22.9 m -67.14 -11.19 56.58 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.344 -0.847 . . . . 0.0 110.366 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.3 m -69.14 -6.56 29.39 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.305 -0.872 . . . . 0.0 110.452 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 7' ' ' LYS . 0.4 OUTLIER -115.54 117.51 30.54 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.119 -0.988 . . . . 0.0 110.26 -179.817 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 6' ' ' SER . 0.0 OUTLIER -44.7 -40.85 6.29 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.202 -0.936 . . . . 0.0 109.755 179.776 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.518 ' O ' ' N ' ' A' ' 12' ' ' HIS . 40.3 t90 -56.61 -54.66 43.37 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.236 -0.915 . . . . 0.0 109.372 179.52 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.461 ' N ' ' CE3' ' A' ' 8' ' ' TRP . 37.2 t -45.59 -53.55 8.95 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.313 -0.867 . . . . 0.0 109.524 179.199 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.428 ' NE ' ' O ' ' A' ' 4' ' ' CYS . 58.5 mtm180 -60.64 -29.76 69.46 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.655 -0.653 . . . . 0.0 110.152 179.794 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -99.85 1.22 42.76 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.376 -0.827 . . . . 0.0 110.795 -179.329 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.518 ' N ' ' O ' ' A' ' 8' ' ' TRP . 12.6 m80 -135.2 33.21 3.1 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.072 -1.017 . . . . 0.0 110.707 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.432 ' OG ' ' O ' ' A' ' 9' ' ' CYS . 64.2 p -166.34 -175.47 3.27 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.159 -0.963 . . . . 0.0 110.445 179.72 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.93 6.05 5.46 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.586 -0.696 . . . . 0.0 109.549 179.332 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.12 -37.57 81.27 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.278 -0.889 . . . . 0.0 110.461 -179.689 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.589 0 O-C-N 121.216 -0.928 . . . . 0.0 110.259 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 5.1 p . . . . . 0 N--CA 1.492 1.673 0 CA-C-O 121.259 0.552 . . . . 0.0 110.461 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 23.4 p-10 -86.28 122.23 29.97 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.238 -0.914 . . . . 0.0 110.379 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.485 ' O ' ' HD2' ' A' ' 10' ' ' ARG . 90.2 m -60.25 -20.14 57.68 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.588 -0.695 . . . . 0.0 110.35 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.9 m -56.74 -15.91 5.49 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.157 -0.965 . . . . 0.0 110.507 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 7' ' ' LYS . 0.5 OUTLIER -105.91 118.32 36.3 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.098 -1.001 . . . . 0.0 110.705 -179.706 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 6' ' ' SER . 16.2 tttm -41.04 -46.11 2.82 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.325 -0.859 . . . . 0.0 110.103 179.542 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.696 ' CD1' ' CD2' ' A' ' 12' ' ' HIS . 43.8 t90 -51.03 -56.12 14.1 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.389 -0.819 . . . . 0.0 109.548 179.498 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.462 ' N ' ' CE3' ' A' ' 8' ' ' TRP . 49.5 t -47.82 -46.63 31.0 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.328 -0.858 . . . . 0.0 110.025 179.391 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.485 ' HD2' ' O ' ' A' ' 4' ' ' CYS . 24.3 mtp180 -66.17 -27.71 68.22 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.581 -0.699 . . . . 0.0 110.777 -179.576 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 11' ' ' ASP . 4.6 m-20 -99.61 -21.52 15.83 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.073 -1.017 . . . . 0.0 110.88 -179.398 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.696 ' CD2' ' CD1' ' A' ' 8' ' ' TRP . 21.3 m-70 -99.33 9.46 43.29 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.076 -1.015 . . . . 0.0 110.54 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -148.91 166.51 28.36 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.139 -0.976 . . . . 0.0 110.158 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.9 ppt_? -119.83 7.54 10.99 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.129 -0.982 . . . . 0.0 110.177 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 27.8 p -92.44 -13.69 29.62 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.248 -0.907 . . . . 0.0 110.144 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.49 1.567 0 O-C-N 121.227 -0.921 . . . . 0.0 110.262 -179.858 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.478 ' SG ' ' CB ' ' A' ' 13' ' ' SER . 23.0 p . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 121.252 0.549 . . . . 0.0 110.233 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -108.0 122.25 46.46 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.228 -0.92 . . . . 0.0 110.294 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.492 ' O ' ' CD ' ' A' ' 10' ' ' ARG . 66.0 m -54.04 -30.62 48.52 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.332 -0.855 . . . . 0.0 110.293 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.25 -28.67 0.83 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.226 -0.921 . . . . 0.0 110.277 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.01 125.42 48.69 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.226 -0.921 . . . . 0.0 110.51 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.24 -32.19 10.2 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.241 -0.912 . . . . 0.0 109.393 179.448 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.53 ' O ' ' N ' ' A' ' 12' ' ' HIS . 78.3 t90 -56.05 -54.31 46.5 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.493 -0.754 . . . . 0.0 109.499 179.519 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 38.4 t -51.52 -52.12 49.57 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.383 -0.823 . . . . 0.0 109.957 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.492 ' CD ' ' O ' ' A' ' 4' ' ' CYS . 23.8 mtp180 -62.53 -29.47 70.59 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.576 -0.702 . . . . 0.0 111.197 -179.6 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.41 -13.3 18.79 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.963 -1.085 . . . . 0.0 111.784 -178.775 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.53 ' N ' ' O ' ' A' ' 8' ' ' TRP . 4.5 m-70 -104.93 -45.7 4.48 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.769 -1.207 . . . . 0.0 110.656 -179.699 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.478 ' CB ' ' SG ' ' A' ' 2' ' ' CYS . 15.2 m -93.0 177.7 5.99 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.205 -0.934 . . . . 0.0 110.551 -179.648 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.74 11.06 8.42 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.365 -0.834 . . . . 0.0 110.021 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.6 p -85.52 -18.95 31.98 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.212 -0.93 . . . . 0.0 110.204 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.484 ' SG ' ' HG2' ' A' ' 10' ' ' ARG . 7.4 t . . . . . 0 N--CA 1.49 1.526 0 O-C-N 121.15 -0.968 . . . . 0.0 110.184 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.461 ' SG ' ' HB2' ' A' ' 13' ' ' SER . 6.8 p . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 121.201 0.524 . . . . 0.0 110.159 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ASN . . . . . 0.486 ' OD1' ' N ' ' A' ' 3' ' ' ASN . 16.0 p-10 -84.66 144.68 28.42 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.333 -0.854 . . . . 0.0 110.224 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 36.3 m -68.55 -37.01 79.57 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.47 -0.768 . . . . 0.0 110.155 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -43.62 -30.96 0.67 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.286 -0.884 . . . . 0.0 110.438 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.88 112.32 21.64 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.262 -0.899 . . . . 0.0 110.425 -179.813 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.5 mmmt -47.4 -40.71 18.37 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.394 -0.816 . . . . 0.0 109.836 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.522 ' CE3' ' N ' ' A' ' 9' ' ' CYS . 36.5 t90 -52.4 -55.63 20.44 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.21 -0.931 . . . . 0.0 109.507 179.616 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.522 ' N ' ' CE3' ' A' ' 8' ' ' TRP . 41.2 t -45.87 -50.54 14.25 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.124 -0.985 . . . . 0.0 109.877 179.399 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.435 ' HG2' ' SG ' ' A' ' 16' ' ' CYS . 67.3 mtp85 -64.75 -37.95 89.35 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.735 -0.603 . . . . 0.0 111.286 -179.368 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.82 -31.35 20.88 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.985 -1.072 . . . . 0.0 111.057 -179.238 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.517 ' CG ' ' NE1' ' A' ' 8' ' ' TRP . 3.6 m-70 -91.47 -64.97 1.05 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.286 -0.884 . . . . 0.0 110.682 -179.347 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.461 ' HB2' ' SG ' ' A' ' 2' ' ' CYS . 0.4 OUTLIER -89.66 164.33 14.76 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.217 -0.927 . . . . 0.0 110.394 -179.575 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -111.54 2.52 17.44 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.346 -0.846 . . . . 0.0 109.877 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.2 m -54.97 -17.39 3.67 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.297 -0.877 . . . . 0.0 110.041 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.435 ' SG ' ' HG2' ' A' ' 10' ' ' ARG . 16.0 t . . . . . 0 N--CA 1.49 1.573 0 O-C-N 121.249 -0.907 . . . . 0.0 110.19 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.423 ' HB2' ' HB2' ' A' ' 9' ' ' CYS . 22.2 p . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.16 0.505 . . . . 0.0 110.234 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -119.38 151.85 37.81 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.263 -0.898 . . . . 0.0 110.574 -179.671 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.1 m -71.23 -12.99 61.76 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.423 -0.798 . . . . 0.0 110.135 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.8 t -72.13 -18.6 61.88 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.309 -0.869 . . . . 0.0 110.398 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -102.24 121.89 43.13 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.211 -0.931 . . . . 0.0 110.334 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.2 tttp -55.36 -42.03 73.36 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.247 -0.908 . . . . 0.0 110.021 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.526 ' O ' ' N ' ' A' ' 12' ' ' HIS . 28.2 t90 -52.85 -55.74 20.91 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.18 -0.95 . . . . 0.0 109.204 179.482 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.517 ' N ' ' CE3' ' A' ' 8' ' ' TRP . 6.0 t -44.2 -54.34 5.74 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.307 -0.871 . . . . 0.0 109.268 178.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.531 ' HG2' ' CB ' ' A' ' 16' ' ' CYS . 45.9 mtm180 -61.54 -30.53 70.71 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.814 -0.554 . . . . 0.0 110.537 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.34 3.68 43.47 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.308 -0.87 . . . . 0.0 111.027 -179.374 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.526 ' N ' ' O ' ' A' ' 8' ' ' TRP . 12.6 m80 -134.36 -5.54 2.62 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.977 -1.077 . . . . 0.0 111.052 -179.687 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -131.49 -176.11 3.92 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.922 -1.111 . . . . 0.0 110.418 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.6 ptt180 -124.83 16.25 8.65 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.248 -0.907 . . . . 0.0 110.254 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -80.48 -34.76 35.56 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.25 -0.906 . . . . 0.0 109.899 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.531 ' CB ' ' HG2' ' A' ' 10' ' ' ARG . 1.1 t . . . . . 0 N--CA 1.492 1.653 0 O-C-N 121.293 -0.88 . . . . 0.0 110.069 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 5.4 p . . . . . 0 N--CA 1.493 1.705 0 CA-C-O 121.381 0.61 . . . . 0.0 110.193 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -86.69 118.71 26.27 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.265 -0.897 . . . . 0.0 110.461 -179.68 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.7 m -56.27 -19.66 15.11 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.264 -0.897 . . . . 0.0 110.215 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.37 -44.17 79.91 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.312 -0.867 . . . . 0.0 110.29 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.84 121.76 26.36 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.293 -0.88 . . . . 0.0 110.2 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.4 tttp -49.03 -38.17 22.89 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.394 -0.817 . . . . 0.0 109.924 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.574 ' CD1' ' CD2' ' A' ' 12' ' ' HIS . 44.3 t90 -49.94 -49.03 51.48 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.287 -0.883 . . . . 0.0 109.398 179.59 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.457 ' O ' ' HB2' ' A' ' 13' ' ' SER . 42.8 t -54.28 -50.13 68.0 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.331 -0.856 . . . . 0.0 109.682 179.377 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.479 ' HG2' ' SG ' ' A' ' 16' ' ' CYS . 75.8 mtm180 -68.16 -23.52 64.88 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.554 -0.716 . . . . 0.0 110.801 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -98.39 -23.55 15.55 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.031 -1.043 . . . . 0.0 110.914 -179.277 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.574 ' CD2' ' CD1' ' A' ' 8' ' ' TRP . 14.0 m-70 -101.26 -31.91 10.76 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.119 -0.988 . . . . 0.0 110.544 -179.642 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.457 ' HB2' ' O ' ' A' ' 9' ' ' CYS . 68.7 m -103.96 -173.22 2.26 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.129 -0.982 . . . . 0.0 110.296 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.5 mtp85 -130.67 -2.34 4.24 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.27 -0.894 . . . . 0.0 110.37 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.7 m -55.35 -43.45 75.05 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.2 -0.937 . . . . 0.0 110.43 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.479 ' SG ' ' HG2' ' A' ' 10' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.608 0 O-C-N 121.121 -0.987 . . . . 0.0 110.248 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 2.0 t . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.182 0.515 . . . . 0.0 110.15 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.455 ' SG ' ' OG ' ' A' ' 13' ' ' SER . 23.5 p -72.82 -169.19 0.54 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.233 -0.917 . . . . 0.0 110.157 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.521 ' OD1' ' N ' ' A' ' 3' ' ' ASN . 9.6 p-10 -110.19 136.67 49.04 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.247 -0.908 . . . . 0.0 110.131 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.455 ' O ' ' HD2' ' A' ' 10' ' ' ARG . 30.7 m -69.48 -4.34 18.35 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.275 -0.891 . . . . 0.0 110.522 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.3 m -75.84 -6.12 49.23 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.21 -0.931 . . . . 0.0 110.322 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.58 131.89 53.74 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.252 -0.905 . . . . 0.0 110.416 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.405 ' HA ' ' HD3' ' A' ' 10' ' ' ARG . 4.4 tptt -55.87 -36.33 67.48 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.243 -0.911 . . . . 0.0 109.938 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 51.2 t90 -55.99 -49.2 74.29 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.324 -0.86 . . . . 0.0 109.438 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.486 ' CB ' ' O ' ' A' ' 3' ' ' ASN . 11.2 t -54.18 -52.68 60.44 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.381 -0.824 . . . . 0.0 109.532 179.251 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.455 ' HD2' ' O ' ' A' ' 4' ' ' CYS . 16.9 mtp180 -60.05 -28.25 67.62 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.732 -0.605 . . . . 0.0 110.714 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.39 -43.1 8.93 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.088 -1.007 . . . . 0.0 110.921 -179.457 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -84.27 9.37 13.16 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.131 -0.981 . . . . 0.0 110.94 -179.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.455 ' OG ' ' SG ' ' A' ' 2' ' ' CYS . 0.0 OUTLIER -160.26 147.03 15.85 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.088 -1.008 . . . . 0.0 110.31 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.3 mmt85 -102.7 18.98 20.07 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.321 -0.862 . . . . 0.0 110.139 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 71.7 m -71.33 -14.65 62.26 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.335 -0.853 . . . . 0.0 110.163 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -92.46 -21.07 20.38 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.224 -0.922 . . . . 0.0 110.068 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.36 0 O-C-N 120.0 -1.687 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 8.3 m . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.229 0.538 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 11.2 p -63.16 -178.07 0.21 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.168 -0.957 . . . . 0.0 110.153 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.499 ' O ' ' CB ' ' A' ' 9' ' ' CYS . 1.3 t-20 -93.5 127.54 39.2 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.335 -0.853 . . . . 0.0 110.222 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.0 m -59.93 -31.59 69.99 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.368 -0.832 . . . . 0.0 110.22 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.7 t -43.69 -40.57 4.29 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.309 -0.869 . . . . 0.0 110.483 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 7' ' ' LYS . 0.5 OUTLIER -86.88 115.44 24.29 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.246 -0.909 . . . . 0.0 110.586 -179.714 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 6' ' ' SER . 0.1 OUTLIER -44.71 -36.24 3.06 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.218 -0.926 . . . . 0.0 109.419 179.498 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.538 ' NE1' ' CG ' ' A' ' 12' ' ' HIS . 42.7 t90 -53.25 -49.7 66.33 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.381 -0.825 . . . . 0.0 109.436 179.343 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 3' ' ' ASN . 41.5 t -51.45 -51.35 55.65 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.306 -0.871 . . . . 0.0 109.408 179.141 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.454 ' HG2' ' SG ' ' A' ' 16' ' ' CYS . 69.2 mtm180 -66.78 -32.17 73.28 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.622 -0.674 . . . . 0.0 110.661 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.76 -54.56 4.61 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.208 -0.933 . . . . 0.0 110.589 -179.572 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.538 ' CG ' ' NE1' ' A' ' 8' ' ' TRP . 9.5 m80 -66.7 -39.08 87.92 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.225 -0.922 . . . . 0.0 110.312 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.466 ' HB2' ' O ' ' A' ' 9' ' ' CYS . 26.9 m -109.95 -170.56 1.67 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.239 -0.913 . . . . 0.0 110.18 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.11 22.2 1.21 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.298 -0.876 . . . . 0.0 110.102 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 84.0 m -80.64 4.0 20.12 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.371 -0.831 . . . . 0.0 110.178 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.454 ' SG ' ' HG2' ' A' ' 10' ' ' ARG . 0.8 OUTLIER -82.63 -51.31 7.87 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.243 -0.911 . . . . 0.0 110.206 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.283 0 O-C-N 119.793 -1.817 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.454 ' O ' ' O ' ' A' ' 2' ' ' CYS . 26.6 p . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 121.274 0.559 . . . . 0.0 110.187 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.454 ' O ' ' O ' ' A' ' 1' ' ' CYS . 5.9 p -53.05 -170.73 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.298 -0.877 . . . . 0.0 110.291 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.412 ' O ' ' CG ' ' A' ' 3' ' ' ASN . 18.7 p-10 -94.37 107.24 19.21 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.338 -0.851 . . . . 0.0 110.33 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.516 ' O ' ' NE ' ' A' ' 10' ' ' ARG . 99.2 m -46.47 -28.51 1.41 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.27 -0.894 . . . . 0.0 110.015 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -49.41 -29.17 5.97 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.253 -0.904 . . . . 0.0 110.1 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 7' ' ' LYS . 0.4 OUTLIER -91.48 120.11 32.02 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.22 -0.925 . . . . 0.0 110.257 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.527 ' HA ' ' HD2' ' A' ' 10' ' ' ARG . 4.1 mtpt -43.19 -44.84 5.37 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.286 -0.884 . . . . 0.0 109.76 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.488 ' CD1' ' CD2' ' A' ' 12' ' ' HIS . 42.3 t90 -50.94 -56.44 12.35 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.266 -0.896 . . . . 0.0 109.347 179.494 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.8 t -45.11 -47.31 12.08 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.297 -0.877 . . . . 0.0 109.472 179.112 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.527 ' HD2' ' HA ' ' A' ' 7' ' ' LYS . 6.5 mtt-85 -61.47 -39.33 90.5 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.623 -0.673 . . . . 0.0 110.249 179.677 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -94.25 13.46 23.35 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.313 -0.867 . . . . 0.0 110.505 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.488 ' CD2' ' CD1' ' A' ' 8' ' ' TRP . 4.5 m-70 -136.67 20.62 3.09 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.151 -0.968 . . . . 0.0 110.298 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.8 m -157.66 -170.17 3.11 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.338 -0.852 . . . . 0.0 110.249 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -136.11 2.52 2.81 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.391 -0.818 . . . . 0.0 110.318 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.2 p -84.47 -27.13 27.7 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.295 -0.878 . . . . 0.0 110.579 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 84.4 m -68.84 -10.29 56.08 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.061 -1.025 . . . . 0.0 110.367 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.382 0 O-C-N 119.883 -1.761 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 121.19 0.519 . . . . 0.0 110.089 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.3 p -146.55 -162.4 1.52 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.202 -0.936 . . . . 0.0 110.544 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.501 ' O ' ' CB ' ' A' ' 9' ' ' CYS . 19.6 p-10 -94.08 135.4 35.48 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.27 -0.894 . . . . 0.0 110.574 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 94.6 m -70.25 -7.25 40.75 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.731 -0.606 . . . . 0.0 110.272 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.22 -20.57 59.38 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.326 -0.859 . . . . 0.0 110.569 -179.726 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 7' ' ' LYS . 0.3 OUTLIER -113.08 125.17 54.08 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.997 -1.065 . . . . 0.0 110.825 -179.537 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 6' ' ' SER . 15.2 mttp -43.27 -43.07 4.68 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.325 -0.86 . . . . 0.0 109.762 179.346 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.488 ' CD1' ' ND1' ' A' ' 12' ' ' HIS . 46.1 t90 -49.17 -52.13 28.37 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.326 -0.859 . . . . 0.0 109.757 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.501 ' CB ' ' O ' ' A' ' 3' ' ' ASN . 14.6 t -52.65 -45.1 66.56 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.293 -0.879 . . . . 0.0 109.946 179.516 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.0 mtm180 -69.45 -23.81 63.72 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.501 -0.75 . . . . 0.0 110.517 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -98.83 -20.22 16.98 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.174 -0.954 . . . . 0.0 110.675 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.488 ' ND1' ' CD1' ' A' ' 8' ' ' TRP . 15.7 m80 -104.25 -4.36 23.12 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.076 -1.015 . . . . 0.0 110.668 -179.706 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.41 156.18 43.6 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.209 -0.932 . . . . 0.0 110.077 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.27 -2.46 29.04 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.194 -0.942 . . . . 0.0 110.284 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.5 m -55.07 -34.76 63.86 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.157 -0.964 . . . . 0.0 109.809 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 85.6 m -70.2 53.19 0.13 Allowed 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.293 -0.879 . . . . 0.0 110.194 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.318 0 O-C-N 119.809 -1.807 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.379 0.609 . . . . 0.0 110.152 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 7.3 p -55.2 -179.37 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.211 -0.931 . . . . 0.0 110.385 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -100.55 135.24 42.3 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.378 -0.827 . . . . 0.0 110.363 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.494 ' O ' ' HD2' ' A' ' 10' ' ' ARG . 86.9 m -64.03 -14.32 53.47 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.544 -0.722 . . . . 0.0 110.064 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.1 t -66.28 -11.26 49.41 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.253 -0.905 . . . . 0.0 109.926 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.76 118.84 37.59 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.232 -0.917 . . . . 0.0 110.293 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.459 ' O ' ' HB2' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -49.27 -36.69 21.32 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.319 -0.863 . . . . 0.0 109.913 179.739 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.513 ' CD1' ' CD2' ' A' ' 12' ' ' HIS . 45.0 t90 -56.58 -57.54 11.91 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.262 -0.899 . . . . 0.0 109.447 179.573 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.446 ' O ' ' OG ' ' A' ' 13' ' ' SER . 25.2 t -46.09 -54.95 7.65 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.27 -0.894 . . . . 0.0 109.435 179.31 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.494 ' HD2' ' O ' ' A' ' 4' ' ' CYS . 34.4 mtp180 -59.92 -29.89 68.68 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.611 -0.68 . . . . 0.0 110.342 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.459 ' HB2' ' O ' ' A' ' 7' ' ' LYS . 0.3 OUTLIER -100.12 6.79 44.91 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.288 -0.882 . . . . 0.0 110.428 -179.807 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.513 ' CD2' ' CD1' ' A' ' 8' ' ' TRP . 7.4 m-70 -132.9 13.11 4.35 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.149 -0.969 . . . . 0.0 110.475 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.446 ' OG ' ' O ' ' A' ' 9' ' ' CYS . 9.4 p -172.94 158.98 3.94 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.14 -0.975 . . . . 0.0 110.309 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.92 0.65 35.73 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.365 -0.834 . . . . 0.0 110.092 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 60.5 m -56.7 -16.94 7.27 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.325 -0.86 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.2 m -87.55 0.58 55.4 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.267 -0.896 . . . . 0.0 110.182 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.3 0 O-C-N 119.797 -1.814 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 49.9 t . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.296 0.57 . . . . 0.0 110.175 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.4 ' C ' ' SG ' ' A' ' 9' ' ' CYS . 7.1 p -131.77 -179.51 5.43 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.169 -0.957 . . . . 0.0 110.14 179.771 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 20.5 p-10 -85.63 117.05 24.29 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.237 -0.914 . . . . 0.0 110.252 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.518 ' O ' ' NE ' ' A' ' 10' ' ' ARG . 2.1 m -54.34 -27.08 33.52 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.336 -0.853 . . . . 0.0 110.256 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 4' ' ' CYS . 59.8 m -42.72 -34.87 0.98 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.165 -0.959 . . . . 0.0 110.379 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 7' ' ' LYS . 0.5 OUTLIER -90.84 119.76 31.31 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.244 -0.91 . . . . 0.0 110.355 -179.832 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.533 ' HA ' ' CD ' ' A' ' 10' ' ' ARG . 2.4 mtmm -42.19 -40.74 2.47 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.542 -0.724 . . . . 0.0 109.735 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.526 ' O ' ' N ' ' A' ' 12' ' ' HIS . 45.3 t90 -52.53 -57.4 10.07 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.349 -0.844 . . . . 0.0 109.505 179.496 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.422 ' C ' ' O ' ' A' ' 8' ' ' TRP . 44.5 t -44.51 -46.36 9.74 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.336 -0.852 . . . . 0.0 109.235 179.376 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.533 ' CD ' ' HA ' ' A' ' 7' ' ' LYS . 1.4 mtt-85 -62.91 -34.89 78.38 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.648 -0.657 . . . . 0.0 110.311 179.709 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -100.16 2.25 42.81 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.143 -0.973 . . . . 0.0 110.748 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.526 ' N ' ' O ' ' A' ' 8' ' ' TRP . 5.3 m-70 -134.04 38.85 3.15 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.053 -1.03 . . . . 0.0 110.23 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -171.1 -178.49 2.45 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.24 -0.913 . . . . 0.0 110.25 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.36 11.05 8.04 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.458 -0.776 . . . . 0.0 109.558 179.264 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.4 m -76.11 -27.83 57.25 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.42 -0.8 . . . . 0.0 109.897 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -91.77 57.19 3.15 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.33 -0.856 . . . . 0.0 110.208 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.402 0 O-C-N 119.936 -1.728 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 4.4 t . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.346 0.593 . . . . 0.0 110.148 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.5 p -65.83 169.93 5.97 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.355 -0.841 . . . . 0.0 110.624 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.458 ' O ' ' SG ' ' A' ' 9' ' ' CYS . 18.7 p-10 -72.24 132.1 43.62 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.432 -0.792 . . . . 0.0 110.204 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.422 ' O ' ' HD2' ' A' ' 10' ' ' ARG . 13.6 m -78.38 6.62 8.01 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.209 -0.932 . . . . 0.0 110.543 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 m -79.01 -18.63 53.28 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.182 -0.949 . . . . 0.0 110.265 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.08 125.69 51.38 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.237 -0.915 . . . . 0.0 110.523 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.6 tmtt? -50.89 -26.91 6.44 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.218 -0.926 . . . . 0.0 109.395 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.626 ' CD1' ' CD2' ' A' ' 12' ' ' HIS . 40.9 t90 -62.01 -55.95 24.05 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.301 -0.875 . . . . 0.0 108.973 179.266 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.458 ' SG ' ' O ' ' A' ' 3' ' ' ASN . 12.1 t -51.04 -57.54 8.39 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.442 -0.786 . . . . 0.0 109.76 179.144 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.471 ' HG2' ' SG ' ' A' ' 16' ' ' CYS . 14.3 mtp85 -50.81 -32.88 21.38 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.502 -0.749 . . . . 0.0 110.24 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -100.45 -2.97 31.89 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.237 -0.915 . . . . 0.0 110.708 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.626 ' CD2' ' CD1' ' A' ' 8' ' ' TRP . 6.8 m-70 -116.65 28.18 8.72 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.028 -1.045 . . . . 0.0 110.495 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.1 p -167.98 160.6 12.23 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.072 -1.017 . . . . 0.0 110.455 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.71 17.32 22.73 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.389 -0.819 . . . . 0.0 109.42 179.352 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.7 p -97.46 -37.22 10.07 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.518 -0.739 . . . . 0.0 110.56 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.471 ' SG ' ' HG2' ' A' ' 10' ' ' ARG . 5.5 t -64.9 81.43 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.146 -0.971 . . . . 0.0 110.198 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.378 0 O-C-N 119.93 -1.731 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 10.3 m . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.26 0.552 . . . . 0.0 110.117 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 6.2 p -47.05 168.89 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.093 -1.004 . . . . 0.0 110.339 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -80.39 126.73 31.55 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.477 -0.764 . . . . 0.0 110.176 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.429 ' O ' ' HD2' ' A' ' 10' ' ' ARG . 25.9 m -63.1 -13.8 40.76 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.258 -0.901 . . . . 0.0 110.116 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.9 p -49.04 -29.53 5.13 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.336 -0.852 . . . . 0.0 110.446 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.92 128.29 53.69 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.185 -0.947 . . . . 0.0 110.593 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.0 mttm -53.71 -25.26 17.66 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.391 -0.818 . . . . 0.0 109.409 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.478 ' CE3' ' N ' ' A' ' 9' ' ' CYS . 23.4 t90 -60.06 -49.54 77.25 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.431 -0.793 . . . . 0.0 109.22 179.183 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.478 ' N ' ' CE3' ' A' ' 8' ' ' TRP . 25.2 t -55.93 -54.34 45.93 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.492 -0.755 . . . . 0.0 109.718 179.435 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.459 ' HG2' ' SG ' ' A' ' 16' ' ' CYS . 35.2 mtp180 -58.32 -30.88 67.03 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.657 -0.652 . . . . 0.0 110.651 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -89.44 -52.34 5.08 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.957 -1.09 . . . . 0.0 110.33 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.476 ' HB2' ' O ' ' A' ' 8' ' ' TRP . 3.5 m-70 -67.55 -7.01 22.6 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.299 -0.876 . . . . 0.0 110.26 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -140.66 174.01 10.94 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.256 -0.903 . . . . 0.0 110.315 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.8 ptp85 -132.43 28.1 4.37 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.24 -0.912 . . . . 0.0 110.36 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 83.2 m -84.83 -31.61 23.73 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.259 -0.901 . . . . 0.0 109.891 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.459 ' SG ' ' HG2' ' A' ' 10' ' ' ARG . 0.5 OUTLIER -56.35 100.28 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.343 -0.848 . . . . 0.0 110.281 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 119.862 -1.774 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.469 ' O ' ' O ' ' A' ' 2' ' ' CYS . 20.7 p . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 121.177 0.513 . . . . 0.0 110.231 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.469 ' O ' ' O ' ' A' ' 1' ' ' CYS . 6.2 p -55.3 -163.95 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.265 -0.897 . . . . 0.0 110.143 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.496 ' O ' ' CB ' ' A' ' 9' ' ' CYS . 10.1 p-10 -97.79 123.25 41.66 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.145 -0.972 . . . . 0.0 110.486 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.1 m -60.62 -27.24 67.61 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.328 -0.857 . . . . 0.0 110.064 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -47.11 -34.29 5.86 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.34 -0.85 . . . . 0.0 110.28 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.17 120.18 34.94 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.207 -0.933 . . . . 0.0 110.208 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.445 ' HD2' ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -45.96 -44.43 14.9 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.342 -0.849 . . . . 0.0 109.873 179.849 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.445 ' NE1' ' CG ' ' A' ' 12' ' ' HIS . 42.5 t90 -47.22 -54.26 11.21 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.236 -0.915 . . . . 0.0 109.074 179.525 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 3' ' ' ASN . 48.6 t -44.22 -51.1 8.49 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.43 -0.794 . . . . 0.0 109.083 179.068 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.457 ' HG2' ' SG ' ' A' ' 16' ' ' CYS . 41.6 mtt180 -63.01 -26.84 69.04 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.634 -0.666 . . . . 0.0 110.425 179.721 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 8' ' ' TRP . 0.4 OUTLIER -89.89 -30.88 17.59 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.257 -0.902 . . . . 0.0 110.675 -179.527 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.445 ' CG ' ' NE1' ' A' ' 8' ' ' TRP . 13.2 m80 -98.32 11.49 37.83 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.026 -1.046 . . . . 0.0 110.454 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.461 ' HB2' ' O ' ' A' ' 9' ' ' CYS . 50.8 m -144.65 -178.34 5.96 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.196 -0.94 . . . . 0.0 110.249 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.2 ptp180 -138.63 18.44 2.7 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.226 -0.921 . . . . 0.0 110.357 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.0 p -86.48 -24.67 25.51 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.257 -0.902 . . . . 0.0 110.283 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.457 ' SG ' ' HG2' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -75.73 -150.23 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.205 -0.934 . . . . 0.0 110.18 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.377 0 O-C-N 119.809 -1.807 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 14.1 p . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.272 0.558 . . . . 0.0 110.209 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.447 ' HB2' ' HB2' ' A' ' 9' ' ' CYS . 26.9 p -73.12 -167.72 0.43 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.358 -0.839 . . . . 0.0 110.342 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.451 ' O ' ' SG ' ' A' ' 9' ' ' CYS . 19.9 p-10 -120.59 146.94 45.84 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.162 -0.961 . . . . 0.0 110.625 -179.603 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 17.1 m -68.91 -17.56 63.98 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.468 -0.77 . . . . 0.0 110.529 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.83 -9.48 54.89 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.161 -0.962 . . . . 0.0 110.727 -179.623 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.402 ' O ' ' HB3' ' A' ' 9' ' ' CYS . 0.6 OUTLIER -115.59 119.5 36.34 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.073 -1.017 . . . . 0.0 110.345 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.91 -38.6 51.02 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.304 -0.873 . . . . 0.0 109.857 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.568 ' NE1' ' CG ' ' A' ' 12' ' ' HIS . 52.9 t90 -54.97 -53.89 49.89 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.224 -0.922 . . . . 0.0 109.145 179.37 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.451 ' SG ' ' O ' ' A' ' 3' ' ' ASN . 5.9 t -45.32 -54.44 7.17 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.351 -0.843 . . . . 0.0 109.136 178.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.517 ' CD ' ' SG ' ' A' ' 16' ' ' CYS . 5.2 mtm180 -61.74 -22.74 65.64 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.891 -0.506 . . . . 0.0 110.715 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -97.68 -50.15 4.58 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.229 -0.919 . . . . 0.0 111.121 -179.346 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.568 ' CG ' ' NE1' ' A' ' 8' ' ' TRP . 7.2 m-70 -81.4 2.12 29.92 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.158 -0.964 . . . . 0.0 110.898 -179.266 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.431 ' OG ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -149.79 178.11 9.19 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.079 -1.013 . . . . 0.0 110.436 -179.827 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.8 ptt180 -128.74 7.69 5.71 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.351 -0.843 . . . . 0.0 110.204 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.6 t -59.82 -24.59 64.3 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.303 -0.873 . . . . 0.0 109.911 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.517 ' SG ' ' CD ' ' A' ' 10' ' ' ARG . 4.3 t -80.68 -47.45 14.02 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.312 -0.868 . . . . 0.0 110.203 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.328 0 O-C-N 119.804 -1.81 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.333 0.587 . . . . 0.0 110.209 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.417 ' C ' ' SG ' ' A' ' 9' ' ' CYS . 9.8 p -62.87 177.05 0.6 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.244 -0.91 . . . . 0.0 110.192 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.438 ' O ' ' CB ' ' A' ' 9' ' ' CYS . 0.7 OUTLIER -81.33 108.23 14.78 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.406 -0.809 . . . . 0.0 110.114 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 40.0 m -58.25 -15.05 8.62 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.236 -0.915 . . . . 0.0 110.279 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.3 t -65.82 -8.92 24.36 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.342 -0.849 . . . . 0.0 110.33 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -114.61 125.7 54.07 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.257 -0.902 . . . . 0.0 110.417 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 6' ' ' SER . 0.3 OUTLIER -43.68 -35.45 1.81 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.307 -0.871 . . . . 0.0 110.045 179.882 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.53 ' O ' ' N ' ' A' ' 12' ' ' HIS . 77.3 t90 -57.74 -51.9 67.65 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.25 -0.906 . . . . 0.0 109.844 179.76 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.438 ' CB ' ' O ' ' A' ' 3' ' ' ASN . 49.4 t -54.47 -52.53 61.58 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.289 -0.882 . . . . 0.0 109.672 179.62 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 40.9 mtp85 -59.03 -27.87 65.88 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.373 -0.83 . . . . 0.0 110.467 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.36 -19.09 18.73 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.196 -0.94 . . . . 0.0 110.719 -179.702 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.53 ' N ' ' O ' ' A' ' 8' ' ' TRP . 5.9 m-70 -108.73 27.83 9.04 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.082 -1.011 . . . . 0.0 110.545 -179.67 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.432 ' OG ' ' O ' ' A' ' 9' ' ' CYS . 59.5 p -170.13 174.33 5.47 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.231 -0.918 . . . . 0.0 110.33 179.734 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.3 mtm180 -122.38 11.73 10.04 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.433 -0.792 . . . . 0.0 109.391 179.177 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -75.41 -40.37 57.9 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.386 -0.821 . . . . 0.0 110.225 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 58.0 m -59.38 175.1 0.35 Allowed 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.271 -0.893 . . . . 0.0 110.225 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.377 0 O-C-N 119.858 -1.776 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.433 ' SG ' ' N ' ' A' ' 2' ' ' CYS . 16.2 t . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.297 0.57 . . . . 0.0 110.11 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.433 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 6.4 p -121.87 -174.46 2.88 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.216 -0.928 . . . . 0.0 110.142 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.468 ' O ' ' CB ' ' A' ' 9' ' ' CYS . 9.9 p30 -98.43 145.15 27.03 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.213 -0.93 . . . . 0.0 110.265 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 50.6 m -71.26 -24.78 62.24 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.424 -0.798 . . . . 0.0 110.543 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -48.25 -27.17 2.31 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.206 -0.934 . . . . 0.0 110.404 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -99.65 122.35 42.54 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.112 -0.992 . . . . 0.0 110.364 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.442 ' HA ' ' HD3' ' A' ' 10' ' ' ARG . 9.6 tttt -52.51 -34.62 50.48 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.319 -0.863 . . . . 0.0 109.475 179.675 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.578 ' CD1' ' CD2' ' A' ' 12' ' ' HIS . 45.2 t90 -55.41 -55.65 29.25 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.306 -0.871 . . . . 0.0 109.187 179.317 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.468 ' CB ' ' O ' ' A' ' 3' ' ' ASN . 54.0 t -45.15 -49.33 12.04 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.329 -0.857 . . . . 0.0 109.468 179.148 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.442 ' HD3' ' HA ' ' A' ' 7' ' ' LYS . 53.8 mtp85 -63.21 -30.76 71.84 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.64 -0.662 . . . . 0.0 110.478 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.33 -1.19 36.78 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.263 -0.898 . . . . 0.0 110.925 -179.457 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.578 ' CD2' ' CD1' ' A' ' 8' ' ' TRP . 5.9 m-70 -127.91 7.78 6.17 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.982 -1.074 . . . . 0.0 110.545 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.447 ' HB2' ' O ' ' A' ' 9' ' ' CYS . 58.0 m -148.18 -163.61 1.82 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.153 -0.967 . . . . 0.0 110.418 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.82 10.21 2.41 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.334 -0.854 . . . . 0.0 110.156 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.3 m -67.46 -45.08 77.02 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.22 -0.925 . . . . 0.0 110.122 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.402 ' SG ' ' CG ' ' A' ' 10' ' ' ARG . 98.3 m -57.57 -84.66 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.156 -0.965 . . . . 0.0 110.271 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.387 0 O-C-N 119.909 -1.744 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 24.8 p . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.23 0.538 . . . . 0.0 110.162 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 20.7 p -71.48 169.2 15.92 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.302 -0.873 . . . . 0.0 110.316 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.422 ' ND2' ' H ' ' A' ' 3' ' ' ASN . 6.6 p30 -90.62 145.04 25.17 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.385 -0.822 . . . . 0.0 110.211 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.4 m -70.82 -7.83 48.17 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.293 -0.879 . . . . 0.0 110.202 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.36 -8.73 52.87 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.257 -0.902 . . . . 0.0 110.31 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.53 123.86 51.09 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.233 -0.917 . . . . 0.0 110.365 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.04 -38.47 51.65 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.24 -0.913 . . . . 0.0 109.689 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.408 ' O ' ' HB2' ' A' ' 12' ' ' HIS . 57.0 t90 -57.32 -56.58 19.94 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.24 -0.912 . . . . 0.0 109.377 179.48 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.496 ' O ' ' OG ' ' A' ' 13' ' ' SER . 42.7 t -46.1 -54.23 8.93 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.362 -0.836 . . . . 0.0 109.397 179.346 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.7 mtp180 -56.97 -31.8 65.41 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.365 -0.835 . . . . 0.0 110.167 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.7 15.67 27.47 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.323 -0.861 . . . . 0.0 110.926 -179.664 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.408 ' HB2' ' O ' ' A' ' 8' ' ' TRP . 12.0 m80 -145.05 17.74 1.58 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.877 -1.14 . . . . 0.0 111.263 -179.5 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.496 ' OG ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -160.45 -175.58 5.1 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.91 -1.119 . . . . 0.0 110.436 179.716 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.18 -12.55 9.44 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.323 -0.861 . . . . 0.0 110.348 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -46.24 -34.74 4.63 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.245 -0.91 . . . . 0.0 110.258 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.07 -20.67 28.41 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.184 -0.947 . . . . 0.0 110.275 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.284 0 O-C-N 119.831 -1.793 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.1 t . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 121.179 0.514 . . . . 0.0 110.233 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.424 ' HB2' ' HB2' ' A' ' 9' ' ' CYS . 22.7 p -67.53 -174.35 0.4 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.274 -0.891 . . . . 0.0 110.019 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.5 ' N ' ' OD1' ' A' ' 3' ' ' ASN . 4.4 p-10 -116.55 132.75 56.6 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.183 -0.948 . . . . 0.0 110.3 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.493 ' O ' ' HD2' ' A' ' 10' ' ' ARG . 10.1 m -58.0 -14.25 6.15 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.338 -0.851 . . . . 0.0 110.228 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.3 -15.21 62.29 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.073 -1.017 . . . . 0.0 109.8 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.55 122.38 47.52 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.365 -0.835 . . . . 0.0 110.26 179.711 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.483 ' HA ' ' HD3' ' A' ' 10' ' ' ARG . 25.8 mttp -51.62 -39.83 58.75 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.334 -0.854 . . . . 0.0 109.886 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.692 ' CD1' ' CD2' ' A' ' 12' ' ' HIS . 56.8 t90 -52.28 -54.76 27.3 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.275 -0.891 . . . . 0.0 109.444 179.513 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.464 ' O ' ' OG ' ' A' ' 13' ' ' SER . 8.0 t -45.23 -53.23 8.53 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.339 -0.85 . . . . 0.0 108.964 179.084 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.493 ' HD2' ' O ' ' A' ' 4' ' ' CYS . 17.6 mtp180 -59.84 -32.73 70.95 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.77 -0.581 . . . . 0.0 110.531 179.714 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.25 7.37 46.71 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.2 -0.937 . . . . 0.0 110.557 -179.682 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.692 ' CD2' ' CD1' ' A' ' 8' ' ' TRP . 21.3 m-70 -134.39 22.73 3.73 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.189 -0.945 . . . . 0.0 110.255 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.464 ' OG ' ' O ' ' A' ' 9' ' ' CYS . 0.5 OUTLIER 176.54 143.05 0.07 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.32 -0.862 . . . . 0.0 110.182 179.898 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 15' ' ' CYS . 10.5 mtp180 -76.03 1.73 14.67 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.175 -0.953 . . . . 0.0 110.429 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.425 ' C ' ' O ' ' A' ' 14' ' ' ARG . 0.1 OUTLIER -42.97 -62.99 0.88 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.232 -0.918 . . . . 0.0 110.4 -179.849 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.405 ' SG ' ' HG2' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -59.48 -165.85 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.171 -0.956 . . . . 0.0 110.192 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.352 0 O-C-N 119.846 -1.783 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 13.4 p . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.206 0.527 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 22.4 p -88.23 -178.98 6.05 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.29 -0.881 . . . . 0.0 110.282 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.491 ' OD1' ' N ' ' A' ' 3' ' ' ASN . 17.6 p-10 -95.78 136.52 36.09 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.236 -0.915 . . . . 0.0 110.463 -179.751 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.428 ' O ' ' NE ' ' A' ' 10' ' ' ARG . 22.9 m -67.14 -11.19 56.58 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.344 -0.847 . . . . 0.0 110.366 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.3 m -69.14 -6.56 29.39 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.305 -0.872 . . . . 0.0 110.452 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 7' ' ' LYS . 0.4 OUTLIER -115.54 117.51 30.54 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.119 -0.988 . . . . 0.0 110.26 -179.817 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 6' ' ' SER . 0.0 OUTLIER -44.7 -40.85 6.29 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.202 -0.936 . . . . 0.0 109.755 179.776 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.518 ' O ' ' N ' ' A' ' 12' ' ' HIS . 40.3 t90 -56.61 -54.66 43.37 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.236 -0.915 . . . . 0.0 109.372 179.52 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.461 ' N ' ' CE3' ' A' ' 8' ' ' TRP . 37.2 t -45.59 -53.55 8.95 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.313 -0.867 . . . . 0.0 109.524 179.199 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.428 ' NE ' ' O ' ' A' ' 4' ' ' CYS . 58.5 mtm180 -60.64 -29.76 69.46 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.655 -0.653 . . . . 0.0 110.152 179.794 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -99.85 1.22 42.76 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.376 -0.827 . . . . 0.0 110.795 -179.329 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.518 ' N ' ' O ' ' A' ' 8' ' ' TRP . 12.6 m80 -135.2 33.21 3.1 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.072 -1.017 . . . . 0.0 110.707 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.432 ' OG ' ' O ' ' A' ' 9' ' ' CYS . 64.2 p -166.34 -175.47 3.27 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.159 -0.963 . . . . 0.0 110.445 179.72 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.93 6.05 5.46 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.586 -0.696 . . . . 0.0 109.549 179.332 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.12 -37.57 81.27 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.278 -0.889 . . . . 0.0 110.461 -179.689 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.47 102.64 6.98 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.216 -0.928 . . . . 0.0 110.259 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.368 0 O-C-N 119.831 -1.793 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 121.166 0.508 . . . . 0.0 110.185 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 5.1 p -127.99 -172.6 2.72 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.178 -0.951 . . . . 0.0 110.461 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 23.4 p-10 -86.28 122.23 29.97 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.238 -0.914 . . . . 0.0 110.379 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.485 ' O ' ' HD2' ' A' ' 10' ' ' ARG . 90.2 m -60.25 -20.14 57.68 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.588 -0.695 . . . . 0.0 110.35 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.9 m -56.74 -15.91 5.49 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.157 -0.965 . . . . 0.0 110.507 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 7' ' ' LYS . 0.5 OUTLIER -105.91 118.32 36.3 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.098 -1.001 . . . . 0.0 110.705 -179.706 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 6' ' ' SER . 16.2 tttm -41.04 -46.11 2.82 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.325 -0.859 . . . . 0.0 110.103 179.542 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.696 ' CD1' ' CD2' ' A' ' 12' ' ' HIS . 43.8 t90 -51.03 -56.12 14.1 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.389 -0.819 . . . . 0.0 109.548 179.498 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.462 ' N ' ' CE3' ' A' ' 8' ' ' TRP . 49.5 t -47.82 -46.63 31.0 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.328 -0.858 . . . . 0.0 110.025 179.391 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.485 ' HD2' ' O ' ' A' ' 4' ' ' CYS . 24.3 mtp180 -66.17 -27.71 68.22 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.581 -0.699 . . . . 0.0 110.777 -179.576 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 11' ' ' ASP . 4.6 m-20 -99.61 -21.52 15.83 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.073 -1.017 . . . . 0.0 110.88 -179.398 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.696 ' CD2' ' CD1' ' A' ' 8' ' ' TRP . 21.3 m-70 -99.33 9.46 43.29 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.076 -1.015 . . . . 0.0 110.54 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -148.91 166.51 28.36 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.139 -0.976 . . . . 0.0 110.158 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.9 ppt_? -119.83 7.54 10.99 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.129 -0.982 . . . . 0.0 110.177 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 27.8 p -92.44 -13.69 29.62 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.248 -0.907 . . . . 0.0 110.144 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.3 m -80.45 -82.81 0.11 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.227 -0.921 . . . . 0.0 110.262 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.404 0 O-C-N 119.956 -1.715 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 24.2 p . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 121.218 0.533 . . . . 0.0 110.187 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.478 ' SG ' ' CB ' ' A' ' 13' ' ' SER . 23.0 p -66.07 -177.01 0.45 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.19 -0.944 . . . . 0.0 110.233 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -108.0 122.25 46.46 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.228 -0.92 . . . . 0.0 110.294 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.492 ' O ' ' CD ' ' A' ' 10' ' ' ARG . 66.0 m -54.04 -30.62 48.52 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.332 -0.855 . . . . 0.0 110.293 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.25 -28.67 0.83 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.226 -0.921 . . . . 0.0 110.277 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.01 125.42 48.69 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.226 -0.921 . . . . 0.0 110.51 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.24 -32.19 10.2 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.241 -0.912 . . . . 0.0 109.393 179.448 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.53 ' O ' ' N ' ' A' ' 12' ' ' HIS . 78.3 t90 -56.05 -54.31 46.5 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.493 -0.754 . . . . 0.0 109.499 179.519 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 38.4 t -51.52 -52.12 49.57 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.383 -0.823 . . . . 0.0 109.957 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.492 ' CD ' ' O ' ' A' ' 4' ' ' CYS . 23.8 mtp180 -62.53 -29.47 70.59 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.576 -0.702 . . . . 0.0 111.197 -179.6 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.41 -13.3 18.79 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.963 -1.085 . . . . 0.0 111.784 -178.775 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.53 ' N ' ' O ' ' A' ' 8' ' ' TRP . 4.5 m-70 -104.93 -45.7 4.48 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.769 -1.207 . . . . 0.0 110.656 -179.699 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.478 ' CB ' ' SG ' ' A' ' 2' ' ' CYS . 15.2 m -93.0 177.7 5.99 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.205 -0.934 . . . . 0.0 110.551 -179.648 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.74 11.06 8.42 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.365 -0.834 . . . . 0.0 110.021 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.6 p -85.52 -18.95 31.98 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.212 -0.93 . . . . 0.0 110.204 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.484 ' SG ' ' HG2' ' A' ' 10' ' ' ARG . 7.4 t -73.32 -27.73 61.68 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.15 -0.968 . . . . 0.0 110.184 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.349 0 O-C-N 119.901 -1.749 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 8.9 m . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.198 0.523 . . . . 0.0 110.193 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.461 ' SG ' ' HB2' ' A' ' 13' ' ' SER . 6.8 p -122.36 169.82 10.56 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.236 -0.915 . . . . 0.0 110.159 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.486 ' OD1' ' N ' ' A' ' 3' ' ' ASN . 16.0 p-10 -84.66 144.68 28.42 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.333 -0.854 . . . . 0.0 110.224 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 36.3 m -68.55 -37.01 79.57 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.47 -0.768 . . . . 0.0 110.155 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -43.62 -30.96 0.67 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.286 -0.884 . . . . 0.0 110.438 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.88 112.32 21.64 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.262 -0.899 . . . . 0.0 110.425 -179.813 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.5 mmmt -47.4 -40.71 18.37 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.394 -0.816 . . . . 0.0 109.836 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.522 ' CE3' ' N ' ' A' ' 9' ' ' CYS . 36.5 t90 -52.4 -55.63 20.44 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.21 -0.931 . . . . 0.0 109.507 179.616 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.522 ' N ' ' CE3' ' A' ' 8' ' ' TRP . 41.2 t -45.87 -50.54 14.25 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.124 -0.985 . . . . 0.0 109.877 179.399 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.435 ' HG2' ' SG ' ' A' ' 16' ' ' CYS . 67.3 mtp85 -64.75 -37.95 89.35 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.735 -0.603 . . . . 0.0 111.286 -179.368 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.82 -31.35 20.88 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.985 -1.072 . . . . 0.0 111.057 -179.238 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.517 ' CG ' ' NE1' ' A' ' 8' ' ' TRP . 3.6 m-70 -91.47 -64.97 1.05 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.286 -0.884 . . . . 0.0 110.682 -179.347 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.461 ' HB2' ' SG ' ' A' ' 2' ' ' CYS . 0.4 OUTLIER -89.66 164.33 14.76 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.217 -0.927 . . . . 0.0 110.394 -179.575 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -111.54 2.52 17.44 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.346 -0.846 . . . . 0.0 109.877 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.2 m -54.97 -17.39 3.67 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.297 -0.877 . . . . 0.0 110.041 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.435 ' SG ' ' HG2' ' A' ' 10' ' ' ARG . 16.0 t -72.86 62.83 0.61 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.249 -0.907 . . . . 0.0 110.19 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.326 0 O-C-N 119.8 -1.812 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.408 ' O ' ' O ' ' A' ' 2' ' ' CYS . 28.1 p . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 121.226 0.536 . . . . 0.0 110.222 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.423 ' HB2' ' HB2' ' A' ' 9' ' ' CYS . 22.2 p -56.16 -167.02 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.22 -0.925 . . . . 0.0 110.234 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -119.38 151.85 37.81 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.263 -0.898 . . . . 0.0 110.574 -179.671 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.1 m -71.23 -12.99 61.76 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.423 -0.798 . . . . 0.0 110.135 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.8 t -72.13 -18.6 61.88 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.309 -0.869 . . . . 0.0 110.398 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -102.24 121.89 43.13 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.211 -0.931 . . . . 0.0 110.334 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.2 tttp -55.36 -42.03 73.36 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.247 -0.908 . . . . 0.0 110.021 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.526 ' O ' ' N ' ' A' ' 12' ' ' HIS . 28.2 t90 -52.85 -55.74 20.91 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.18 -0.95 . . . . 0.0 109.204 179.482 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.517 ' N ' ' CE3' ' A' ' 8' ' ' TRP . 6.0 t -44.2 -54.34 5.74 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.307 -0.871 . . . . 0.0 109.268 178.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.531 ' HG2' ' CB ' ' A' ' 16' ' ' CYS . 45.9 mtm180 -61.54 -30.53 70.71 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.814 -0.554 . . . . 0.0 110.537 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.34 3.68 43.47 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.308 -0.87 . . . . 0.0 111.027 -179.374 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.526 ' N ' ' O ' ' A' ' 8' ' ' TRP . 12.6 m80 -134.36 -5.54 2.62 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.977 -1.077 . . . . 0.0 111.052 -179.687 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -131.49 -176.11 3.92 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.922 -1.111 . . . . 0.0 110.418 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.6 ptt180 -124.83 16.25 8.65 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.248 -0.907 . . . . 0.0 110.254 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -80.48 -34.76 35.56 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.25 -0.906 . . . . 0.0 109.899 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.531 ' CB ' ' HG2' ' A' ' 10' ' ' ARG . 1.1 t -88.1 11.7 15.52 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.293 -0.88 . . . . 0.0 110.069 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.405 0 O-C-N 119.896 -1.752 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 121.353 0.597 . . . . 0.0 110.28 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 5.4 p -119.37 179.69 4.12 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.356 -0.84 . . . . 0.0 110.193 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -86.69 118.71 26.27 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.265 -0.897 . . . . 0.0 110.461 -179.68 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.7 m -56.27 -19.66 15.11 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.264 -0.897 . . . . 0.0 110.215 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.37 -44.17 79.91 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.312 -0.867 . . . . 0.0 110.29 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.84 121.76 26.36 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.293 -0.88 . . . . 0.0 110.2 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.4 tttp -49.03 -38.17 22.89 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.394 -0.817 . . . . 0.0 109.924 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.574 ' CD1' ' CD2' ' A' ' 12' ' ' HIS . 44.3 t90 -49.94 -49.03 51.48 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.287 -0.883 . . . . 0.0 109.398 179.59 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.457 ' O ' ' HB2' ' A' ' 13' ' ' SER . 42.8 t -54.28 -50.13 68.0 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.331 -0.856 . . . . 0.0 109.682 179.377 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.479 ' HG2' ' SG ' ' A' ' 16' ' ' CYS . 75.8 mtm180 -68.16 -23.52 64.88 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.554 -0.716 . . . . 0.0 110.801 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -98.39 -23.55 15.55 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.031 -1.043 . . . . 0.0 110.914 -179.277 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.574 ' CD2' ' CD1' ' A' ' 8' ' ' TRP . 14.0 m-70 -101.26 -31.91 10.76 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.119 -0.988 . . . . 0.0 110.544 -179.642 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.457 ' HB2' ' O ' ' A' ' 9' ' ' CYS . 68.7 m -103.96 -173.22 2.26 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.129 -0.982 . . . . 0.0 110.296 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.5 mtp85 -130.67 -2.34 4.24 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.27 -0.894 . . . . 0.0 110.37 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.7 m -55.35 -43.45 75.05 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.2 -0.937 . . . . 0.0 110.43 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.479 ' SG ' ' HG2' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -67.7 123.49 20.65 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.121 -0.987 . . . . 0.0 110.248 -179.858 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.363 0 O-C-N 119.909 -1.744 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.455 ' SG ' ' OG ' ' A' ' 13' ' ' SER . 23.5 p . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 121.148 0.499 . . . . 0.0 110.157 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . 0.521 ' OD1' ' N ' ' A' ' 3' ' ' ASN . 9.6 p-10 -110.19 136.67 49.04 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.247 -0.908 . . . . 0.0 110.131 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.455 ' O ' ' HD2' ' A' ' 10' ' ' ARG . 30.7 m -69.48 -4.34 18.35 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.275 -0.891 . . . . 0.0 110.522 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.3 m -75.84 -6.12 49.23 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.21 -0.931 . . . . 0.0 110.322 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.58 131.89 53.74 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.252 -0.905 . . . . 0.0 110.416 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.405 ' HA ' ' HD3' ' A' ' 10' ' ' ARG . 4.4 tptt -55.87 -36.33 67.48 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.243 -0.911 . . . . 0.0 109.938 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 51.2 t90 -55.99 -49.2 74.29 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.324 -0.86 . . . . 0.0 109.438 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.486 ' CB ' ' O ' ' A' ' 3' ' ' ASN . 11.2 t -54.18 -52.68 60.44 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.381 -0.824 . . . . 0.0 109.532 179.251 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.455 ' HD2' ' O ' ' A' ' 4' ' ' CYS . 16.9 mtp180 -60.05 -28.25 67.62 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.732 -0.605 . . . . 0.0 110.714 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.39 -43.1 8.93 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.088 -1.007 . . . . 0.0 110.921 -179.457 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -84.27 9.37 13.16 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.131 -0.981 . . . . 0.0 110.94 -179.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.455 ' OG ' ' SG ' ' A' ' 2' ' ' CYS . 0.0 OUTLIER -160.26 147.03 15.85 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.088 -1.008 . . . . 0.0 110.31 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.3 mmt85 -102.7 18.98 20.07 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.321 -0.862 . . . . 0.0 110.139 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 71.7 m -71.33 -14.65 62.26 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.335 -0.853 . . . . 0.0 110.163 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.606 0 O-C-N 121.224 -0.922 . . . . 0.0 110.068 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 11.2 p . . . . . 0 N--CA 1.49 1.56 0 CA-C-O 121.248 0.547 . . . . 0.0 110.153 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . 0.499 ' O ' ' CB ' ' A' ' 9' ' ' CYS . 0.7 OUTLIER -93.5 127.54 39.2 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.335 -0.853 . . . . 0.0 110.222 -179.848 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.0 m -59.93 -31.59 69.99 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.368 -0.832 . . . . 0.0 110.22 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.7 t -43.69 -40.57 4.29 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.309 -0.869 . . . . 0.0 110.483 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 7' ' ' LYS . 0.5 OUTLIER -86.88 115.44 24.29 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.246 -0.909 . . . . 0.0 110.586 -179.714 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 6' ' ' SER . 0.1 OUTLIER -44.71 -36.24 3.06 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.218 -0.926 . . . . 0.0 109.419 179.498 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.601 ' CD1' ' CD2' ' A' ' 12' ' ' HIS . 42.7 t90 -53.25 -49.7 66.33 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.381 -0.825 . . . . 0.0 109.436 179.343 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 3' ' ' ASN . 41.5 t -51.45 -51.35 55.65 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.306 -0.871 . . . . 0.0 109.408 179.141 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.454 ' HG2' ' SG ' ' A' ' 16' ' ' CYS . 69.2 mtm180 -66.78 -32.17 73.28 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.622 -0.674 . . . . 0.0 110.661 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.76 -54.56 4.61 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.208 -0.933 . . . . 0.0 110.589 -179.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.601 ' CD2' ' CD1' ' A' ' 8' ' ' TRP . 3.4 m-70 -66.7 -39.08 87.92 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.225 -0.922 . . . . 0.0 110.312 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.466 ' HB2' ' O ' ' A' ' 9' ' ' CYS . 26.9 m -109.95 -170.56 1.67 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.239 -0.913 . . . . 0.0 110.18 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.11 22.2 1.21 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.298 -0.876 . . . . 0.0 110.102 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 84.0 m -80.64 4.0 20.12 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.371 -0.831 . . . . 0.0 110.178 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.454 ' SG ' ' HG2' ' A' ' 10' ' ' ARG . 0.8 OUTLIER . . . . . 0 N--CA 1.491 1.586 0 O-C-N 121.243 -0.911 . . . . 0.0 110.206 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 5.9 p . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.261 0.553 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . 0.412 ' O ' ' CG ' ' A' ' 3' ' ' ASN . 18.7 p-10 -94.37 107.24 19.21 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.338 -0.851 . . . . 0.0 110.33 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.516 ' O ' ' NE ' ' A' ' 10' ' ' ARG . 99.2 m -46.47 -28.51 1.41 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.27 -0.894 . . . . 0.0 110.015 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -49.41 -29.17 5.97 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.253 -0.904 . . . . 0.0 110.1 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 7' ' ' LYS . 0.4 OUTLIER -91.48 120.11 32.02 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.22 -0.925 . . . . 0.0 110.257 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.527 ' HA ' ' HD2' ' A' ' 10' ' ' ARG . 4.1 mtpt -43.19 -44.84 5.37 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.286 -0.884 . . . . 0.0 109.76 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.488 ' CD1' ' CD2' ' A' ' 12' ' ' HIS . 42.3 t90 -50.94 -56.44 12.35 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.266 -0.896 . . . . 0.0 109.347 179.494 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.8 t -45.11 -47.31 12.08 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.297 -0.877 . . . . 0.0 109.472 179.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.527 ' HD2' ' HA ' ' A' ' 7' ' ' LYS . 6.5 mtt-85 -61.47 -39.33 90.5 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.623 -0.673 . . . . 0.0 110.249 179.677 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -94.25 13.46 23.35 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.313 -0.867 . . . . 0.0 110.505 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.488 ' CD2' ' CD1' ' A' ' 8' ' ' TRP . 4.5 m-70 -136.67 20.62 3.09 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.151 -0.968 . . . . 0.0 110.298 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.8 m -157.66 -170.17 3.11 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.338 -0.852 . . . . 0.0 110.249 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -136.11 2.52 2.81 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.391 -0.818 . . . . 0.0 110.318 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.2 p -84.47 -27.13 27.7 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.295 -0.878 . . . . 0.0 110.579 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 84.4 m . . . . . 0 N--CA 1.486 1.362 0 O-C-N 121.061 -1.025 . . . . 0.0 110.367 -179.871 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.3 p . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 121.321 0.581 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . 0.501 ' O ' ' CB ' ' A' ' 9' ' ' CYS . 19.6 p-10 -94.08 135.4 35.48 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.27 -0.894 . . . . 0.0 110.574 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 94.6 m -70.25 -7.25 40.75 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.731 -0.606 . . . . 0.0 110.272 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.22 -20.57 59.38 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.326 -0.859 . . . . 0.0 110.569 -179.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 7' ' ' LYS . 0.3 OUTLIER -113.08 125.17 54.08 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.997 -1.065 . . . . 0.0 110.825 -179.537 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 6' ' ' SER . 15.2 mttp -43.27 -43.07 4.68 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.325 -0.86 . . . . 0.0 109.762 179.346 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.681 ' CD1' ' CD2' ' A' ' 12' ' ' HIS . 46.1 t90 -49.17 -52.13 28.37 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.326 -0.859 . . . . 0.0 109.757 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.501 ' CB ' ' O ' ' A' ' 3' ' ' ASN . 14.6 t -52.65 -45.1 66.56 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.293 -0.879 . . . . 0.0 109.946 179.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.0 mtm180 -69.45 -23.81 63.72 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.501 -0.75 . . . . 0.0 110.517 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -98.83 -20.22 16.98 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.174 -0.954 . . . . 0.0 110.675 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.681 ' CD2' ' CD1' ' A' ' 8' ' ' TRP . 11.9 m-70 -104.25 -4.36 23.12 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.076 -1.015 . . . . 0.0 110.668 -179.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.41 156.18 43.6 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.209 -0.932 . . . . 0.0 110.077 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.27 -2.46 29.04 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.194 -0.942 . . . . 0.0 110.284 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.5 m -55.07 -34.76 63.86 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.157 -0.964 . . . . 0.0 109.809 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 85.6 m . . . . . 0 N--CA 1.487 1.379 0 O-C-N 121.293 -0.879 . . . . 0.0 110.194 179.774 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 7.3 p . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 121.348 0.594 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -100.55 135.24 42.3 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.378 -0.827 . . . . 0.0 110.363 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.494 ' O ' ' HD2' ' A' ' 10' ' ' ARG . 86.9 m -64.03 -14.32 53.47 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.544 -0.722 . . . . 0.0 110.064 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.1 t -66.28 -11.26 49.41 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.253 -0.905 . . . . 0.0 109.926 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.76 118.84 37.59 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.232 -0.917 . . . . 0.0 110.293 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.459 ' O ' ' HB2' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -49.27 -36.69 21.32 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.319 -0.863 . . . . 0.0 109.913 179.739 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.513 ' CD1' ' CD2' ' A' ' 12' ' ' HIS . 45.0 t90 -56.58 -57.54 11.91 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.262 -0.899 . . . . 0.0 109.447 179.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.446 ' O ' ' OG ' ' A' ' 13' ' ' SER . 25.2 t -46.09 -54.95 7.65 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.27 -0.894 . . . . 0.0 109.435 179.31 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.494 ' HD2' ' O ' ' A' ' 4' ' ' CYS . 34.4 mtp180 -59.92 -29.89 68.68 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.611 -0.68 . . . . 0.0 110.342 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.459 ' HB2' ' O ' ' A' ' 7' ' ' LYS . 0.3 OUTLIER -100.12 6.79 44.91 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.288 -0.882 . . . . 0.0 110.428 -179.807 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.513 ' CD2' ' CD1' ' A' ' 8' ' ' TRP . 7.4 m-70 -132.9 13.11 4.35 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.149 -0.969 . . . . 0.0 110.475 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.446 ' OG ' ' O ' ' A' ' 9' ' ' CYS . 9.4 p -172.94 158.98 3.94 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.14 -0.975 . . . . 0.0 110.309 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.92 0.65 35.73 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.365 -0.834 . . . . 0.0 110.092 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 60.5 m -56.7 -16.94 7.27 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.325 -0.86 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.267 -0.896 . . . . 0.0 110.182 -179.978 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.4 ' C ' ' SG ' ' A' ' 9' ' ' CYS . 7.1 p . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.235 0.54 . . . . 0.0 110.14 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 20.5 p-10 -85.63 117.05 24.29 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.237 -0.914 . . . . 0.0 110.252 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.518 ' O ' ' NE ' ' A' ' 10' ' ' ARG . 2.1 m -54.34 -27.08 33.52 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.336 -0.853 . . . . 0.0 110.256 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 4' ' ' CYS . 59.8 m -42.72 -34.87 0.98 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.165 -0.959 . . . . 0.0 110.379 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 7' ' ' LYS . 0.5 OUTLIER -90.84 119.76 31.31 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.244 -0.91 . . . . 0.0 110.355 -179.832 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.533 ' HA ' ' CD ' ' A' ' 10' ' ' ARG . 2.4 mtmm -42.19 -40.74 2.47 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.542 -0.724 . . . . 0.0 109.735 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.526 ' O ' ' N ' ' A' ' 12' ' ' HIS . 45.3 t90 -52.53 -57.4 10.07 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.349 -0.844 . . . . 0.0 109.505 179.496 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.422 ' C ' ' O ' ' A' ' 8' ' ' TRP . 44.5 t -44.51 -46.36 9.74 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.336 -0.852 . . . . 0.0 109.235 179.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.533 ' CD ' ' HA ' ' A' ' 7' ' ' LYS . 1.4 mtt-85 -62.91 -34.89 78.38 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.648 -0.657 . . . . 0.0 110.311 179.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -100.16 2.25 42.81 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.143 -0.973 . . . . 0.0 110.748 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.526 ' N ' ' O ' ' A' ' 8' ' ' TRP . 5.3 m-70 -134.04 38.85 3.15 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.053 -1.03 . . . . 0.0 110.23 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -171.1 -178.49 2.45 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.24 -0.913 . . . . 0.0 110.25 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.36 11.05 8.04 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.458 -0.776 . . . . 0.0 109.558 179.264 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.4 m -76.11 -27.83 57.25 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.42 -0.8 . . . . 0.0 109.897 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.33 -0.856 . . . . 0.0 110.208 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.5 p . . . . . 0 N--CA 1.49 1.551 0 CA-C-O 121.44 0.638 . . . . 0.0 110.624 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . 0.458 ' O ' ' SG ' ' A' ' 9' ' ' CYS . 18.7 p-10 -72.24 132.1 43.62 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.432 -0.792 . . . . 0.0 110.204 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.422 ' O ' ' HD2' ' A' ' 10' ' ' ARG . 13.6 m -78.38 6.62 8.01 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.209 -0.932 . . . . 0.0 110.543 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 m -79.01 -18.63 53.28 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.182 -0.949 . . . . 0.0 110.265 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.08 125.69 51.38 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.237 -0.915 . . . . 0.0 110.523 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.6 tmtt? -50.89 -26.91 6.44 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.218 -0.926 . . . . 0.0 109.395 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.626 ' CD1' ' CD2' ' A' ' 12' ' ' HIS . 40.9 t90 -62.01 -55.95 24.05 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.301 -0.875 . . . . 0.0 108.973 179.266 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.458 ' SG ' ' O ' ' A' ' 3' ' ' ASN . 12.1 t -51.04 -57.54 8.39 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.442 -0.786 . . . . 0.0 109.76 179.144 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.471 ' HG2' ' SG ' ' A' ' 16' ' ' CYS . 14.3 mtp85 -50.81 -32.88 21.38 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.502 -0.749 . . . . 0.0 110.24 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -100.45 -2.97 31.89 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.237 -0.915 . . . . 0.0 110.708 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.626 ' CD2' ' CD1' ' A' ' 8' ' ' TRP . 6.8 m-70 -116.65 28.18 8.72 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.028 -1.045 . . . . 0.0 110.495 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.1 p -167.98 160.6 12.23 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.072 -1.017 . . . . 0.0 110.455 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.71 17.32 22.73 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.389 -0.819 . . . . 0.0 109.42 179.352 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.7 p -97.46 -37.22 10.07 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.518 -0.739 . . . . 0.0 110.56 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.471 ' SG ' ' HG2' ' A' ' 10' ' ' ARG . 5.5 t . . . . . 0 N--CA 1.491 1.591 0 O-C-N 121.146 -0.971 . . . . 0.0 110.198 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 6.2 p . . . . . 0 N--CA 1.488 1.451 0 CA-C-O 121.455 0.645 . . . . 0.0 110.339 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -80.39 126.73 31.55 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.477 -0.764 . . . . 0.0 110.176 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.429 ' O ' ' HD2' ' A' ' 10' ' ' ARG . 25.9 m -63.1 -13.8 40.76 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.258 -0.901 . . . . 0.0 110.116 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.9 p -49.04 -29.53 5.13 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.336 -0.852 . . . . 0.0 110.446 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.92 128.29 53.69 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.185 -0.947 . . . . 0.0 110.593 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.0 mttm -53.71 -25.26 17.66 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.391 -0.818 . . . . 0.0 109.409 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.478 ' CE3' ' N ' ' A' ' 9' ' ' CYS . 23.4 t90 -60.06 -49.54 77.25 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.431 -0.793 . . . . 0.0 109.22 179.183 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.478 ' N ' ' CE3' ' A' ' 8' ' ' TRP . 25.2 t -55.93 -54.34 45.93 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.492 -0.755 . . . . 0.0 109.718 179.435 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.459 ' HG2' ' SG ' ' A' ' 16' ' ' CYS . 35.2 mtp180 -58.32 -30.88 67.03 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.657 -0.652 . . . . 0.0 110.651 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -89.44 -52.34 5.08 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.957 -1.09 . . . . 0.0 110.33 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.476 ' HB2' ' O ' ' A' ' 8' ' ' TRP . 3.5 m-70 -67.55 -7.01 22.6 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.299 -0.876 . . . . 0.0 110.26 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -140.66 174.01 10.94 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.256 -0.903 . . . . 0.0 110.315 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.8 ptp85 -132.43 28.1 4.37 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.24 -0.912 . . . . 0.0 110.36 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 83.2 m -84.83 -31.61 23.73 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.259 -0.901 . . . . 0.0 109.891 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.459 ' SG ' ' HG2' ' A' ' 10' ' ' ARG . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.597 0 O-C-N 121.343 -0.848 . . . . 0.0 110.281 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 6.2 p . . . . . 0 N--CA 1.493 1.688 0 CA-C-O 121.251 0.548 . . . . 0.0 110.143 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . 0.496 ' O ' ' CB ' ' A' ' 9' ' ' CYS . 10.1 p-10 -97.79 123.25 41.66 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.145 -0.972 . . . . 0.0 110.486 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.1 m -60.62 -27.24 67.61 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.328 -0.857 . . . . 0.0 110.064 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -47.11 -34.29 5.86 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.34 -0.85 . . . . 0.0 110.28 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.17 120.18 34.94 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.207 -0.933 . . . . 0.0 110.208 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.445 ' HD2' ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -45.96 -44.43 14.9 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.342 -0.849 . . . . 0.0 109.873 179.849 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.619 ' NE1' ' CD2' ' A' ' 12' ' ' HIS . 42.5 t90 -47.22 -54.26 11.21 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.236 -0.915 . . . . 0.0 109.074 179.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 3' ' ' ASN . 48.6 t -44.22 -51.1 8.49 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.43 -0.794 . . . . 0.0 109.083 179.068 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.457 ' HG2' ' SG ' ' A' ' 16' ' ' CYS . 41.6 mtt180 -63.01 -26.84 69.04 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.634 -0.666 . . . . 0.0 110.425 179.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 8' ' ' TRP . 0.4 OUTLIER -89.89 -30.88 17.59 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.257 -0.902 . . . . 0.0 110.675 -179.527 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.619 ' CD2' ' NE1' ' A' ' 8' ' ' TRP . 5.8 m-70 -98.32 11.49 37.83 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.026 -1.046 . . . . 0.0 110.454 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.461 ' HB2' ' O ' ' A' ' 9' ' ' CYS . 50.8 m -144.65 -178.34 5.96 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.196 -0.94 . . . . 0.0 110.249 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.2 ptp180 -138.63 18.44 2.7 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.226 -0.921 . . . . 0.0 110.357 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.0 p -86.48 -24.67 25.51 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.257 -0.902 . . . . 0.0 110.283 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.457 ' SG ' ' HG2' ' A' ' 10' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.644 0 O-C-N 121.205 -0.934 . . . . 0.0 110.18 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.447 ' HB2' ' HB2' ' A' ' 9' ' ' CYS . 26.9 p . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 121.197 0.522 . . . . 0.0 110.342 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . 0.451 ' O ' ' SG ' ' A' ' 9' ' ' CYS . 19.9 p-10 -120.59 146.94 45.84 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.162 -0.961 . . . . 0.0 110.625 -179.603 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 17.1 m -68.91 -17.56 63.98 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.468 -0.77 . . . . 0.0 110.529 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.83 -9.48 54.89 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.161 -0.962 . . . . 0.0 110.727 -179.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.402 ' O ' ' HB3' ' A' ' 9' ' ' CYS . 0.6 OUTLIER -115.59 119.5 36.34 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.073 -1.017 . . . . 0.0 110.345 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.91 -38.6 51.02 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.304 -0.873 . . . . 0.0 109.857 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.568 ' NE1' ' CG ' ' A' ' 12' ' ' HIS . 52.9 t90 -54.97 -53.89 49.89 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.224 -0.922 . . . . 0.0 109.145 179.37 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.451 ' SG ' ' O ' ' A' ' 3' ' ' ASN . 5.9 t -45.32 -54.44 7.17 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.351 -0.843 . . . . 0.0 109.136 178.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.517 ' CD ' ' SG ' ' A' ' 16' ' ' CYS . 5.2 mtm180 -61.74 -22.74 65.64 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.891 -0.506 . . . . 0.0 110.715 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -97.68 -50.15 4.58 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.229 -0.919 . . . . 0.0 111.121 -179.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.568 ' CG ' ' NE1' ' A' ' 8' ' ' TRP . 7.2 m-70 -81.4 2.12 29.92 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.158 -0.964 . . . . 0.0 110.898 -179.266 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.431 ' OG ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -149.79 178.11 9.19 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.079 -1.013 . . . . 0.0 110.436 -179.827 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.8 ptt180 -128.74 7.69 5.71 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.351 -0.843 . . . . 0.0 110.204 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.6 t -59.82 -24.59 64.3 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.303 -0.873 . . . . 0.0 109.911 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.517 ' SG ' ' CD ' ' A' ' 10' ' ' ARG . 4.3 t . . . . . 0 N--CA 1.49 1.572 0 O-C-N 121.312 -0.868 . . . . 0.0 110.203 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.417 ' C ' ' SG ' ' A' ' 9' ' ' CYS . 9.8 p . . . . . 0 N--CA 1.49 1.563 0 CA-C-O 121.36 0.6 . . . . 0.0 110.192 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . 0.438 ' O ' ' CB ' ' A' ' 9' ' ' CYS . 0.7 OUTLIER -81.33 108.23 14.78 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.406 -0.809 . . . . 0.0 110.114 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 40.0 m -58.25 -15.05 8.62 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.236 -0.915 . . . . 0.0 110.279 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.3 t -65.82 -8.92 24.36 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.342 -0.849 . . . . 0.0 110.33 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -114.61 125.7 54.07 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.257 -0.902 . . . . 0.0 110.417 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 6' ' ' SER . 0.3 OUTLIER -43.68 -35.45 1.81 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.307 -0.871 . . . . 0.0 110.045 179.882 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.53 ' O ' ' N ' ' A' ' 12' ' ' HIS . 77.3 t90 -57.74 -51.9 67.65 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.25 -0.906 . . . . 0.0 109.844 179.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.438 ' CB ' ' O ' ' A' ' 3' ' ' ASN . 49.4 t -54.47 -52.53 61.58 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.289 -0.882 . . . . 0.0 109.672 179.62 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 40.9 mtp85 -59.03 -27.87 65.88 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.373 -0.83 . . . . 0.0 110.467 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.36 -19.09 18.73 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.196 -0.94 . . . . 0.0 110.719 -179.702 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.53 ' N ' ' O ' ' A' ' 8' ' ' TRP . 5.9 m-70 -108.73 27.83 9.04 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.082 -1.011 . . . . 0.0 110.545 -179.67 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.432 ' OG ' ' O ' ' A' ' 9' ' ' CYS . 59.5 p -170.13 174.33 5.47 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.231 -0.918 . . . . 0.0 110.33 179.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.3 mtm180 -122.38 11.73 10.04 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.433 -0.792 . . . . 0.0 109.391 179.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -75.41 -40.37 57.9 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.386 -0.821 . . . . 0.0 110.225 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 58.0 m . . . . . 0 N--CA 1.487 1.408 0 O-C-N 121.271 -0.893 . . . . 0.0 110.225 179.906 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 6.4 p . . . . . 0 N--CA 1.493 1.688 0 CA-C-O 121.227 0.537 . . . . 0.0 110.142 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . 0.468 ' O ' ' CB ' ' A' ' 9' ' ' CYS . 2.9 p-10 -98.43 145.15 27.03 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.213 -0.93 . . . . 0.0 110.265 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 50.6 m -71.26 -24.78 62.24 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.424 -0.798 . . . . 0.0 110.543 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -48.25 -27.17 2.31 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.206 -0.934 . . . . 0.0 110.404 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -99.65 122.35 42.54 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.112 -0.992 . . . . 0.0 110.364 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.442 ' HA ' ' HD3' ' A' ' 10' ' ' ARG . 9.6 tttt -52.51 -34.62 50.48 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.319 -0.863 . . . . 0.0 109.475 179.675 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.578 ' CD1' ' CD2' ' A' ' 12' ' ' HIS . 45.2 t90 -55.41 -55.65 29.25 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.306 -0.871 . . . . 0.0 109.187 179.317 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.468 ' CB ' ' O ' ' A' ' 3' ' ' ASN . 54.0 t -45.15 -49.33 12.04 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.329 -0.857 . . . . 0.0 109.468 179.148 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.442 ' HD3' ' HA ' ' A' ' 7' ' ' LYS . 53.8 mtp85 -63.21 -30.76 71.84 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.64 -0.662 . . . . 0.0 110.478 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.33 -1.19 36.78 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.263 -0.898 . . . . 0.0 110.925 -179.457 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.578 ' CD2' ' CD1' ' A' ' 8' ' ' TRP . 5.9 m-70 -127.91 7.78 6.17 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.982 -1.074 . . . . 0.0 110.545 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.447 ' HB2' ' O ' ' A' ' 9' ' ' CYS . 58.0 m -148.18 -163.61 1.82 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.153 -0.967 . . . . 0.0 110.418 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.82 10.21 2.41 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.334 -0.854 . . . . 0.0 110.156 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.3 m -67.46 -45.08 77.02 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.22 -0.925 . . . . 0.0 110.122 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.402 ' SG ' ' CG ' ' A' ' 10' ' ' ARG . 98.3 m . . . . . 0 C--N 1.304 -1.378 0 O-C-N 121.156 -0.965 . . . . 0.0 110.271 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 20.7 p . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 121.334 0.588 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -90.62 145.04 25.17 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.385 -0.822 . . . . 0.0 110.211 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.4 m -70.82 -7.83 48.17 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.293 -0.879 . . . . 0.0 110.202 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.36 -8.73 52.87 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.257 -0.902 . . . . 0.0 110.31 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.53 123.86 51.09 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.233 -0.917 . . . . 0.0 110.365 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.04 -38.47 51.65 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.24 -0.913 . . . . 0.0 109.689 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.56 ' CD1' ' CD2' ' A' ' 12' ' ' HIS . 57.0 t90 -57.32 -56.58 19.94 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.24 -0.912 . . . . 0.0 109.377 179.48 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.496 ' O ' ' OG ' ' A' ' 13' ' ' SER . 42.7 t -46.1 -54.23 8.93 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.362 -0.836 . . . . 0.0 109.397 179.346 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.7 mtp180 -56.97 -31.8 65.41 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.365 -0.835 . . . . 0.0 110.167 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.7 15.67 27.47 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.323 -0.861 . . . . 0.0 110.926 -179.664 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.56 ' CD2' ' CD1' ' A' ' 8' ' ' TRP . 12.4 m-70 -145.05 17.74 1.58 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.877 -1.14 . . . . 0.0 111.263 -179.5 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.496 ' OG ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -160.45 -175.58 5.1 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.91 -1.119 . . . . 0.0 110.436 179.716 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.18 -12.55 9.44 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.323 -0.861 . . . . 0.0 110.348 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -46.24 -34.74 4.63 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.245 -0.91 . . . . 0.0 110.258 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.666 0 O-C-N 121.184 -0.947 . . . . 0.0 110.275 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.424 ' HB2' ' HB2' ' A' ' 9' ' ' CYS . 22.7 p . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.311 0.577 . . . . 0.0 110.019 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . 0.5 ' N ' ' OD1' ' A' ' 3' ' ' ASN . 4.4 p-10 -116.55 132.75 56.6 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.183 -0.948 . . . . 0.0 110.3 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.493 ' O ' ' HD2' ' A' ' 10' ' ' ARG . 10.1 m -58.0 -14.25 6.15 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.338 -0.851 . . . . 0.0 110.228 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.3 -15.21 62.29 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.073 -1.017 . . . . 0.0 109.8 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.55 122.38 47.52 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.365 -0.835 . . . . 0.0 110.26 179.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.483 ' HA ' ' HD3' ' A' ' 10' ' ' ARG . 25.8 mttp -51.62 -39.83 58.75 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.334 -0.854 . . . . 0.0 109.886 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.692 ' CD1' ' CD2' ' A' ' 12' ' ' HIS . 56.8 t90 -52.28 -54.76 27.3 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.275 -0.891 . . . . 0.0 109.444 179.513 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.464 ' O ' ' OG ' ' A' ' 13' ' ' SER . 8.0 t -45.23 -53.23 8.53 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.339 -0.85 . . . . 0.0 108.964 179.084 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.493 ' HD2' ' O ' ' A' ' 4' ' ' CYS . 17.6 mtp180 -59.84 -32.73 70.95 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.77 -0.581 . . . . 0.0 110.531 179.714 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.25 7.37 46.71 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.2 -0.937 . . . . 0.0 110.557 -179.682 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.692 ' CD2' ' CD1' ' A' ' 8' ' ' TRP . 21.3 m-70 -134.39 22.73 3.73 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.189 -0.945 . . . . 0.0 110.255 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.464 ' OG ' ' O ' ' A' ' 9' ' ' CYS . 0.5 OUTLIER 176.54 143.05 0.07 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.32 -0.862 . . . . 0.0 110.182 179.898 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 15' ' ' CYS . 10.5 mtp180 -76.03 1.73 14.67 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.175 -0.953 . . . . 0.0 110.429 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.425 ' C ' ' O ' ' A' ' 14' ' ' ARG . 0.1 OUTLIER -42.97 -62.99 0.88 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.232 -0.918 . . . . 0.0 110.4 -179.849 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.405 ' SG ' ' HG2' ' A' ' 10' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.648 0 O-C-N 121.171 -0.956 . . . . 0.0 110.192 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 22.4 p . . . . . 0 N--CA 1.494 1.749 0 CA-C-O 121.23 0.538 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . 0.491 ' OD1' ' N ' ' A' ' 3' ' ' ASN . 17.6 p-10 -95.78 136.52 36.09 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.236 -0.915 . . . . 0.0 110.463 -179.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.428 ' O ' ' NE ' ' A' ' 10' ' ' ARG . 22.9 m -67.14 -11.19 56.58 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.344 -0.847 . . . . 0.0 110.366 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.3 m -69.14 -6.56 29.39 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.305 -0.872 . . . . 0.0 110.452 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 7' ' ' LYS . 0.4 OUTLIER -115.54 117.51 30.54 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.119 -0.988 . . . . 0.0 110.26 -179.817 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 6' ' ' SER . 0.0 OUTLIER -44.7 -40.85 6.29 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.202 -0.936 . . . . 0.0 109.755 179.776 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.518 ' O ' ' N ' ' A' ' 12' ' ' HIS . 40.3 t90 -56.61 -54.66 43.37 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.236 -0.915 . . . . 0.0 109.372 179.52 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.461 ' N ' ' CE3' ' A' ' 8' ' ' TRP . 37.2 t -45.59 -53.55 8.95 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.313 -0.867 . . . . 0.0 109.524 179.199 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.428 ' NE ' ' O ' ' A' ' 4' ' ' CYS . 58.5 mtm180 -60.64 -29.76 69.46 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.655 -0.653 . . . . 0.0 110.152 179.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -99.85 1.22 42.76 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.376 -0.827 . . . . 0.0 110.795 -179.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.518 ' N ' ' O ' ' A' ' 8' ' ' TRP . 11.1 m-70 -135.2 33.21 3.1 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.072 -1.017 . . . . 0.0 110.707 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.432 ' OG ' ' O ' ' A' ' 9' ' ' CYS . 64.2 p -166.34 -175.47 3.27 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.159 -0.963 . . . . 0.0 110.445 179.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.93 6.05 5.46 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.586 -0.696 . . . . 0.0 109.549 179.332 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.12 -37.57 81.27 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.278 -0.889 . . . . 0.0 110.461 -179.689 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.589 0 O-C-N 121.216 -0.928 . . . . 0.0 110.259 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 5.1 p . . . . . 0 N--CA 1.492 1.673 0 CA-C-O 121.259 0.552 . . . . 0.0 110.461 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 23.4 p-10 -86.28 122.23 29.97 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.238 -0.914 . . . . 0.0 110.379 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.485 ' O ' ' HD2' ' A' ' 10' ' ' ARG . 90.2 m -60.25 -20.14 57.68 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.588 -0.695 . . . . 0.0 110.35 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.9 m -56.74 -15.91 5.49 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.157 -0.965 . . . . 0.0 110.507 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 7' ' ' LYS . 0.5 OUTLIER -105.91 118.32 36.3 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.098 -1.001 . . . . 0.0 110.705 -179.706 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 6' ' ' SER . 16.2 tttm -41.04 -46.11 2.82 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.325 -0.859 . . . . 0.0 110.103 179.542 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.696 ' CD1' ' CD2' ' A' ' 12' ' ' HIS . 43.8 t90 -51.03 -56.12 14.1 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.389 -0.819 . . . . 0.0 109.548 179.498 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.462 ' N ' ' CE3' ' A' ' 8' ' ' TRP . 49.5 t -47.82 -46.63 31.0 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.328 -0.858 . . . . 0.0 110.025 179.391 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.485 ' HD2' ' O ' ' A' ' 4' ' ' CYS . 24.3 mtp180 -66.17 -27.71 68.22 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.581 -0.699 . . . . 0.0 110.777 -179.576 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 11' ' ' ASP . 4.6 m-20 -99.61 -21.52 15.83 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.073 -1.017 . . . . 0.0 110.88 -179.398 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.696 ' CD2' ' CD1' ' A' ' 8' ' ' TRP . 21.3 m-70 -99.33 9.46 43.29 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.076 -1.015 . . . . 0.0 110.54 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -148.91 166.51 28.36 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.139 -0.976 . . . . 0.0 110.158 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.9 ppt_? -119.83 7.54 10.99 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.129 -0.982 . . . . 0.0 110.177 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 27.8 p -92.44 -13.69 29.62 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.248 -0.907 . . . . 0.0 110.144 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.49 1.567 0 O-C-N 121.227 -0.921 . . . . 0.0 110.262 -179.858 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.478 ' SG ' ' CB ' ' A' ' 13' ' ' SER . 23.0 p . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 121.252 0.549 . . . . 0.0 110.233 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -108.0 122.25 46.46 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.228 -0.92 . . . . 0.0 110.294 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.492 ' O ' ' CD ' ' A' ' 10' ' ' ARG . 66.0 m -54.04 -30.62 48.52 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.332 -0.855 . . . . 0.0 110.293 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.25 -28.67 0.83 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.226 -0.921 . . . . 0.0 110.277 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.01 125.42 48.69 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.226 -0.921 . . . . 0.0 110.51 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.24 -32.19 10.2 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.241 -0.912 . . . . 0.0 109.393 179.448 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.53 ' O ' ' N ' ' A' ' 12' ' ' HIS . 78.3 t90 -56.05 -54.31 46.5 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.493 -0.754 . . . . 0.0 109.499 179.519 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 38.4 t -51.52 -52.12 49.57 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.383 -0.823 . . . . 0.0 109.957 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.492 ' CD ' ' O ' ' A' ' 4' ' ' CYS . 23.8 mtp180 -62.53 -29.47 70.59 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.576 -0.702 . . . . 0.0 111.197 -179.6 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.41 -13.3 18.79 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.963 -1.085 . . . . 0.0 111.784 -178.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.53 ' N ' ' O ' ' A' ' 8' ' ' TRP . 4.5 m-70 -104.93 -45.7 4.48 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.769 -1.207 . . . . 0.0 110.656 -179.699 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.478 ' CB ' ' SG ' ' A' ' 2' ' ' CYS . 15.2 m -93.0 177.7 5.99 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.205 -0.934 . . . . 0.0 110.551 -179.648 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.74 11.06 8.42 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.365 -0.834 . . . . 0.0 110.021 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.6 p -85.52 -18.95 31.98 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.212 -0.93 . . . . 0.0 110.204 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.484 ' SG ' ' HG2' ' A' ' 10' ' ' ARG . 7.4 t . . . . . 0 N--CA 1.49 1.526 0 O-C-N 121.15 -0.968 . . . . 0.0 110.184 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.461 ' SG ' ' HB2' ' A' ' 13' ' ' SER . 6.8 p . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 121.201 0.524 . . . . 0.0 110.159 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . 0.486 ' OD1' ' N ' ' A' ' 3' ' ' ASN . 16.0 p-10 -84.66 144.68 28.42 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.333 -0.854 . . . . 0.0 110.224 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 36.3 m -68.55 -37.01 79.57 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.47 -0.768 . . . . 0.0 110.155 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -43.62 -30.96 0.67 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.286 -0.884 . . . . 0.0 110.438 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.88 112.32 21.64 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.262 -0.899 . . . . 0.0 110.425 -179.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.5 mmmt -47.4 -40.71 18.37 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.394 -0.816 . . . . 0.0 109.836 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.522 ' CE3' ' N ' ' A' ' 9' ' ' CYS . 36.5 t90 -52.4 -55.63 20.44 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.21 -0.931 . . . . 0.0 109.507 179.616 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.522 ' N ' ' CE3' ' A' ' 8' ' ' TRP . 41.2 t -45.87 -50.54 14.25 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.124 -0.985 . . . . 0.0 109.877 179.399 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.435 ' HG2' ' SG ' ' A' ' 16' ' ' CYS . 67.3 mtp85 -64.75 -37.95 89.35 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.735 -0.603 . . . . 0.0 111.286 -179.368 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.82 -31.35 20.88 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.985 -1.072 . . . . 0.0 111.057 -179.238 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.517 ' CG ' ' NE1' ' A' ' 8' ' ' TRP . 3.6 m-70 -91.47 -64.97 1.05 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.286 -0.884 . . . . 0.0 110.682 -179.347 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.461 ' HB2' ' SG ' ' A' ' 2' ' ' CYS . 0.4 OUTLIER -89.66 164.33 14.76 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.217 -0.927 . . . . 0.0 110.394 -179.575 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -111.54 2.52 17.44 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.346 -0.846 . . . . 0.0 109.877 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.2 m -54.97 -17.39 3.67 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.297 -0.877 . . . . 0.0 110.041 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.435 ' SG ' ' HG2' ' A' ' 10' ' ' ARG . 16.0 t . . . . . 0 N--CA 1.49 1.573 0 O-C-N 121.249 -0.907 . . . . 0.0 110.19 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.423 ' HB2' ' HB2' ' A' ' 9' ' ' CYS . 22.2 p . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.16 0.505 . . . . 0.0 110.234 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -119.38 151.85 37.81 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.263 -0.898 . . . . 0.0 110.574 -179.671 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.1 m -71.23 -12.99 61.76 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.423 -0.798 . . . . 0.0 110.135 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.8 t -72.13 -18.6 61.88 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.309 -0.869 . . . . 0.0 110.398 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -102.24 121.89 43.13 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.211 -0.931 . . . . 0.0 110.334 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.2 tttp -55.36 -42.03 73.36 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.247 -0.908 . . . . 0.0 110.021 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.526 ' O ' ' N ' ' A' ' 12' ' ' HIS . 28.2 t90 -52.85 -55.74 20.91 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.18 -0.95 . . . . 0.0 109.204 179.482 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.517 ' N ' ' CE3' ' A' ' 8' ' ' TRP . 6.0 t -44.2 -54.34 5.74 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.307 -0.871 . . . . 0.0 109.268 178.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.531 ' HG2' ' CB ' ' A' ' 16' ' ' CYS . 45.9 mtm180 -61.54 -30.53 70.71 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.814 -0.554 . . . . 0.0 110.537 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.34 3.68 43.47 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.308 -0.87 . . . . 0.0 111.027 -179.374 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.526 ' N ' ' O ' ' A' ' 8' ' ' TRP . 6.3 m-70 -134.36 -5.54 2.62 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.977 -1.077 . . . . 0.0 111.052 -179.687 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -131.49 -176.11 3.92 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.922 -1.111 . . . . 0.0 110.418 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.6 ptt180 -124.83 16.25 8.65 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.248 -0.907 . . . . 0.0 110.254 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -80.48 -34.76 35.56 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.25 -0.906 . . . . 0.0 109.899 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.531 ' CB ' ' HG2' ' A' ' 10' ' ' ARG . 1.1 t . . . . . 0 N--CA 1.492 1.653 0 O-C-N 121.293 -0.88 . . . . 0.0 110.069 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 5.4 p . . . . . 0 N--CA 1.493 1.705 0 CA-C-O 121.381 0.61 . . . . 0.0 110.193 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -86.69 118.71 26.27 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.265 -0.897 . . . . 0.0 110.461 -179.68 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.7 m -56.27 -19.66 15.11 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.264 -0.897 . . . . 0.0 110.215 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.37 -44.17 79.91 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.312 -0.867 . . . . 0.0 110.29 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.84 121.76 26.36 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.293 -0.88 . . . . 0.0 110.2 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.4 tttp -49.03 -38.17 22.89 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.394 -0.817 . . . . 0.0 109.924 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.574 ' CD1' ' CD2' ' A' ' 12' ' ' HIS . 44.3 t90 -49.94 -49.03 51.48 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.287 -0.883 . . . . 0.0 109.398 179.59 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.457 ' O ' ' HB2' ' A' ' 13' ' ' SER . 42.8 t -54.28 -50.13 68.0 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.331 -0.856 . . . . 0.0 109.682 179.377 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.479 ' HG2' ' SG ' ' A' ' 16' ' ' CYS . 75.8 mtm180 -68.16 -23.52 64.88 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.554 -0.716 . . . . 0.0 110.801 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -98.39 -23.55 15.55 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.031 -1.043 . . . . 0.0 110.914 -179.277 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.574 ' CD2' ' CD1' ' A' ' 8' ' ' TRP . 14.0 m-70 -101.26 -31.91 10.76 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.119 -0.988 . . . . 0.0 110.544 -179.642 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.457 ' HB2' ' O ' ' A' ' 9' ' ' CYS . 68.7 m -103.96 -173.22 2.26 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.129 -0.982 . . . . 0.0 110.296 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.5 mtp85 -130.67 -2.34 4.24 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.27 -0.894 . . . . 0.0 110.37 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.7 m -55.35 -43.45 75.05 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.2 -0.937 . . . . 0.0 110.43 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.479 ' SG ' ' HG2' ' A' ' 10' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.608 0 O-C-N 121.121 -0.987 . . . . 0.0 110.248 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 2.0 t . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.182 0.515 . . . . 0.0 110.15 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.455 ' SG ' ' OG ' ' A' ' 13' ' ' SER . 23.5 p -72.82 -169.19 0.54 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.233 -0.917 . . . . 0.0 110.157 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.521 ' OD1' ' N ' ' A' ' 3' ' ' ASN . 9.6 p-10 -110.19 136.67 49.04 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.247 -0.908 . . . . 0.0 110.131 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.455 ' O ' ' HD2' ' A' ' 10' ' ' ARG . 30.7 m -69.48 -4.34 18.35 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.275 -0.891 . . . . 0.0 110.522 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.3 m -75.84 -6.12 49.23 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.21 -0.931 . . . . 0.0 110.322 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.58 131.89 53.74 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.252 -0.905 . . . . 0.0 110.416 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.405 ' HA ' ' HD3' ' A' ' 10' ' ' ARG . 4.4 tptt -55.87 -36.33 67.48 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.243 -0.911 . . . . 0.0 109.938 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 51.2 t90 -55.99 -49.2 74.29 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.324 -0.86 . . . . 0.0 109.438 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.486 ' CB ' ' O ' ' A' ' 3' ' ' ASN . 11.2 t -54.18 -52.68 60.44 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.381 -0.824 . . . . 0.0 109.532 179.251 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.455 ' HD2' ' O ' ' A' ' 4' ' ' CYS . 16.9 mtp180 -60.05 -28.25 67.62 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.732 -0.605 . . . . 0.0 110.714 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.39 -43.1 8.93 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.088 -1.007 . . . . 0.0 110.921 -179.457 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -84.27 9.37 13.16 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.131 -0.981 . . . . 0.0 110.94 -179.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.455 ' OG ' ' SG ' ' A' ' 2' ' ' CYS . 0.0 OUTLIER -160.26 147.03 15.85 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.088 -1.008 . . . . 0.0 110.31 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.3 mmt85 -102.7 18.98 20.07 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.321 -0.862 . . . . 0.0 110.139 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 71.7 m -71.33 -14.65 62.26 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.335 -0.853 . . . . 0.0 110.163 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -92.46 -21.07 20.38 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.224 -0.922 . . . . 0.0 110.068 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.36 0 O-C-N 120.0 -1.687 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 8.3 m . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.229 0.538 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 11.2 p -63.16 -178.07 0.21 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.168 -0.957 . . . . 0.0 110.153 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.499 ' O ' ' CB ' ' A' ' 9' ' ' CYS . 0.7 OUTLIER -93.5 127.54 39.2 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.335 -0.853 . . . . 0.0 110.222 -179.848 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.0 m -59.93 -31.59 69.99 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.368 -0.832 . . . . 0.0 110.22 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.7 t -43.69 -40.57 4.29 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.309 -0.869 . . . . 0.0 110.483 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 7' ' ' LYS . 0.5 OUTLIER -86.88 115.44 24.29 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.246 -0.909 . . . . 0.0 110.586 -179.714 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 6' ' ' SER . 0.1 OUTLIER -44.71 -36.24 3.06 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.218 -0.926 . . . . 0.0 109.419 179.498 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.601 ' CD1' ' CD2' ' A' ' 12' ' ' HIS . 42.7 t90 -53.25 -49.7 66.33 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.381 -0.825 . . . . 0.0 109.436 179.343 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 3' ' ' ASN . 41.5 t -51.45 -51.35 55.65 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.306 -0.871 . . . . 0.0 109.408 179.141 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.454 ' HG2' ' SG ' ' A' ' 16' ' ' CYS . 69.2 mtm180 -66.78 -32.17 73.28 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.622 -0.674 . . . . 0.0 110.661 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.76 -54.56 4.61 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.208 -0.933 . . . . 0.0 110.589 -179.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.601 ' CD2' ' CD1' ' A' ' 8' ' ' TRP . 3.4 m-70 -66.7 -39.08 87.92 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.225 -0.922 . . . . 0.0 110.312 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.466 ' HB2' ' O ' ' A' ' 9' ' ' CYS . 26.9 m -109.95 -170.56 1.67 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.239 -0.913 . . . . 0.0 110.18 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.11 22.2 1.21 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.298 -0.876 . . . . 0.0 110.102 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 84.0 m -80.64 4.0 20.12 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.371 -0.831 . . . . 0.0 110.178 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.454 ' SG ' ' HG2' ' A' ' 10' ' ' ARG . 0.8 OUTLIER -82.63 -51.31 7.87 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.243 -0.911 . . . . 0.0 110.206 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.283 0 O-C-N 119.793 -1.817 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.454 ' O ' ' O ' ' A' ' 2' ' ' CYS . 26.6 p . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 121.274 0.559 . . . . 0.0 110.187 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.454 ' O ' ' O ' ' A' ' 1' ' ' CYS . 5.9 p -53.05 -170.73 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.298 -0.877 . . . . 0.0 110.291 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.412 ' O ' ' CG ' ' A' ' 3' ' ' ASN . 18.7 p-10 -94.37 107.24 19.21 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.338 -0.851 . . . . 0.0 110.33 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.516 ' O ' ' NE ' ' A' ' 10' ' ' ARG . 99.2 m -46.47 -28.51 1.41 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.27 -0.894 . . . . 0.0 110.015 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -49.41 -29.17 5.97 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.253 -0.904 . . . . 0.0 110.1 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 7' ' ' LYS . 0.4 OUTLIER -91.48 120.11 32.02 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.22 -0.925 . . . . 0.0 110.257 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.527 ' HA ' ' HD2' ' A' ' 10' ' ' ARG . 4.1 mtpt -43.19 -44.84 5.37 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.286 -0.884 . . . . 0.0 109.76 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.488 ' CD1' ' CD2' ' A' ' 12' ' ' HIS . 42.3 t90 -50.94 -56.44 12.35 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.266 -0.896 . . . . 0.0 109.347 179.494 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.8 t -45.11 -47.31 12.08 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.297 -0.877 . . . . 0.0 109.472 179.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.527 ' HD2' ' HA ' ' A' ' 7' ' ' LYS . 6.5 mtt-85 -61.47 -39.33 90.5 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.623 -0.673 . . . . 0.0 110.249 179.677 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -94.25 13.46 23.35 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.313 -0.867 . . . . 0.0 110.505 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.488 ' CD2' ' CD1' ' A' ' 8' ' ' TRP . 4.5 m-70 -136.67 20.62 3.09 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.151 -0.968 . . . . 0.0 110.298 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.8 m -157.66 -170.17 3.11 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.338 -0.852 . . . . 0.0 110.249 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -136.11 2.52 2.81 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.391 -0.818 . . . . 0.0 110.318 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.2 p -84.47 -27.13 27.7 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.295 -0.878 . . . . 0.0 110.579 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 84.4 m -68.84 -10.29 56.08 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.061 -1.025 . . . . 0.0 110.367 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.382 0 O-C-N 119.883 -1.761 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 121.19 0.519 . . . . 0.0 110.089 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.3 p -146.55 -162.4 1.52 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.202 -0.936 . . . . 0.0 110.544 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.501 ' O ' ' CB ' ' A' ' 9' ' ' CYS . 19.6 p-10 -94.08 135.4 35.48 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.27 -0.894 . . . . 0.0 110.574 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 94.6 m -70.25 -7.25 40.75 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.731 -0.606 . . . . 0.0 110.272 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.22 -20.57 59.38 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.326 -0.859 . . . . 0.0 110.569 -179.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 7' ' ' LYS . 0.3 OUTLIER -113.08 125.17 54.08 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.997 -1.065 . . . . 0.0 110.825 -179.537 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 6' ' ' SER . 15.2 mttp -43.27 -43.07 4.68 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.325 -0.86 . . . . 0.0 109.762 179.346 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.681 ' CD1' ' CD2' ' A' ' 12' ' ' HIS . 46.1 t90 -49.17 -52.13 28.37 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.326 -0.859 . . . . 0.0 109.757 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.501 ' CB ' ' O ' ' A' ' 3' ' ' ASN . 14.6 t -52.65 -45.1 66.56 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.293 -0.879 . . . . 0.0 109.946 179.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.0 mtm180 -69.45 -23.81 63.72 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.501 -0.75 . . . . 0.0 110.517 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -98.83 -20.22 16.98 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.174 -0.954 . . . . 0.0 110.675 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.681 ' CD2' ' CD1' ' A' ' 8' ' ' TRP . 11.9 m-70 -104.25 -4.36 23.12 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.076 -1.015 . . . . 0.0 110.668 -179.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.41 156.18 43.6 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.209 -0.932 . . . . 0.0 110.077 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.27 -2.46 29.04 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.194 -0.942 . . . . 0.0 110.284 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.5 m -55.07 -34.76 63.86 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.157 -0.964 . . . . 0.0 109.809 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 85.6 m -70.2 53.19 0.13 Allowed 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.293 -0.879 . . . . 0.0 110.194 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.318 0 O-C-N 119.809 -1.807 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.379 0.609 . . . . 0.0 110.152 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 7.3 p -55.2 -179.37 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.211 -0.931 . . . . 0.0 110.385 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -100.55 135.24 42.3 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.378 -0.827 . . . . 0.0 110.363 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.494 ' O ' ' HD2' ' A' ' 10' ' ' ARG . 86.9 m -64.03 -14.32 53.47 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.544 -0.722 . . . . 0.0 110.064 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.1 t -66.28 -11.26 49.41 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.253 -0.905 . . . . 0.0 109.926 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.76 118.84 37.59 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.232 -0.917 . . . . 0.0 110.293 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.459 ' O ' ' HB2' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -49.27 -36.69 21.32 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.319 -0.863 . . . . 0.0 109.913 179.739 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.513 ' CD1' ' CD2' ' A' ' 12' ' ' HIS . 45.0 t90 -56.58 -57.54 11.91 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.262 -0.899 . . . . 0.0 109.447 179.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.446 ' O ' ' OG ' ' A' ' 13' ' ' SER . 25.2 t -46.09 -54.95 7.65 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.27 -0.894 . . . . 0.0 109.435 179.31 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.494 ' HD2' ' O ' ' A' ' 4' ' ' CYS . 34.4 mtp180 -59.92 -29.89 68.68 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.611 -0.68 . . . . 0.0 110.342 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.459 ' HB2' ' O ' ' A' ' 7' ' ' LYS . 0.3 OUTLIER -100.12 6.79 44.91 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.288 -0.882 . . . . 0.0 110.428 -179.807 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.513 ' CD2' ' CD1' ' A' ' 8' ' ' TRP . 7.4 m-70 -132.9 13.11 4.35 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.149 -0.969 . . . . 0.0 110.475 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.446 ' OG ' ' O ' ' A' ' 9' ' ' CYS . 9.4 p -172.94 158.98 3.94 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.14 -0.975 . . . . 0.0 110.309 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.92 0.65 35.73 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.365 -0.834 . . . . 0.0 110.092 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 60.5 m -56.7 -16.94 7.27 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.325 -0.86 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.2 m -87.55 0.58 55.4 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.267 -0.896 . . . . 0.0 110.182 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.3 0 O-C-N 119.797 -1.814 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 49.9 t . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.296 0.57 . . . . 0.0 110.175 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.4 ' C ' ' SG ' ' A' ' 9' ' ' CYS . 7.1 p -131.77 -179.51 5.43 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.169 -0.957 . . . . 0.0 110.14 179.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 20.5 p-10 -85.63 117.05 24.29 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.237 -0.914 . . . . 0.0 110.252 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.518 ' O ' ' NE ' ' A' ' 10' ' ' ARG . 2.1 m -54.34 -27.08 33.52 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.336 -0.853 . . . . 0.0 110.256 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 4' ' ' CYS . 59.8 m -42.72 -34.87 0.98 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.165 -0.959 . . . . 0.0 110.379 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 7' ' ' LYS . 0.5 OUTLIER -90.84 119.76 31.31 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.244 -0.91 . . . . 0.0 110.355 -179.832 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.533 ' HA ' ' CD ' ' A' ' 10' ' ' ARG . 2.4 mtmm -42.19 -40.74 2.47 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.542 -0.724 . . . . 0.0 109.735 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.526 ' O ' ' N ' ' A' ' 12' ' ' HIS . 45.3 t90 -52.53 -57.4 10.07 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.349 -0.844 . . . . 0.0 109.505 179.496 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.422 ' C ' ' O ' ' A' ' 8' ' ' TRP . 44.5 t -44.51 -46.36 9.74 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.336 -0.852 . . . . 0.0 109.235 179.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.533 ' CD ' ' HA ' ' A' ' 7' ' ' LYS . 1.4 mtt-85 -62.91 -34.89 78.38 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.648 -0.657 . . . . 0.0 110.311 179.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -100.16 2.25 42.81 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.143 -0.973 . . . . 0.0 110.748 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.526 ' N ' ' O ' ' A' ' 8' ' ' TRP . 5.3 m-70 -134.04 38.85 3.15 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.053 -1.03 . . . . 0.0 110.23 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -171.1 -178.49 2.45 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.24 -0.913 . . . . 0.0 110.25 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.36 11.05 8.04 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.458 -0.776 . . . . 0.0 109.558 179.264 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.4 m -76.11 -27.83 57.25 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.42 -0.8 . . . . 0.0 109.897 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -91.77 57.19 3.15 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.33 -0.856 . . . . 0.0 110.208 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.402 0 O-C-N 119.936 -1.728 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 4.4 t . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.346 0.593 . . . . 0.0 110.148 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.5 p -65.83 169.93 5.97 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.355 -0.841 . . . . 0.0 110.624 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.458 ' O ' ' SG ' ' A' ' 9' ' ' CYS . 18.7 p-10 -72.24 132.1 43.62 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.432 -0.792 . . . . 0.0 110.204 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.422 ' O ' ' HD2' ' A' ' 10' ' ' ARG . 13.6 m -78.38 6.62 8.01 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.209 -0.932 . . . . 0.0 110.543 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 m -79.01 -18.63 53.28 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.182 -0.949 . . . . 0.0 110.265 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.08 125.69 51.38 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.237 -0.915 . . . . 0.0 110.523 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.6 tmtt? -50.89 -26.91 6.44 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.218 -0.926 . . . . 0.0 109.395 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.626 ' CD1' ' CD2' ' A' ' 12' ' ' HIS . 40.9 t90 -62.01 -55.95 24.05 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.301 -0.875 . . . . 0.0 108.973 179.266 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.458 ' SG ' ' O ' ' A' ' 3' ' ' ASN . 12.1 t -51.04 -57.54 8.39 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.442 -0.786 . . . . 0.0 109.76 179.144 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.471 ' HG2' ' SG ' ' A' ' 16' ' ' CYS . 14.3 mtp85 -50.81 -32.88 21.38 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.502 -0.749 . . . . 0.0 110.24 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -100.45 -2.97 31.89 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.237 -0.915 . . . . 0.0 110.708 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.626 ' CD2' ' CD1' ' A' ' 8' ' ' TRP . 6.8 m-70 -116.65 28.18 8.72 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.028 -1.045 . . . . 0.0 110.495 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.1 p -167.98 160.6 12.23 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.072 -1.017 . . . . 0.0 110.455 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.71 17.32 22.73 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.389 -0.819 . . . . 0.0 109.42 179.352 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.7 p -97.46 -37.22 10.07 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.518 -0.739 . . . . 0.0 110.56 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.471 ' SG ' ' HG2' ' A' ' 10' ' ' ARG . 5.5 t -64.9 81.43 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.146 -0.971 . . . . 0.0 110.198 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.378 0 O-C-N 119.93 -1.731 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 10.3 m . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.26 0.552 . . . . 0.0 110.117 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 6.2 p -47.05 168.89 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.093 -1.004 . . . . 0.0 110.339 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -80.39 126.73 31.55 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.477 -0.764 . . . . 0.0 110.176 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.429 ' O ' ' HD2' ' A' ' 10' ' ' ARG . 25.9 m -63.1 -13.8 40.76 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.258 -0.901 . . . . 0.0 110.116 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.9 p -49.04 -29.53 5.13 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.336 -0.852 . . . . 0.0 110.446 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.92 128.29 53.69 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.185 -0.947 . . . . 0.0 110.593 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.0 mttm -53.71 -25.26 17.66 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.391 -0.818 . . . . 0.0 109.409 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.478 ' CE3' ' N ' ' A' ' 9' ' ' CYS . 23.4 t90 -60.06 -49.54 77.25 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.431 -0.793 . . . . 0.0 109.22 179.183 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.478 ' N ' ' CE3' ' A' ' 8' ' ' TRP . 25.2 t -55.93 -54.34 45.93 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.492 -0.755 . . . . 0.0 109.718 179.435 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.459 ' HG2' ' SG ' ' A' ' 16' ' ' CYS . 35.2 mtp180 -58.32 -30.88 67.03 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.657 -0.652 . . . . 0.0 110.651 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -89.44 -52.34 5.08 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.957 -1.09 . . . . 0.0 110.33 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.476 ' HB2' ' O ' ' A' ' 8' ' ' TRP . 3.5 m-70 -67.55 -7.01 22.6 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.299 -0.876 . . . . 0.0 110.26 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -140.66 174.01 10.94 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.256 -0.903 . . . . 0.0 110.315 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.8 ptp85 -132.43 28.1 4.37 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.24 -0.912 . . . . 0.0 110.36 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 83.2 m -84.83 -31.61 23.73 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.259 -0.901 . . . . 0.0 109.891 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.459 ' SG ' ' HG2' ' A' ' 10' ' ' ARG . 0.5 OUTLIER -56.35 100.28 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.343 -0.848 . . . . 0.0 110.281 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 119.862 -1.774 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.469 ' O ' ' O ' ' A' ' 2' ' ' CYS . 20.7 p . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 121.177 0.513 . . . . 0.0 110.231 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.469 ' O ' ' O ' ' A' ' 1' ' ' CYS . 6.2 p -55.3 -163.95 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.265 -0.897 . . . . 0.0 110.143 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.496 ' O ' ' CB ' ' A' ' 9' ' ' CYS . 10.1 p-10 -97.79 123.25 41.66 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.145 -0.972 . . . . 0.0 110.486 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.1 m -60.62 -27.24 67.61 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.328 -0.857 . . . . 0.0 110.064 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -47.11 -34.29 5.86 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.34 -0.85 . . . . 0.0 110.28 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.17 120.18 34.94 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.207 -0.933 . . . . 0.0 110.208 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.445 ' HD2' ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -45.96 -44.43 14.9 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.342 -0.849 . . . . 0.0 109.873 179.849 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.619 ' NE1' ' CD2' ' A' ' 12' ' ' HIS . 42.5 t90 -47.22 -54.26 11.21 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.236 -0.915 . . . . 0.0 109.074 179.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 3' ' ' ASN . 48.6 t -44.22 -51.1 8.49 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.43 -0.794 . . . . 0.0 109.083 179.068 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.457 ' HG2' ' SG ' ' A' ' 16' ' ' CYS . 41.6 mtt180 -63.01 -26.84 69.04 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.634 -0.666 . . . . 0.0 110.425 179.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 8' ' ' TRP . 0.4 OUTLIER -89.89 -30.88 17.59 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.257 -0.902 . . . . 0.0 110.675 -179.527 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.619 ' CD2' ' NE1' ' A' ' 8' ' ' TRP . 5.8 m-70 -98.32 11.49 37.83 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.026 -1.046 . . . . 0.0 110.454 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.461 ' HB2' ' O ' ' A' ' 9' ' ' CYS . 50.8 m -144.65 -178.34 5.96 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.196 -0.94 . . . . 0.0 110.249 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.2 ptp180 -138.63 18.44 2.7 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.226 -0.921 . . . . 0.0 110.357 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.0 p -86.48 -24.67 25.51 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.257 -0.902 . . . . 0.0 110.283 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.457 ' SG ' ' HG2' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -75.73 -150.23 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.205 -0.934 . . . . 0.0 110.18 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.377 0 O-C-N 119.809 -1.807 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 14.1 p . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.272 0.558 . . . . 0.0 110.209 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.447 ' HB2' ' HB2' ' A' ' 9' ' ' CYS . 26.9 p -73.12 -167.72 0.43 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.358 -0.839 . . . . 0.0 110.342 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.451 ' O ' ' SG ' ' A' ' 9' ' ' CYS . 19.9 p-10 -120.59 146.94 45.84 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.162 -0.961 . . . . 0.0 110.625 -179.603 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 17.1 m -68.91 -17.56 63.98 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.468 -0.77 . . . . 0.0 110.529 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.83 -9.48 54.89 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.161 -0.962 . . . . 0.0 110.727 -179.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.402 ' O ' ' HB3' ' A' ' 9' ' ' CYS . 0.6 OUTLIER -115.59 119.5 36.34 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.073 -1.017 . . . . 0.0 110.345 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.91 -38.6 51.02 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.304 -0.873 . . . . 0.0 109.857 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.568 ' NE1' ' CG ' ' A' ' 12' ' ' HIS . 52.9 t90 -54.97 -53.89 49.89 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.224 -0.922 . . . . 0.0 109.145 179.37 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.451 ' SG ' ' O ' ' A' ' 3' ' ' ASN . 5.9 t -45.32 -54.44 7.17 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.351 -0.843 . . . . 0.0 109.136 178.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.517 ' CD ' ' SG ' ' A' ' 16' ' ' CYS . 5.2 mtm180 -61.74 -22.74 65.64 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.891 -0.506 . . . . 0.0 110.715 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -97.68 -50.15 4.58 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.229 -0.919 . . . . 0.0 111.121 -179.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.568 ' CG ' ' NE1' ' A' ' 8' ' ' TRP . 7.2 m-70 -81.4 2.12 29.92 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.158 -0.964 . . . . 0.0 110.898 -179.266 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.431 ' OG ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -149.79 178.11 9.19 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.079 -1.013 . . . . 0.0 110.436 -179.827 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.8 ptt180 -128.74 7.69 5.71 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.351 -0.843 . . . . 0.0 110.204 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.6 t -59.82 -24.59 64.3 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.303 -0.873 . . . . 0.0 109.911 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.517 ' SG ' ' CD ' ' A' ' 10' ' ' ARG . 4.3 t -80.68 -47.45 14.02 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.312 -0.868 . . . . 0.0 110.203 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.328 0 O-C-N 119.804 -1.81 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.333 0.587 . . . . 0.0 110.209 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.417 ' C ' ' SG ' ' A' ' 9' ' ' CYS . 9.8 p -62.87 177.05 0.6 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.244 -0.91 . . . . 0.0 110.192 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.438 ' O ' ' CB ' ' A' ' 9' ' ' CYS . 0.7 OUTLIER -81.33 108.23 14.78 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.406 -0.809 . . . . 0.0 110.114 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 40.0 m -58.25 -15.05 8.62 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.236 -0.915 . . . . 0.0 110.279 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.3 t -65.82 -8.92 24.36 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.342 -0.849 . . . . 0.0 110.33 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -114.61 125.7 54.07 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.257 -0.902 . . . . 0.0 110.417 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 6' ' ' SER . 0.3 OUTLIER -43.68 -35.45 1.81 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.307 -0.871 . . . . 0.0 110.045 179.882 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.53 ' O ' ' N ' ' A' ' 12' ' ' HIS . 77.3 t90 -57.74 -51.9 67.65 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.25 -0.906 . . . . 0.0 109.844 179.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.438 ' CB ' ' O ' ' A' ' 3' ' ' ASN . 49.4 t -54.47 -52.53 61.58 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.289 -0.882 . . . . 0.0 109.672 179.62 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 40.9 mtp85 -59.03 -27.87 65.88 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.373 -0.83 . . . . 0.0 110.467 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.36 -19.09 18.73 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.196 -0.94 . . . . 0.0 110.719 -179.702 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.53 ' N ' ' O ' ' A' ' 8' ' ' TRP . 5.9 m-70 -108.73 27.83 9.04 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.082 -1.011 . . . . 0.0 110.545 -179.67 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.432 ' OG ' ' O ' ' A' ' 9' ' ' CYS . 59.5 p -170.13 174.33 5.47 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.231 -0.918 . . . . 0.0 110.33 179.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.3 mtm180 -122.38 11.73 10.04 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.433 -0.792 . . . . 0.0 109.391 179.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -75.41 -40.37 57.9 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.386 -0.821 . . . . 0.0 110.225 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 58.0 m -59.38 175.1 0.35 Allowed 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.271 -0.893 . . . . 0.0 110.225 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.377 0 O-C-N 119.858 -1.776 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.433 ' SG ' ' N ' ' A' ' 2' ' ' CYS . 16.2 t . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.297 0.57 . . . . 0.0 110.11 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.433 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 6.4 p -121.87 -174.46 2.88 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.216 -0.928 . . . . 0.0 110.142 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.468 ' O ' ' CB ' ' A' ' 9' ' ' CYS . 2.9 p-10 -98.43 145.15 27.03 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.213 -0.93 . . . . 0.0 110.265 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 50.6 m -71.26 -24.78 62.24 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.424 -0.798 . . . . 0.0 110.543 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -48.25 -27.17 2.31 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.206 -0.934 . . . . 0.0 110.404 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -99.65 122.35 42.54 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.112 -0.992 . . . . 0.0 110.364 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.442 ' HA ' ' HD3' ' A' ' 10' ' ' ARG . 9.6 tttt -52.51 -34.62 50.48 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.319 -0.863 . . . . 0.0 109.475 179.675 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.578 ' CD1' ' CD2' ' A' ' 12' ' ' HIS . 45.2 t90 -55.41 -55.65 29.25 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.306 -0.871 . . . . 0.0 109.187 179.317 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.468 ' CB ' ' O ' ' A' ' 3' ' ' ASN . 54.0 t -45.15 -49.33 12.04 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.329 -0.857 . . . . 0.0 109.468 179.148 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.442 ' HD3' ' HA ' ' A' ' 7' ' ' LYS . 53.8 mtp85 -63.21 -30.76 71.84 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.64 -0.662 . . . . 0.0 110.478 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.33 -1.19 36.78 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.263 -0.898 . . . . 0.0 110.925 -179.457 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.578 ' CD2' ' CD1' ' A' ' 8' ' ' TRP . 5.9 m-70 -127.91 7.78 6.17 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.982 -1.074 . . . . 0.0 110.545 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.447 ' HB2' ' O ' ' A' ' 9' ' ' CYS . 58.0 m -148.18 -163.61 1.82 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.153 -0.967 . . . . 0.0 110.418 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.82 10.21 2.41 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.334 -0.854 . . . . 0.0 110.156 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.3 m -67.46 -45.08 77.02 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.22 -0.925 . . . . 0.0 110.122 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.402 ' SG ' ' CG ' ' A' ' 10' ' ' ARG . 98.3 m -57.57 -84.66 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.156 -0.965 . . . . 0.0 110.271 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.387 0 O-C-N 119.909 -1.744 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 24.8 p . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.23 0.538 . . . . 0.0 110.162 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 20.7 p -71.48 169.2 15.92 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.302 -0.873 . . . . 0.0 110.316 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -90.62 145.04 25.17 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.385 -0.822 . . . . 0.0 110.211 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.4 m -70.82 -7.83 48.17 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.293 -0.879 . . . . 0.0 110.202 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.36 -8.73 52.87 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.257 -0.902 . . . . 0.0 110.31 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.53 123.86 51.09 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.233 -0.917 . . . . 0.0 110.365 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.04 -38.47 51.65 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.24 -0.913 . . . . 0.0 109.689 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.56 ' CD1' ' CD2' ' A' ' 12' ' ' HIS . 57.0 t90 -57.32 -56.58 19.94 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.24 -0.912 . . . . 0.0 109.377 179.48 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.496 ' O ' ' OG ' ' A' ' 13' ' ' SER . 42.7 t -46.1 -54.23 8.93 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.362 -0.836 . . . . 0.0 109.397 179.346 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.7 mtp180 -56.97 -31.8 65.41 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.365 -0.835 . . . . 0.0 110.167 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.7 15.67 27.47 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.323 -0.861 . . . . 0.0 110.926 -179.664 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.56 ' CD2' ' CD1' ' A' ' 8' ' ' TRP . 12.4 m-70 -145.05 17.74 1.58 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.877 -1.14 . . . . 0.0 111.263 -179.5 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.496 ' OG ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -160.45 -175.58 5.1 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.91 -1.119 . . . . 0.0 110.436 179.716 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.18 -12.55 9.44 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.323 -0.861 . . . . 0.0 110.348 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -46.24 -34.74 4.63 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.245 -0.91 . . . . 0.0 110.258 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.07 -20.67 28.41 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.184 -0.947 . . . . 0.0 110.275 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.284 0 O-C-N 119.831 -1.793 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.1 t . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 121.179 0.514 . . . . 0.0 110.233 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.424 ' HB2' ' HB2' ' A' ' 9' ' ' CYS . 22.7 p -67.53 -174.35 0.4 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.274 -0.891 . . . . 0.0 110.019 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.5 ' N ' ' OD1' ' A' ' 3' ' ' ASN . 4.4 p-10 -116.55 132.75 56.6 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.183 -0.948 . . . . 0.0 110.3 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.493 ' O ' ' HD2' ' A' ' 10' ' ' ARG . 10.1 m -58.0 -14.25 6.15 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.338 -0.851 . . . . 0.0 110.228 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.3 -15.21 62.29 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.073 -1.017 . . . . 0.0 109.8 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.55 122.38 47.52 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.365 -0.835 . . . . 0.0 110.26 179.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.483 ' HA ' ' HD3' ' A' ' 10' ' ' ARG . 25.8 mttp -51.62 -39.83 58.75 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.334 -0.854 . . . . 0.0 109.886 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.692 ' CD1' ' CD2' ' A' ' 12' ' ' HIS . 56.8 t90 -52.28 -54.76 27.3 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.275 -0.891 . . . . 0.0 109.444 179.513 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.464 ' O ' ' OG ' ' A' ' 13' ' ' SER . 8.0 t -45.23 -53.23 8.53 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.339 -0.85 . . . . 0.0 108.964 179.084 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.493 ' HD2' ' O ' ' A' ' 4' ' ' CYS . 17.6 mtp180 -59.84 -32.73 70.95 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.77 -0.581 . . . . 0.0 110.531 179.714 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.25 7.37 46.71 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.2 -0.937 . . . . 0.0 110.557 -179.682 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.692 ' CD2' ' CD1' ' A' ' 8' ' ' TRP . 21.3 m-70 -134.39 22.73 3.73 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.189 -0.945 . . . . 0.0 110.255 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.464 ' OG ' ' O ' ' A' ' 9' ' ' CYS . 0.5 OUTLIER 176.54 143.05 0.07 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.32 -0.862 . . . . 0.0 110.182 179.898 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 15' ' ' CYS . 10.5 mtp180 -76.03 1.73 14.67 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.175 -0.953 . . . . 0.0 110.429 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.425 ' C ' ' O ' ' A' ' 14' ' ' ARG . 0.1 OUTLIER -42.97 -62.99 0.88 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.232 -0.918 . . . . 0.0 110.4 -179.849 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.405 ' SG ' ' HG2' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -59.48 -165.85 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.171 -0.956 . . . . 0.0 110.192 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.352 0 O-C-N 119.846 -1.783 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 13.4 p . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.206 0.527 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 22.4 p -88.23 -178.98 6.05 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.29 -0.881 . . . . 0.0 110.282 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.491 ' OD1' ' N ' ' A' ' 3' ' ' ASN . 17.6 p-10 -95.78 136.52 36.09 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.236 -0.915 . . . . 0.0 110.463 -179.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.428 ' O ' ' NE ' ' A' ' 10' ' ' ARG . 22.9 m -67.14 -11.19 56.58 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.344 -0.847 . . . . 0.0 110.366 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.3 m -69.14 -6.56 29.39 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.305 -0.872 . . . . 0.0 110.452 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 7' ' ' LYS . 0.4 OUTLIER -115.54 117.51 30.54 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.119 -0.988 . . . . 0.0 110.26 -179.817 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 6' ' ' SER . 0.0 OUTLIER -44.7 -40.85 6.29 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.202 -0.936 . . . . 0.0 109.755 179.776 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.518 ' O ' ' N ' ' A' ' 12' ' ' HIS . 40.3 t90 -56.61 -54.66 43.37 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.236 -0.915 . . . . 0.0 109.372 179.52 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.461 ' N ' ' CE3' ' A' ' 8' ' ' TRP . 37.2 t -45.59 -53.55 8.95 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.313 -0.867 . . . . 0.0 109.524 179.199 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.428 ' NE ' ' O ' ' A' ' 4' ' ' CYS . 58.5 mtm180 -60.64 -29.76 69.46 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.655 -0.653 . . . . 0.0 110.152 179.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -99.85 1.22 42.76 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.376 -0.827 . . . . 0.0 110.795 -179.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.518 ' N ' ' O ' ' A' ' 8' ' ' TRP . 11.1 m-70 -135.2 33.21 3.1 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.072 -1.017 . . . . 0.0 110.707 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.432 ' OG ' ' O ' ' A' ' 9' ' ' CYS . 64.2 p -166.34 -175.47 3.27 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.159 -0.963 . . . . 0.0 110.445 179.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.93 6.05 5.46 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.586 -0.696 . . . . 0.0 109.549 179.332 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.12 -37.57 81.27 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.278 -0.889 . . . . 0.0 110.461 -179.689 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.47 102.64 6.98 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.216 -0.928 . . . . 0.0 110.259 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.368 0 O-C-N 119.831 -1.793 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 121.166 0.508 . . . . 0.0 110.185 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 5.1 p -127.99 -172.6 2.72 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.178 -0.951 . . . . 0.0 110.461 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 23.4 p-10 -86.28 122.23 29.97 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.238 -0.914 . . . . 0.0 110.379 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.485 ' O ' ' HD2' ' A' ' 10' ' ' ARG . 90.2 m -60.25 -20.14 57.68 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.588 -0.695 . . . . 0.0 110.35 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.9 m -56.74 -15.91 5.49 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.157 -0.965 . . . . 0.0 110.507 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 7' ' ' LYS . 0.5 OUTLIER -105.91 118.32 36.3 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.098 -1.001 . . . . 0.0 110.705 -179.706 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 6' ' ' SER . 16.2 tttm -41.04 -46.11 2.82 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.325 -0.859 . . . . 0.0 110.103 179.542 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.696 ' CD1' ' CD2' ' A' ' 12' ' ' HIS . 43.8 t90 -51.03 -56.12 14.1 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.389 -0.819 . . . . 0.0 109.548 179.498 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.462 ' N ' ' CE3' ' A' ' 8' ' ' TRP . 49.5 t -47.82 -46.63 31.0 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.328 -0.858 . . . . 0.0 110.025 179.391 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.485 ' HD2' ' O ' ' A' ' 4' ' ' CYS . 24.3 mtp180 -66.17 -27.71 68.22 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.581 -0.699 . . . . 0.0 110.777 -179.576 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 11' ' ' ASP . 4.6 m-20 -99.61 -21.52 15.83 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.073 -1.017 . . . . 0.0 110.88 -179.398 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.696 ' CD2' ' CD1' ' A' ' 8' ' ' TRP . 21.3 m-70 -99.33 9.46 43.29 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.076 -1.015 . . . . 0.0 110.54 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -148.91 166.51 28.36 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.139 -0.976 . . . . 0.0 110.158 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.9 ppt_? -119.83 7.54 10.99 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.129 -0.982 . . . . 0.0 110.177 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 27.8 p -92.44 -13.69 29.62 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.248 -0.907 . . . . 0.0 110.144 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.3 m -80.45 -82.81 0.11 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.227 -0.921 . . . . 0.0 110.262 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.404 0 O-C-N 119.956 -1.715 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 24.2 p . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 121.218 0.533 . . . . 0.0 110.187 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.478 ' SG ' ' CB ' ' A' ' 13' ' ' SER . 23.0 p -66.07 -177.01 0.45 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.19 -0.944 . . . . 0.0 110.233 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -108.0 122.25 46.46 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.228 -0.92 . . . . 0.0 110.294 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.492 ' O ' ' CD ' ' A' ' 10' ' ' ARG . 66.0 m -54.04 -30.62 48.52 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.332 -0.855 . . . . 0.0 110.293 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.25 -28.67 0.83 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.226 -0.921 . . . . 0.0 110.277 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.01 125.42 48.69 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.226 -0.921 . . . . 0.0 110.51 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.24 -32.19 10.2 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.241 -0.912 . . . . 0.0 109.393 179.448 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.53 ' O ' ' N ' ' A' ' 12' ' ' HIS . 78.3 t90 -56.05 -54.31 46.5 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.493 -0.754 . . . . 0.0 109.499 179.519 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 38.4 t -51.52 -52.12 49.57 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.383 -0.823 . . . . 0.0 109.957 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.492 ' CD ' ' O ' ' A' ' 4' ' ' CYS . 23.8 mtp180 -62.53 -29.47 70.59 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.576 -0.702 . . . . 0.0 111.197 -179.6 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.41 -13.3 18.79 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.963 -1.085 . . . . 0.0 111.784 -178.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.53 ' N ' ' O ' ' A' ' 8' ' ' TRP . 4.5 m-70 -104.93 -45.7 4.48 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.769 -1.207 . . . . 0.0 110.656 -179.699 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.478 ' CB ' ' SG ' ' A' ' 2' ' ' CYS . 15.2 m -93.0 177.7 5.99 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.205 -0.934 . . . . 0.0 110.551 -179.648 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.74 11.06 8.42 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.365 -0.834 . . . . 0.0 110.021 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.6 p -85.52 -18.95 31.98 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.212 -0.93 . . . . 0.0 110.204 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.484 ' SG ' ' HG2' ' A' ' 10' ' ' ARG . 7.4 t -73.32 -27.73 61.68 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.15 -0.968 . . . . 0.0 110.184 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.349 0 O-C-N 119.901 -1.749 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 8.9 m . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.198 0.523 . . . . 0.0 110.193 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.461 ' SG ' ' HB2' ' A' ' 13' ' ' SER . 6.8 p -122.36 169.82 10.56 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.236 -0.915 . . . . 0.0 110.159 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.486 ' OD1' ' N ' ' A' ' 3' ' ' ASN . 16.0 p-10 -84.66 144.68 28.42 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.333 -0.854 . . . . 0.0 110.224 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 36.3 m -68.55 -37.01 79.57 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.47 -0.768 . . . . 0.0 110.155 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -43.62 -30.96 0.67 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.286 -0.884 . . . . 0.0 110.438 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.88 112.32 21.64 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.262 -0.899 . . . . 0.0 110.425 -179.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.5 mmmt -47.4 -40.71 18.37 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.394 -0.816 . . . . 0.0 109.836 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.522 ' CE3' ' N ' ' A' ' 9' ' ' CYS . 36.5 t90 -52.4 -55.63 20.44 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.21 -0.931 . . . . 0.0 109.507 179.616 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.522 ' N ' ' CE3' ' A' ' 8' ' ' TRP . 41.2 t -45.87 -50.54 14.25 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.124 -0.985 . . . . 0.0 109.877 179.399 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.435 ' HG2' ' SG ' ' A' ' 16' ' ' CYS . 67.3 mtp85 -64.75 -37.95 89.35 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.735 -0.603 . . . . 0.0 111.286 -179.368 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.82 -31.35 20.88 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.985 -1.072 . . . . 0.0 111.057 -179.238 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.517 ' CG ' ' NE1' ' A' ' 8' ' ' TRP . 3.6 m-70 -91.47 -64.97 1.05 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.286 -0.884 . . . . 0.0 110.682 -179.347 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.461 ' HB2' ' SG ' ' A' ' 2' ' ' CYS . 0.4 OUTLIER -89.66 164.33 14.76 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.217 -0.927 . . . . 0.0 110.394 -179.575 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -111.54 2.52 17.44 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.346 -0.846 . . . . 0.0 109.877 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.2 m -54.97 -17.39 3.67 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.297 -0.877 . . . . 0.0 110.041 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.435 ' SG ' ' HG2' ' A' ' 10' ' ' ARG . 16.0 t -72.86 62.83 0.61 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.249 -0.907 . . . . 0.0 110.19 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.326 0 O-C-N 119.8 -1.812 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.408 ' O ' ' O ' ' A' ' 2' ' ' CYS . 28.1 p . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 121.226 0.536 . . . . 0.0 110.222 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.423 ' HB2' ' HB2' ' A' ' 9' ' ' CYS . 22.2 p -56.16 -167.02 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.22 -0.925 . . . . 0.0 110.234 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -119.38 151.85 37.81 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.263 -0.898 . . . . 0.0 110.574 -179.671 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.1 m -71.23 -12.99 61.76 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.423 -0.798 . . . . 0.0 110.135 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.8 t -72.13 -18.6 61.88 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.309 -0.869 . . . . 0.0 110.398 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -102.24 121.89 43.13 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.211 -0.931 . . . . 0.0 110.334 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.2 tttp -55.36 -42.03 73.36 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.247 -0.908 . . . . 0.0 110.021 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.526 ' O ' ' N ' ' A' ' 12' ' ' HIS . 28.2 t90 -52.85 -55.74 20.91 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.18 -0.95 . . . . 0.0 109.204 179.482 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.517 ' N ' ' CE3' ' A' ' 8' ' ' TRP . 6.0 t -44.2 -54.34 5.74 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.307 -0.871 . . . . 0.0 109.268 178.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.531 ' HG2' ' CB ' ' A' ' 16' ' ' CYS . 45.9 mtm180 -61.54 -30.53 70.71 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.814 -0.554 . . . . 0.0 110.537 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.34 3.68 43.47 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.308 -0.87 . . . . 0.0 111.027 -179.374 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.526 ' N ' ' O ' ' A' ' 8' ' ' TRP . 6.3 m-70 -134.36 -5.54 2.62 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.977 -1.077 . . . . 0.0 111.052 -179.687 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -131.49 -176.11 3.92 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.922 -1.111 . . . . 0.0 110.418 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.6 ptt180 -124.83 16.25 8.65 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.248 -0.907 . . . . 0.0 110.254 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -80.48 -34.76 35.56 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.25 -0.906 . . . . 0.0 109.899 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.531 ' CB ' ' HG2' ' A' ' 10' ' ' ARG . 1.1 t -88.1 11.7 15.52 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.293 -0.88 . . . . 0.0 110.069 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.405 0 O-C-N 119.896 -1.752 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 121.353 0.597 . . . . 0.0 110.28 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 5.4 p -119.37 179.69 4.12 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.356 -0.84 . . . . 0.0 110.193 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -86.69 118.71 26.27 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.265 -0.897 . . . . 0.0 110.461 -179.68 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.7 m -56.27 -19.66 15.11 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.264 -0.897 . . . . 0.0 110.215 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.37 -44.17 79.91 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.312 -0.867 . . . . 0.0 110.29 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.84 121.76 26.36 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.293 -0.88 . . . . 0.0 110.2 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.4 tttp -49.03 -38.17 22.89 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.394 -0.817 . . . . 0.0 109.924 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.574 ' CD1' ' CD2' ' A' ' 12' ' ' HIS . 44.3 t90 -49.94 -49.03 51.48 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.287 -0.883 . . . . 0.0 109.398 179.59 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.457 ' O ' ' HB2' ' A' ' 13' ' ' SER . 42.8 t -54.28 -50.13 68.0 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.331 -0.856 . . . . 0.0 109.682 179.377 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.479 ' HG2' ' SG ' ' A' ' 16' ' ' CYS . 75.8 mtm180 -68.16 -23.52 64.88 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.554 -0.716 . . . . 0.0 110.801 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -98.39 -23.55 15.55 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.031 -1.043 . . . . 0.0 110.914 -179.277 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.574 ' CD2' ' CD1' ' A' ' 8' ' ' TRP . 14.0 m-70 -101.26 -31.91 10.76 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.119 -0.988 . . . . 0.0 110.544 -179.642 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.457 ' HB2' ' O ' ' A' ' 9' ' ' CYS . 68.7 m -103.96 -173.22 2.26 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.129 -0.982 . . . . 0.0 110.296 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.5 mtp85 -130.67 -2.34 4.24 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.27 -0.894 . . . . 0.0 110.37 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.7 m -55.35 -43.45 75.05 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.2 -0.937 . . . . 0.0 110.43 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.479 ' SG ' ' HG2' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -67.7 123.49 20.65 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.121 -0.987 . . . . 0.0 110.248 -179.858 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.363 0 O-C-N 119.909 -1.744 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_