data_1x7k_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 1x7k _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 ' 4' ' ' CYS . . . . . . . . . . . . . 18.0 t . . . . . 0 N--CA 1.493 1.685 0 CA-C-O 121.432 0.634 . . . . 0.0 110.229 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -127.36 126.75 43.08 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.389 -0.82 . . . . 0.0 110.143 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.469 ' CB ' ' HA ' ' A' ' 16' ' ' ARG . 5.6 ptt85 -116.24 131.36 56.97 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.266 -0.896 . . . . 0.0 110.28 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.443 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 91.1 t -91.59 122.48 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.307 -0.87 . . . . 0.0 110.127 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.555 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 1.2 m -96.31 163.58 13.02 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.18 -0.95 . . . . 0.0 110.233 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.529 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 2.4 t80 -112.6 96.1 5.8 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.176 -0.953 . . . . 0.0 110.401 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.42 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 0.6 OUTLIER 55.65 61.93 2.63 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.238 -0.914 . . . . 0.0 110.285 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 58.32 17.37 31.55 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.851 -1.3 . . . . 0.0 109.851 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.529 ' CG ' ' O ' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -161.0 153.25 20.21 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.139 -1.212 . . . . 0.0 110.504 179.88 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.474 ' HB3' ' HB2' ' A' ' 9' ' ' TYR . 0.3 OUTLIER 67.33 96.22 0.06 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.427 -0.796 . . . . 0.0 109.767 -179.575 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.555 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 0.1 OUTLIER -119.63 154.71 33.58 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.513 -0.742 . . . . 0.0 110.936 -179.644 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.414 ' O ' ' C ' ' A' ' 16' ' ' ARG . 18.0 m-85 -122.84 76.5 1.36 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.663 -0.648 . . . . 0.0 109.601 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.469 ' HA ' ' CB ' ' A' ' 6' ' ' ARG . 2.6 mtt180 -42.96 153.11 0.09 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.434 -0.791 . . . . 0.0 110.298 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.4 tttp . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.23 -0.919 . . . . 0.0 110.131 179.934 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 37.3 m . . . . . 0 N--CA 1.493 1.719 0 CA-C-O 121.3 0.571 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -98.49 147.97 24.21 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.21 -0.932 . . . . 0.0 110.088 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -102.66 135.14 44.85 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.253 -0.904 . . . . 0.0 110.377 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.462 ' CG1' ' CZ ' ' A' ' 15' ' ' TYR . 75.3 t -129.33 138.37 54.54 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.311 -0.868 . . . . 0.0 110.224 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.466 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 0.9 OUTLIER -139.67 152.38 46.68 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.209 -0.932 . . . . 0.0 110.477 -179.846 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.473 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 1.5 m-30 -110.01 97.55 7.03 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.377 -0.827 . . . . 0.0 110.385 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.473 ' HB2' ' O ' ' A' ' 9' ' ' TYR . 16.3 mmt180 59.5 52.29 5.89 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.359 -0.838 . . . . 0.0 110.762 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.473 ' C ' ' O ' ' A' ' 10' ' ' ARG . . . 34.28 47.96 0.59 Allowed Glycine 0 N--CA 1.496 2.657 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 179.295 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.489 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 8.5 mmt180 -121.71 -11.66 8.59 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.022 -1.281 . . . . 0.0 110.42 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.489 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER 169.75 100.54 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.694 0 O-C-N 121.45 -0.781 . . . . 0.0 110.01 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.466 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 14.6 m -84.26 159.87 20.88 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.455 -0.778 . . . . 0.0 110.183 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.578 ' N ' ' CD1' ' A' ' 15' ' ' TYR . 4.4 p90 -149.73 81.24 1.39 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.325 -0.859 . . . . 0.0 109.819 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -41.94 153.4 0.06 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.469 -0.77 . . . . 0.0 110.21 -179.786 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.8 tptt . . . . . 0 N--CA 1.491 1.622 0 O-C-N 121.275 -0.891 . . . . 0.0 110.304 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.48 ' C ' ' CG ' ' A' ' 5' ' ' PHE . 29.8 p . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.379 0.609 . . . . 0.0 110.165 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.48 ' CG ' ' C ' ' A' ' 4' ' ' CYS . 54.0 m-85 -149.21 -143.85 0.14 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.284 -0.885 . . . . 0.0 110.256 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.425 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 6.1 mtt180 -111.18 135.72 51.3 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.198 -0.939 . . . . 0.0 110.4 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.413 HG13 ' OH ' ' A' ' 15' ' ' TYR . 60.8 t -121.87 107.12 19.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.378 -0.826 . . . . 0.0 109.903 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.545 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 20.1 m -88.03 164.12 15.93 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.343 -0.848 . . . . 0.0 110.461 -179.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.523 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -107.76 97.01 6.79 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.155 -0.966 . . . . 0.0 110.125 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.442 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 4.6 tpt180 55.73 62.2 2.51 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.219 -0.926 . . . . 0.0 110.153 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 57.22 22.73 44.79 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.877 -1.289 . . . . 0.0 109.877 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.523 ' CG ' ' O ' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -167.43 154.01 8.16 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.061 -1.258 . . . . 0.0 110.435 179.903 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.497 ' O ' ' N ' ' A' ' 9' ' ' TYR . 1.1 m-85 64.23 95.16 0.05 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.406 -0.809 . . . . 0.0 109.942 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.545 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 9.1 m -119.43 149.77 41.31 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.341 -0.849 . . . . 0.0 110.764 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.538 ' N ' ' CD1' ' A' ' 15' ' ' TYR . 14.7 p90 -143.3 82.11 1.73 Allowed 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 120.164 -0.614 . . . . 0.0 109.747 179.705 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 15' ' ' TYR . 14.3 ptt180 -42.27 129.44 3.8 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.401 -0.812 . . . . 0.0 110.266 -179.609 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 4' ' ' CYS . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.53 0 O-C-N 121.306 -0.872 . . . . 0.0 110.189 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 98.9 m . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 121.287 0.565 . . . . 0.0 110.24 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -120.18 112.81 19.55 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.227 -0.921 . . . . 0.0 110.257 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.448 ' HD3' ' HG2' ' A' ' 16' ' ' ARG . 1.2 mmt180 -75.58 125.55 29.25 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.184 -0.947 . . . . 0.0 110.065 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.434 ' HB ' ' HB2' ' A' ' 15' ' ' TYR . 48.5 t -124.75 114.81 42.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.266 -0.896 . . . . 0.0 110.372 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 62.4 m -122.79 117.65 26.15 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.368 -0.833 . . . . 0.0 110.001 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.478 ' O ' ' HB2' ' A' ' 12' ' ' ARG . 3.7 t80 -94.39 104.49 16.47 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.186 -0.947 . . . . 0.0 110.294 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.48 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 12.3 mmt180 39.63 52.45 2.41 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.428 -0.795 . . . . 0.0 110.579 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 10' ' ' ARG . . . 43.12 26.37 0.51 Allowed Glycine 0 N--CA 1.49 2.269 0 N-CA-C 110.255 -1.138 . . . . 0.0 110.255 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.567 ' O ' ' CD2' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -92.94 -12.22 31.4 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.888 -1.36 . . . . 0.0 109.93 179.57 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.567 ' CD2' ' O ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER 167.06 100.89 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.492 -0.755 . . . . 0.0 110.045 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.466 ' O ' ' CD1' ' A' ' 15' ' ' TYR . 13.6 m -79.63 158.0 27.16 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.34 -0.85 . . . . 0.0 110.21 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.466 ' CD1' ' O ' ' A' ' 14' ' ' CYS . 20.8 m-85 -128.67 81.89 2.05 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.238 -0.914 . . . . 0.0 110.0 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.448 ' HG2' ' HD3' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -67.97 112.05 4.75 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.327 -0.858 . . . . 0.0 110.277 -179.872 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.644 0 O-C-N 121.248 -0.908 . . . . 0.0 110.215 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.454 ' SG ' ' O ' ' A' ' 17' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.673 0 CA-C-O 121.44 0.638 . . . . 0.0 110.139 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.455 ' O ' HG23 ' A' ' 7' ' ' VAL . 94.5 m-85 -150.15 78.26 1.33 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.271 -0.893 . . . . 0.0 110.252 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.8 113.39 1.3 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.214 -0.929 . . . . 0.0 110.114 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 5' ' ' PHE . 21.5 t -116.82 127.29 74.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.272 -0.893 . . . . 0.0 110.267 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 85.0 m -125.98 125.56 42.9 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.304 -0.872 . . . . 0.0 110.277 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.479 ' O ' ' HB3' ' A' ' 12' ' ' ARG . 54.4 t80 -94.03 86.98 5.17 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.218 -0.926 . . . . 0.0 110.184 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.489 ' CZ ' ' HA ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER 62.22 54.67 2.58 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.416 -0.803 . . . . 0.0 110.449 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 10' ' ' ARG . . . 37.53 33.05 0.11 Allowed Glycine 0 N--CA 1.493 2.476 0 N-CA-C 110.621 -0.992 . . . . 0.0 110.621 179.443 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.541 ' O ' ' CG ' ' A' ' 13' ' ' PHE . 1.8 tpt85 -109.7 -7.01 15.14 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.035 -1.274 . . . . 0.0 109.873 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.541 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER 169.82 100.79 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.379 -0.825 . . . . 0.0 110.261 179.889 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 53.1 m -82.1 153.66 25.97 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.381 -0.824 . . . . 0.0 110.078 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.412 ' N ' ' O ' ' A' ' 7' ' ' VAL . 21.5 m-85 -126.34 77.76 1.72 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.226 -0.921 . . . . 0.0 109.951 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 28.8 mtt180 -73.97 141.94 45.86 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.4 -0.812 . . . . 0.0 110.018 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.454 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.665 0 O-C-N 121.152 -0.968 . . . . 0.0 110.315 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 12.8 m . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 121.261 0.553 . . . . 0.0 110.136 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -125.06 91.13 3.37 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.295 -0.878 . . . . 0.0 110.161 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.464 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -70.73 134.67 47.65 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.307 -0.871 . . . . 0.0 110.226 -179.922 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.508 ' CG1' ' OH ' ' A' ' 15' ' ' TYR . 78.8 t -134.16 116.26 22.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.362 -0.837 . . . . 0.0 109.886 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.543 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 17.5 m -91.48 166.4 12.88 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.272 -0.893 . . . . 0.0 110.505 -179.619 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.503 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.8 OUTLIER -106.65 96.73 6.65 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.213 -0.93 . . . . 0.0 109.918 179.656 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.468 ' HB2' ' O ' ' A' ' 9' ' ' TYR . 0.0 OUTLIER 56.27 59.55 3.62 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.189 -0.945 . . . . 0.0 109.785 -179.545 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.459 ' O ' ' CG ' ' A' ' 12' ' ' ARG . . . 58.56 18.46 37.68 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.631 -1.388 . . . . 0.0 109.631 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.503 ' O ' ' N ' ' A' ' 9' ' ' TYR . 1.1 mtm105 -160.33 153.94 22.44 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.194 -1.18 . . . . 0.0 110.312 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.481 ' O ' ' N ' ' A' ' 9' ' ' TYR . 1.2 m-85 63.37 95.14 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.295 -0.878 . . . . 0.0 109.859 -179.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.543 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 11.2 m -119.06 153.12 35.25 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.42 -0.8 . . . . 0.0 110.672 -179.529 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.572 ' N ' ' CD1' ' A' ' 15' ' ' TYR . 7.7 p90 -142.31 78.54 1.63 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.549 -0.719 . . . . 0.0 109.944 179.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.464 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . 0.2 OUTLIER -52.41 174.77 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.46 -0.775 . . . . 0.0 110.309 -179.815 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.6 tptt . . . . . 0 N--CA 1.491 1.609 0 O-C-N 121.325 -0.859 . . . . 0.0 110.184 179.882 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.751 0 CA-C-O 121.475 0.655 . . . . 0.0 110.314 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.534 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 33.2 m-85 -109.97 83.17 1.71 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.31 -0.869 . . . . 0.0 110.113 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 40.4 mtm180 -67.87 111.44 4.34 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.288 -0.882 . . . . 0.0 110.36 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.458 ' O ' ' CD2' ' A' ' 15' ' ' TYR . 60.5 t -125.4 117.31 49.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.337 -0.852 . . . . 0.0 110.042 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.478 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 77.3 m -122.0 115.81 23.19 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.271 -0.893 . . . . 0.0 110.433 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.463 ' O ' ' HB2' ' A' ' 12' ' ' ARG . 24.2 t80 -72.98 96.34 2.12 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.28 -0.887 . . . . 0.0 110.027 179.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.479 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 45.5 mmt-85 42.25 53.09 4.5 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.304 -0.873 . . . . 0.0 110.252 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 48.73 29.79 8.24 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 110.055 -1.218 . . . . 0.0 110.055 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.544 ' O ' ' CG ' ' A' ' 13' ' ' PHE . 17.5 mmt180 -99.83 -11.04 21.11 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.001 -1.293 . . . . 0.0 110.103 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.573 ' O ' ' CZ ' ' A' ' 15' ' ' TYR . 0.1 OUTLIER 166.03 101.54 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.506 -0.746 . . . . 0.0 109.913 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.478 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 36.5 m -73.98 155.07 38.99 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.339 -0.85 . . . . 0.0 110.31 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.573 ' CZ ' ' O ' ' A' ' 13' ' ' PHE . 22.3 m-85 -127.22 80.31 1.94 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.324 -0.86 . . . . 0.0 109.933 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 27.3 mtt180 -69.99 121.78 18.07 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.337 -0.852 . . . . 0.0 110.341 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt . . . . . 0 N--CA 1.49 1.535 0 O-C-N 121.24 -0.912 . . . . 0.0 110.154 179.825 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 60.3 m . . . . . 0 N--CA 1.495 1.824 0 CA-C-O 121.397 0.617 . . . . 0.0 110.435 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -109.4 88.38 2.72 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.24 -0.912 . . . . 0.0 110.137 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.3 ttp180 -53.32 130.88 36.46 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.237 -0.915 . . . . 0.0 110.214 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 44.0 t -131.43 127.68 60.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.274 -0.891 . . . . 0.0 110.173 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 36.0 m -114.01 129.06 56.63 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.314 -0.866 . . . . 0.0 110.315 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.469 ' O ' ' HB2' ' A' ' 12' ' ' ARG . 3.0 t80 -82.38 89.98 6.65 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.245 -0.91 . . . . 0.0 110.065 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.464 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 9.8 mmt180 58.03 54.59 5.85 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.364 -0.835 . . . . 0.0 110.325 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 10' ' ' ARG . . . 39.14 47.74 2.64 Favored Glycine 0 N--CA 1.493 2.447 0 N-CA-C 110.364 -1.094 . . . . 0.0 110.364 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.517 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 18.0 mtt180 -119.58 -16.43 8.86 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.051 -1.264 . . . . 0.0 110.378 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.517 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER 166.38 101.92 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.48 -0.763 . . . . 0.0 110.163 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 60.1 m -73.43 143.87 46.54 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.374 -0.829 . . . . 0.0 110.157 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.479 ' CD1' ' N ' ' A' ' 15' ' ' TYR . 12.5 p90 -133.68 79.18 1.81 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.234 -0.916 . . . . 0.0 109.821 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -45.09 166.67 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.418 -0.801 . . . . 0.0 110.288 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.635 0 O-C-N 121.188 -0.945 . . . . 0.0 110.187 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 13.0 t . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.424 0.63 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -113.18 87.14 2.53 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.443 -0.786 . . . . 0.0 110.136 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.46 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 0.1 OUTLIER -65.19 136.66 56.91 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.356 -0.84 . . . . 0.0 110.36 -179.855 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 98.8 t -134.1 111.49 15.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.348 -0.845 . . . . 0.0 109.932 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.538 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 23.9 m -87.4 167.8 13.7 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.259 -0.901 . . . . 0.0 110.476 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.503 ' CB ' ' HB2' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -110.24 96.36 6.17 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.146 -0.971 . . . . 0.0 110.146 179.781 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.464 ' HG2' ' O ' ' A' ' 10' ' ' ARG . 15.3 ttm-85 57.44 59.4 3.33 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.177 -0.952 . . . . 0.0 109.946 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.516 ' O ' ' CG ' ' A' ' 12' ' ' ARG . . . 56.31 23.28 40.57 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.678 -1.369 . . . . 0.0 109.678 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.516 ' CG ' ' O ' ' A' ' 11' ' ' GLY . 16.7 mtt85 -164.91 144.95 7.2 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.115 -1.227 . . . . 0.0 110.655 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.503 ' HB2' ' CB ' ' A' ' 9' ' ' TYR . 4.8 m-85 69.57 95.34 0.07 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.337 -0.852 . . . . 0.0 110.128 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.538 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 8.0 m -118.76 153.85 33.76 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.414 -0.803 . . . . 0.0 110.525 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.556 ' O ' ' CG ' ' A' ' 15' ' ' TYR . 7.2 p90 -145.07 82.29 1.66 Allowed 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 119.939 -0.704 . . . . 0.0 110.047 179.766 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.46 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . 2.1 ptt180 -43.37 152.28 0.14 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.314 -0.866 . . . . 0.0 110.224 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.614 0 O-C-N 121.224 -0.923 . . . . 0.0 110.178 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 50.9 m . . . . . 0 N--CA 1.492 1.659 0 CA-C-O 121.243 0.544 . . . . 0.0 110.326 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.488 ' O ' ' NH2' ' A' ' 16' ' ' ARG . 23.9 m-85 -65.99 -174.52 0.25 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.293 -0.879 . . . . 0.0 110.088 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.465 ' O ' ' HG3' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -161.72 117.08 2.02 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.277 -0.889 . . . . 0.0 110.315 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.443 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 5.5 t -134.66 120.98 33.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.246 -0.908 . . . . 0.0 110.09 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.55 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -119.67 160.85 21.73 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.268 -0.895 . . . . 0.0 110.481 -179.882 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.522 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.8 OUTLIER -100.38 107.21 18.91 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.367 -0.833 . . . . 0.0 110.197 -179.919 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.404 ' HA ' ' HD3' ' A' ' 10' ' ' ARG . 58.5 mmt-85 50.35 60.42 3.85 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.24 -0.913 . . . . 0.0 109.701 -179.755 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 54.28 24.98 31.63 Favored Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.256 -1.538 . . . . 0.0 109.256 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.522 ' O ' ' N ' ' A' ' 9' ' ' TYR . 0.5 OUTLIER -157.66 146.31 19.37 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.273 -1.134 . . . . 0.0 110.4 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.519 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 3.3 m-85 69.74 94.71 0.07 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.477 -0.765 . . . . 0.0 110.151 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.55 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 0.7 OUTLIER -104.5 152.64 22.13 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.38 -0.825 . . . . 0.0 110.41 -179.82 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -116.42 75.67 0.97 Allowed 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.433 -0.792 . . . . 0.0 109.515 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.492 ' NH1' ' HB3' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -67.32 149.26 50.57 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.515 -0.74 . . . . 0.0 110.393 -179.447 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.2 tttm . . . . . 0 N--CA 1.492 1.657 0 O-C-N 121.249 -0.907 . . . . 0.0 110.336 179.944 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 22.4 m . . . . . 0 N--CA 1.494 1.774 0 CA-C-O 121.324 0.583 . . . . 0.0 110.458 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -76.06 173.01 11.82 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.311 -0.868 . . . . 0.0 110.108 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.14 127.49 4.52 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.238 -0.914 . . . . 0.0 110.253 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 45.7 t -132.6 130.67 59.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.294 -0.879 . . . . 0.0 110.272 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.465 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 5.9 m -131.28 118.91 21.03 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.344 -0.847 . . . . 0.0 110.237 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.464 ' O ' ' HB2' ' A' ' 12' ' ' ARG . 15.7 t80 -83.21 92.41 7.46 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.358 -0.839 . . . . 0.0 110.619 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.525 ' HB3' ' CD ' ' A' ' 12' ' ' ARG . 42.4 tpt85 39.29 59.81 1.65 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.431 -0.793 . . . . 0.0 111.063 179.543 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 10' ' ' ARG . . . 41.59 37.43 1.88 Allowed Glycine 0 N--CA 1.492 2.394 0 N-CA-C 110.489 -1.045 . . . . 0.0 110.489 179.402 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.525 ' CD ' ' HB3' ' A' ' 10' ' ' ARG . 1.2 mtp180 -126.73 1.41 6.75 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.149 -1.206 . . . . 0.0 109.892 179.4 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.471 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER 169.72 100.09 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.509 -0.744 . . . . 0.0 109.883 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.465 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 48.1 m -100.43 154.15 18.76 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.402 -0.811 . . . . 0.0 110.258 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -129.32 81.08 2.0 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.316 -0.865 . . . . 0.0 110.152 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.15 154.51 9.96 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.287 -0.883 . . . . 0.0 110.326 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.606 0 O-C-N 121.304 -0.873 . . . . 0.0 110.064 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.494 1.734 0 CA-C-O 121.403 0.62 . . . . 0.0 110.194 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -111.57 138.76 47.69 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.364 -0.835 . . . . 0.0 110.173 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.456 ' CB ' ' HA ' ' A' ' 16' ' ' ARG . 4.6 ptt-85 -136.99 132.23 34.03 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.243 -0.911 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.2 t -86.58 114.33 25.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.34 -0.85 . . . . 0.0 110.316 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.571 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 20.3 m -95.31 156.65 16.23 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.266 -0.896 . . . . 0.0 110.071 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.522 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -106.84 95.86 6.03 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.109 -0.994 . . . . 0.0 110.156 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.3 tpp85 52.24 63.78 2.11 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.348 -0.845 . . . . 0.0 110.108 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.434 ' O ' ' CG ' ' A' ' 12' ' ' ARG . . . 55.53 21.26 27.22 Favored Glycine 0 N--CA 1.489 2.232 0 N-CA-C 109.404 -1.479 . . . . 0.0 109.404 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.522 ' O ' ' CB ' ' A' ' 9' ' ' TYR . 76.6 mtt-85 -156.96 148.33 22.2 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.291 -1.123 . . . . 0.0 110.329 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.5 ' CB ' ' HB2' ' A' ' 9' ' ' TYR . 0.2 OUTLIER 64.98 95.28 0.05 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.39 -0.819 . . . . 0.0 110.05 -179.883 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.571 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 84.6 m -118.63 148.98 42.15 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.523 -0.736 . . . . 0.0 110.605 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -127.55 82.15 2.07 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.47 -0.769 . . . . 0.0 110.036 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.456 ' HA ' ' CB ' ' A' ' 6' ' ' ARG . 0.6 OUTLIER -59.13 161.86 4.9 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.178 -0.951 . . . . 0.0 110.102 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.593 0 O-C-N 121.251 -0.906 . . . . 0.0 110.22 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.1 m . . . . . 0 N--CA 1.494 1.76 0 CA-C-O 121.481 0.658 . . . . 0.0 110.445 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -124.73 123.31 39.72 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.303 -0.873 . . . . 0.0 110.279 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.05 136.58 32.94 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.28 -0.888 . . . . 0.0 110.106 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 24.2 t -136.86 135.93 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.276 -0.89 . . . . 0.0 110.368 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.482 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 21.8 m -124.51 132.43 53.47 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.376 -0.827 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.48 ' O ' ' HB2' ' A' ' 12' ' ' ARG . 1.6 t80 -82.4 85.73 6.85 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.258 -0.901 . . . . 0.0 110.099 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 11' ' ' GLY . 0.1 OUTLIER 61.5 55.87 2.71 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.418 -0.801 . . . . 0.0 110.322 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 10' ' ' ARG . . . 38.88 47.86 2.46 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 110.306 -1.117 . . . . 0.0 110.306 179.568 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.5 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 9.0 mmt180 -119.28 -18.03 8.71 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.082 -1.246 . . . . 0.0 110.164 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.5 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER 167.19 101.93 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.519 -0.738 . . . . 0.0 110.18 179.858 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.482 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 63.2 m -71.99 148.92 45.47 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.363 -0.836 . . . . 0.0 110.193 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.497 ' N ' ' CD1' ' A' ' 15' ' ' TYR . 5.9 p90 -138.98 81.94 1.87 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.406 -0.809 . . . . 0.0 109.788 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 15' ' ' TYR . 7.9 mtm105 -41.56 161.47 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.363 -0.835 . . . . 0.0 110.265 -179.735 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.591 0 O-C-N 121.222 -0.924 . . . . 0.0 110.306 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.45 ' SG ' ' O ' ' A' ' 17' ' ' LYS . 1.9 m . . . . . 0 N--CA 1.495 1.778 0 CA-C-O 121.471 0.653 . . . . 0.0 110.47 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -123.56 -176.39 3.44 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.177 -0.952 . . . . 0.0 110.243 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.494 ' O ' ' CG ' ' A' ' 6' ' ' ARG . 6.8 ptt85 -167.52 114.05 0.74 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.195 -0.94 . . . . 0.0 110.308 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.1 t -102.26 137.02 31.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.36 -0.837 . . . . 0.0 110.205 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 12.7 m -117.37 123.66 47.02 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.264 -0.897 . . . . 0.0 110.365 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.478 ' O ' ' HB3' ' A' ' 12' ' ' ARG . 1.7 t80 -95.43 100.32 12.1 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.349 -0.845 . . . . 0.0 110.166 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' A' ' 11' ' ' GLY . 35.1 ttt180 39.79 55.01 2.53 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.304 -0.872 . . . . 0.0 110.748 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 10' ' ' ARG . . . 37.95 32.78 0.13 Allowed Glycine 0 N--CA 1.493 2.463 0 N-CA-C 110.488 -1.045 . . . . 0.0 110.488 179.534 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.516 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 0.5 OUTLIER -108.38 -8.65 15.57 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.053 -1.263 . . . . 0.0 109.728 179.711 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.516 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER 166.89 101.55 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.578 -0.702 . . . . 0.0 109.802 179.902 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 86.0 m -87.5 162.79 17.04 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.334 -0.854 . . . . 0.0 110.31 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -129.19 82.77 2.1 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.343 -0.848 . . . . 0.0 110.03 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.75 132.03 39.05 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.315 -0.866 . . . . 0.0 110.191 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.45 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 9.8 mmtt . . . . . 0 N--CA 1.49 1.558 0 O-C-N 121.179 -0.951 . . . . 0.0 110.082 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.296 0.569 . . . . 0.0 110.092 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.44 ' O ' HG22 ' A' ' 7' ' ' VAL . 19.7 m-85 -114.68 84.66 2.1 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.33 -0.856 . . . . 0.0 110.114 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.459 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 24.8 mtt180 -58.68 128.83 39.16 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.299 -0.876 . . . . 0.0 110.413 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.44 HG22 ' O ' ' A' ' 5' ' ' PHE . 5.6 t -133.26 131.09 58.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.335 -0.853 . . . . 0.0 109.862 179.677 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.512 ' SG ' ' N ' ' A' ' 14' ' ' CYS . 1.4 t -130.03 143.93 51.06 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.249 -0.907 . . . . 0.0 110.443 -179.725 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.471 ' O ' ' HB2' ' A' ' 12' ' ' ARG . 8.0 t80 -96.34 92.48 6.35 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.4 -0.813 . . . . 0.0 110.292 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.471 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.1 OUTLIER 60.37 52.27 4.89 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.27 -0.894 . . . . 0.0 110.496 179.881 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 10' ' ' ARG . . . 38.11 38.57 0.58 Allowed Glycine 0 N--CA 1.494 2.52 0 N-CA-C 110.427 -1.069 . . . . 0.0 110.427 179.492 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.582 ' O ' ' CG ' ' A' ' 13' ' ' PHE . 0.4 OUTLIER -111.74 -11.02 14.02 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.127 -1.219 . . . . 0.0 110.283 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.582 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER 169.86 100.57 0.01 OUTLIER 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.544 -0.723 . . . . 0.0 110.054 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.512 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 11.0 m -85.08 150.3 24.96 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.378 -0.827 . . . . 0.0 110.212 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.623 ' N ' ' CD1' ' A' ' 15' ' ' TYR . 2.6 p90 -141.04 78.31 1.64 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.266 -0.897 . . . . 0.0 109.962 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.459 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . 24.5 mtm180 -45.49 167.12 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.481 -0.762 . . . . 0.0 110.212 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.635 0 O-C-N 121.27 -0.894 . . . . 0.0 110.186 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 66.0 m . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.316 0.579 . . . . 0.0 110.329 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -89.47 175.53 7.27 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.234 -0.916 . . . . 0.0 110.041 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.58 129.08 1.85 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.149 -0.969 . . . . 0.0 110.411 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.574 ' O ' ' CD2' ' A' ' 15' ' ' TYR . 21.9 t -113.74 127.14 71.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.31 -0.869 . . . . 0.0 110.191 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 5.2 t -135.59 145.89 47.38 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.304 -0.872 . . . . 0.0 110.29 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.465 ' O ' ' HB2' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -110.75 94.8 5.18 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.413 -0.804 . . . . 0.0 110.562 -179.924 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.494 ' O ' ' N ' ' A' ' 12' ' ' ARG . 7.9 tpp180 60.54 53.33 4.17 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.294 -0.879 . . . . 0.0 110.677 179.636 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 10' ' ' ARG . . . 37.67 28.75 0.04 OUTLIER Glycine 0 N--CA 1.494 2.533 0 N-CA-C 110.583 -1.007 . . . . 0.0 110.583 179.335 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.573 ' O ' ' CG ' ' A' ' 13' ' ' PHE . 0.2 OUTLIER -96.45 -12.82 23.69 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.053 -1.263 . . . . 0.0 110.073 179.693 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.573 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER 168.25 98.16 0.0 OUTLIER 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.692 -0.63 . . . . 0.0 109.781 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 23.6 m -83.34 163.99 20.29 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.381 -0.824 . . . . 0.0 110.321 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.574 ' CD2' ' O ' ' A' ' 7' ' ' VAL . 19.5 m-85 -128.66 81.85 2.05 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.235 -0.915 . . . . 0.0 110.035 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.64 141.26 44.19 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.282 -0.886 . . . . 0.0 110.256 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.6 tptp . . . . . 0 N--CA 1.492 1.631 0 O-C-N 121.265 -0.897 . . . . 0.0 110.161 179.965 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.658 0 CA-C-O 121.25 0.548 . . . . 0.0 110.171 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.401 ' C ' ' CD1' ' A' ' 3' ' ' TRP . 11.3 mtt85 -94.48 150.06 20.63 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.209 -0.932 . . . . 0.0 110.228 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.561 ' O ' ' CE3' ' A' ' 3' ' ' TRP . 47.5 p-90 -178.95 109.95 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.281 -0.887 . . . . 0.0 110.035 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.464 ' HB3' ' O ' ' A' ' 3' ' ' TRP . 18.0 t 61.08 142.71 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.234 -0.916 . . . . 0.0 110.229 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -127.36 126.75 43.08 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.389 -0.82 . . . . 0.0 110.143 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.469 ' CB ' ' HA ' ' A' ' 16' ' ' ARG . 5.6 ptt85 -116.24 131.36 56.97 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.266 -0.896 . . . . 0.0 110.28 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.443 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 91.1 t -91.59 122.48 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.307 -0.87 . . . . 0.0 110.127 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.555 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 1.2 m -96.31 163.58 13.02 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.18 -0.95 . . . . 0.0 110.233 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.529 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 2.4 t80 -112.6 96.1 5.8 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.176 -0.953 . . . . 0.0 110.401 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.42 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 0.6 OUTLIER 55.65 61.93 2.63 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.238 -0.914 . . . . 0.0 110.285 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 58.32 17.37 31.55 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.851 -1.3 . . . . 0.0 109.851 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.529 ' CG ' ' O ' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -161.0 153.25 20.21 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.139 -1.212 . . . . 0.0 110.504 179.88 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.474 ' HB3' ' HB2' ' A' ' 9' ' ' TYR . 0.3 OUTLIER 67.33 96.22 0.06 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.427 -0.796 . . . . 0.0 109.767 -179.575 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.555 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 0.1 OUTLIER -119.63 154.71 33.58 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.513 -0.742 . . . . 0.0 110.936 -179.644 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.414 ' O ' ' C ' ' A' ' 16' ' ' ARG . 18.0 m-85 -122.84 76.5 1.36 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.663 -0.648 . . . . 0.0 109.601 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.469 ' HA ' ' CB ' ' A' ' 6' ' ' ARG . 2.6 mtt180 -42.96 153.11 0.09 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.434 -0.791 . . . . 0.0 110.298 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.4 tttp -167.57 106.47 0.55 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.23 -0.919 . . . . 0.0 110.131 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 41.8 m -105.66 138.13 42.36 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.299 -0.876 . . . . 0.0 110.232 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.592 0 O-C-N 121.29 -0.881 . . . . 0.0 110.174 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 121.244 0.545 . . . . 0.0 110.223 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.46 ' O ' ' HB2' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -94.21 104.98 16.97 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.245 -0.91 . . . . 0.0 110.098 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.47 ' O ' ' HB2' ' A' ' 4' ' ' CYS . 23.7 t-105 176.07 109.24 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.252 -0.905 . . . . 0.0 110.141 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.47 ' HB2' ' O ' ' A' ' 3' ' ' TRP . 37.3 m 59.71 126.75 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.328 -0.857 . . . . 0.0 110.412 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -98.49 147.97 24.21 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.21 -0.932 . . . . 0.0 110.088 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -102.66 135.14 44.85 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.253 -0.904 . . . . 0.0 110.377 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.462 ' CG1' ' CZ ' ' A' ' 15' ' ' TYR . 75.3 t -129.33 138.37 54.54 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.311 -0.868 . . . . 0.0 110.224 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.466 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 0.9 OUTLIER -139.67 152.38 46.68 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.209 -0.932 . . . . 0.0 110.477 -179.846 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.473 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 1.5 m-30 -110.01 97.55 7.03 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.377 -0.827 . . . . 0.0 110.385 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.473 ' HB2' ' O ' ' A' ' 9' ' ' TYR . 16.3 mmt180 59.5 52.29 5.89 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.359 -0.838 . . . . 0.0 110.762 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.473 ' C ' ' O ' ' A' ' 10' ' ' ARG . . . 34.28 47.96 0.59 Allowed Glycine 0 N--CA 1.496 2.657 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 179.295 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.489 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 8.5 mmt180 -121.71 -11.66 8.59 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.022 -1.281 . . . . 0.0 110.42 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.489 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER 169.75 100.54 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.694 0 O-C-N 121.45 -0.781 . . . . 0.0 110.01 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.466 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 14.6 m -84.26 159.87 20.88 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.455 -0.778 . . . . 0.0 110.183 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.578 ' N ' ' CD1' ' A' ' 15' ' ' TYR . 4.4 p90 -149.73 81.24 1.39 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.325 -0.859 . . . . 0.0 109.819 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -41.94 153.4 0.06 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.469 -0.77 . . . . 0.0 110.21 -179.786 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.8 tptt -146.73 108.16 4.27 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.275 -0.891 . . . . 0.0 110.304 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -110.93 124.46 52.15 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.415 -0.803 . . . . 0.0 110.272 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 . . . . . 0 N--CA 1.491 1.622 0 O-C-N 121.173 -0.955 . . . . 0.0 110.258 179.775 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.5 ttm180 . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 121.243 0.544 . . . . 0.0 110.184 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.87 122.9 35.72 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.193 -0.942 . . . . 0.0 110.143 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.404 ' CD1' ' O ' ' A' ' 3' ' ' TRP . 54.3 t-105 -151.5 83.7 1.3 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.326 -0.859 . . . . 0.0 110.26 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.48 ' C ' ' CG ' ' A' ' 5' ' ' PHE . 29.8 p -159.88 137.9 10.12 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.326 -0.859 . . . . 0.0 110.165 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.48 ' CG ' ' C ' ' A' ' 4' ' ' CYS . 54.0 m-85 -149.21 -143.85 0.14 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.284 -0.885 . . . . 0.0 110.256 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.425 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 6.1 mtt180 -111.18 135.72 51.3 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.198 -0.939 . . . . 0.0 110.4 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.413 HG13 ' OH ' ' A' ' 15' ' ' TYR . 60.8 t -121.87 107.12 19.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.378 -0.826 . . . . 0.0 109.903 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.545 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 20.1 m -88.03 164.12 15.93 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.343 -0.848 . . . . 0.0 110.461 -179.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.523 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -107.76 97.01 6.79 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.155 -0.966 . . . . 0.0 110.125 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.442 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 4.6 tpt180 55.73 62.2 2.51 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.219 -0.926 . . . . 0.0 110.153 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 57.22 22.73 44.79 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.877 -1.289 . . . . 0.0 109.877 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.523 ' CG ' ' O ' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -167.43 154.01 8.16 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.061 -1.258 . . . . 0.0 110.435 179.903 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.497 ' O ' ' N ' ' A' ' 9' ' ' TYR . 1.1 m-85 64.23 95.16 0.05 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.406 -0.809 . . . . 0.0 109.942 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.545 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 9.1 m -119.43 149.77 41.31 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.341 -0.849 . . . . 0.0 110.764 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.538 ' N ' ' CD1' ' A' ' 15' ' ' TYR . 14.7 p90 -143.3 82.11 1.73 Allowed 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 120.164 -0.614 . . . . 0.0 109.747 179.705 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 15' ' ' TYR . 14.3 ptt180 -42.27 129.44 3.8 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.401 -0.812 . . . . 0.0 110.266 -179.609 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 4' ' ' CYS . 0.3 OUTLIER -120.05 98.04 5.89 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.306 -0.872 . . . . 0.0 110.189 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.6 t -148.26 145.38 28.18 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.465 -0.772 . . . . 0.0 110.185 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 64.1 mtp180 . . . . . 0 N--CA 1.491 1.597 0 O-C-N 121.274 -0.891 . . . . 0.0 110.174 179.943 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.449 ' O ' ' HG2' ' A' ' 2' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.258 0.552 . . . . 0.0 110.241 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.449 ' HG2' ' O ' ' A' ' 1' ' ' ARG . 1.5 mmt180 -151.53 94.61 2.03 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.22 -0.925 . . . . 0.0 110.175 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.442 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 1.7 m95 52.94 84.35 0.06 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.306 -0.871 . . . . 0.0 110.164 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.442 ' SG ' ' O ' ' A' ' 3' ' ' TRP . 98.9 m -150.45 118.46 6.28 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.233 -0.917 . . . . 0.0 110.24 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -120.18 112.81 19.55 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.227 -0.921 . . . . 0.0 110.257 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.448 ' HD3' ' HG2' ' A' ' 16' ' ' ARG . 1.2 mmt180 -75.58 125.55 29.25 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.184 -0.947 . . . . 0.0 110.065 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.434 ' HB ' ' HB2' ' A' ' 15' ' ' TYR . 48.5 t -124.75 114.81 42.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.266 -0.896 . . . . 0.0 110.372 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 62.4 m -122.79 117.65 26.15 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.368 -0.833 . . . . 0.0 110.001 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.478 ' O ' ' HB2' ' A' ' 12' ' ' ARG . 3.7 t80 -94.39 104.49 16.47 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.186 -0.947 . . . . 0.0 110.294 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.48 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 12.3 mmt180 39.63 52.45 2.41 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.428 -0.795 . . . . 0.0 110.579 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 10' ' ' ARG . . . 43.12 26.37 0.51 Allowed Glycine 0 N--CA 1.49 2.269 0 N-CA-C 110.255 -1.138 . . . . 0.0 110.255 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.567 ' O ' ' CD2' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -92.94 -12.22 31.4 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.888 -1.36 . . . . 0.0 109.93 179.57 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.567 ' CD2' ' O ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER 167.06 100.89 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.492 -0.755 . . . . 0.0 110.045 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.466 ' O ' ' CD1' ' A' ' 15' ' ' TYR . 13.6 m -79.63 158.0 27.16 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.34 -0.85 . . . . 0.0 110.21 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.466 ' CD1' ' O ' ' A' ' 14' ' ' CYS . 20.8 m-85 -128.67 81.89 2.05 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.238 -0.914 . . . . 0.0 110.0 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.448 ' HG2' ' HD3' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -67.97 112.05 4.75 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.327 -0.858 . . . . 0.0 110.277 -179.872 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.448 ' O ' ' HB2' ' A' ' 18' ' ' CYS . 0.2 OUTLIER -105.15 98.23 7.97 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.248 -0.908 . . . . 0.0 110.215 179.84 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.448 ' HB2' ' O ' ' A' ' 17' ' ' LYS . 0.5 OUTLIER 176.42 151.93 0.16 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.452 -0.78 . . . . 0.0 110.247 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.62 0 O-C-N 121.362 -0.836 . . . . 0.0 110.137 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.434 ' O ' ' CB ' ' A' ' 2' ' ' ARG . 17.5 ttm180 . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.22 0.534 . . . . 0.0 110.206 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.434 ' CB ' ' O ' ' A' ' 1' ' ' ARG . 0.0 OUTLIER 65.01 148.78 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.225 -0.922 . . . . 0.0 110.275 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 1.2 m95 -165.75 82.65 0.32 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.291 -0.881 . . . . 0.0 110.258 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.454 ' SG ' ' O ' ' A' ' 17' ' ' LYS . 0.1 OUTLIER -178.15 137.17 0.17 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.294 -0.879 . . . . 0.0 110.139 179.906 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.455 ' O ' HG23 ' A' ' 7' ' ' VAL . 94.5 m-85 -150.15 78.26 1.33 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.271 -0.893 . . . . 0.0 110.252 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.8 113.39 1.3 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.214 -0.929 . . . . 0.0 110.114 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 5' ' ' PHE . 21.5 t -116.82 127.29 74.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.272 -0.893 . . . . 0.0 110.267 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 85.0 m -125.98 125.56 42.9 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.304 -0.872 . . . . 0.0 110.277 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.479 ' O ' ' HB3' ' A' ' 12' ' ' ARG . 54.4 t80 -94.03 86.98 5.17 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.218 -0.926 . . . . 0.0 110.184 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.489 ' CZ ' ' HA ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER 62.22 54.67 2.58 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.416 -0.803 . . . . 0.0 110.449 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 10' ' ' ARG . . . 37.53 33.05 0.11 Allowed Glycine 0 N--CA 1.493 2.476 0 N-CA-C 110.621 -0.992 . . . . 0.0 110.621 179.443 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.541 ' O ' ' CG ' ' A' ' 13' ' ' PHE . 1.8 tpt85 -109.7 -7.01 15.14 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.035 -1.274 . . . . 0.0 109.873 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.541 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER 169.82 100.79 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.379 -0.825 . . . . 0.0 110.261 179.889 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 53.1 m -82.1 153.66 25.97 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.381 -0.824 . . . . 0.0 110.078 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.412 ' N ' ' O ' ' A' ' 7' ' ' VAL . 21.5 m-85 -126.34 77.76 1.72 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.226 -0.921 . . . . 0.0 109.951 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 28.8 mtt180 -73.97 141.94 45.86 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.4 -0.812 . . . . 0.0 110.018 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.454 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 0.0 OUTLIER -133.48 104.81 6.58 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.152 -0.968 . . . . 0.0 110.315 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -160.58 133.83 6.67 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.434 -0.791 . . . . 0.0 110.018 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 . . . . . 0 N--CA 1.491 1.593 0 O-C-N 121.176 -0.953 . . . . 0.0 110.246 -179.886 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.238 0.542 . . . . 0.0 110.184 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.446 ' O ' ' O ' ' A' ' 3' ' ' TRP . 92.0 mtt-85 -141.05 134.94 30.51 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.286 -0.884 . . . . 0.0 110.185 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.446 ' O ' ' O ' ' A' ' 2' ' ' ARG . 3.3 m-90 50.21 99.75 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.247 -0.908 . . . . 0.0 110.152 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 12.8 m -137.21 118.13 14.23 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.266 -0.896 . . . . 0.0 110.136 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -125.06 91.13 3.37 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.295 -0.878 . . . . 0.0 110.161 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.464 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -70.73 134.67 47.65 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.307 -0.871 . . . . 0.0 110.226 -179.922 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.508 ' CG1' ' OH ' ' A' ' 15' ' ' TYR . 78.8 t -134.16 116.26 22.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.362 -0.837 . . . . 0.0 109.886 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.543 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 17.5 m -91.48 166.4 12.88 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.272 -0.893 . . . . 0.0 110.505 -179.619 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.503 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.8 OUTLIER -106.65 96.73 6.65 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.213 -0.93 . . . . 0.0 109.918 179.656 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.468 ' HB2' ' O ' ' A' ' 9' ' ' TYR . 0.0 OUTLIER 56.27 59.55 3.62 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.189 -0.945 . . . . 0.0 109.785 -179.545 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.459 ' O ' ' CG ' ' A' ' 12' ' ' ARG . . . 58.56 18.46 37.68 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.631 -1.388 . . . . 0.0 109.631 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.503 ' O ' ' N ' ' A' ' 9' ' ' TYR . 1.1 mtm105 -160.33 153.94 22.44 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.194 -1.18 . . . . 0.0 110.312 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.481 ' O ' ' N ' ' A' ' 9' ' ' TYR . 1.2 m-85 63.37 95.14 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.295 -0.878 . . . . 0.0 109.859 -179.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.543 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 11.2 m -119.06 153.12 35.25 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.42 -0.8 . . . . 0.0 110.672 -179.529 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.572 ' N ' ' CD1' ' A' ' 15' ' ' TYR . 7.7 p90 -142.31 78.54 1.63 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.549 -0.719 . . . . 0.0 109.944 179.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.464 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . 0.2 OUTLIER -52.41 174.77 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.46 -0.775 . . . . 0.0 110.309 -179.815 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.439 ' O ' ' SG ' ' A' ' 18' ' ' CYS . 2.6 tptt -155.13 116.37 3.99 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.325 -0.859 . . . . 0.0 110.184 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.439 ' SG ' ' O ' ' A' ' 17' ' ' LYS . 73.2 m -149.64 146.15 27.13 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.147 -0.971 . . . . 0.0 110.369 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.673 0 O-C-N 121.26 -0.9 . . . . 0.0 110.256 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.5 mtp180 . . . . . 0 N--CA 1.492 1.656 0 CA-C-O 121.275 0.559 . . . . 0.0 110.226 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -119.01 97.52 5.73 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.243 -0.911 . . . . 0.0 110.203 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.425 ' O ' ' CB ' ' A' ' 4' ' ' CYS . 0.0 OUTLIER 176.34 93.18 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.236 -0.915 . . . . 0.0 110.316 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.425 ' CB ' ' O ' ' A' ' 3' ' ' TRP . 0.1 OUTLIER 66.14 137.63 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.277 -0.889 . . . . 0.0 110.314 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.534 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 33.2 m-85 -109.97 83.17 1.71 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.31 -0.869 . . . . 0.0 110.113 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 40.4 mtm180 -67.87 111.44 4.34 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.288 -0.882 . . . . 0.0 110.36 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.458 ' O ' ' CD2' ' A' ' 15' ' ' TYR . 60.5 t -125.4 117.31 49.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.337 -0.852 . . . . 0.0 110.042 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.478 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 77.3 m -122.0 115.81 23.19 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.271 -0.893 . . . . 0.0 110.433 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.463 ' O ' ' HB2' ' A' ' 12' ' ' ARG . 24.2 t80 -72.98 96.34 2.12 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.28 -0.887 . . . . 0.0 110.027 179.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.479 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 45.5 mmt-85 42.25 53.09 4.5 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.304 -0.873 . . . . 0.0 110.252 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 48.73 29.79 8.24 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 110.055 -1.218 . . . . 0.0 110.055 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.544 ' O ' ' CG ' ' A' ' 13' ' ' PHE . 17.5 mmt180 -99.83 -11.04 21.11 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.001 -1.293 . . . . 0.0 110.103 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.573 ' O ' ' CZ ' ' A' ' 15' ' ' TYR . 0.1 OUTLIER 166.03 101.54 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.506 -0.746 . . . . 0.0 109.913 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.478 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 36.5 m -73.98 155.07 38.99 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.339 -0.85 . . . . 0.0 110.31 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.573 ' CZ ' ' O ' ' A' ' 13' ' ' PHE . 22.3 m-85 -127.22 80.31 1.94 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.324 -0.86 . . . . 0.0 109.933 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 27.3 mtt180 -69.99 121.78 18.07 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.337 -0.852 . . . . 0.0 110.341 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -120.43 109.21 15.05 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.24 -0.912 . . . . 0.0 110.154 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -155.46 123.98 5.97 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.318 -0.864 . . . . 0.0 110.285 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.667 0 O-C-N 121.259 -0.901 . . . . 0.0 110.133 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.302 0.572 . . . . 0.0 110.178 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.467 ' O ' ' HB2' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -117.12 146.21 43.3 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.217 -0.927 . . . . 0.0 110.213 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.473 ' O ' ' O ' ' A' ' 4' ' ' CYS . 97.7 m95 56.4 104.71 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.325 -0.859 . . . . 0.0 110.2 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.473 ' O ' ' O ' ' A' ' 3' ' ' TRP . 60.3 m 57.27 118.09 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.42 -0.8 . . . . 0.0 110.435 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -109.4 88.38 2.72 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.24 -0.912 . . . . 0.0 110.137 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.3 ttp180 -53.32 130.88 36.46 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.237 -0.915 . . . . 0.0 110.214 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 44.0 t -131.43 127.68 60.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.274 -0.891 . . . . 0.0 110.173 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 36.0 m -114.01 129.06 56.63 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.314 -0.866 . . . . 0.0 110.315 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.469 ' O ' ' HB2' ' A' ' 12' ' ' ARG . 3.0 t80 -82.38 89.98 6.65 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.245 -0.91 . . . . 0.0 110.065 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.464 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 9.8 mmt180 58.03 54.59 5.85 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.364 -0.835 . . . . 0.0 110.325 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 10' ' ' ARG . . . 39.14 47.74 2.64 Favored Glycine 0 N--CA 1.493 2.447 0 N-CA-C 110.364 -1.094 . . . . 0.0 110.364 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.517 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 18.0 mtt180 -119.58 -16.43 8.86 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.051 -1.264 . . . . 0.0 110.378 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.517 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER 166.38 101.92 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.48 -0.763 . . . . 0.0 110.163 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 60.1 m -73.43 143.87 46.54 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.374 -0.829 . . . . 0.0 110.157 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.479 ' CD1' ' N ' ' A' ' 15' ' ' TYR . 12.5 p90 -133.68 79.18 1.81 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.234 -0.916 . . . . 0.0 109.821 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -45.09 166.67 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.418 -0.801 . . . . 0.0 110.288 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.02 105.93 4.34 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.188 -0.945 . . . . 0.0 110.187 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.4 m -141.2 147.27 38.08 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.362 -0.836 . . . . 0.0 110.104 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.636 0 O-C-N 121.211 -0.931 . . . . 0.0 110.265 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.154 0.502 . . . . 0.0 110.11 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.5 mtm180 -159.72 115.38 2.45 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.35 -0.844 . . . . 0.0 110.312 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.507 ' CE3' ' HA ' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -125.42 83.32 2.15 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.197 -0.939 . . . . 0.0 110.236 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.449 ' HA ' ' HB3' ' A' ' 18' ' ' CYS . 13.0 t -98.47 141.88 30.78 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.281 -0.887 . . . . 0.0 110.306 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -113.18 87.14 2.53 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.443 -0.786 . . . . 0.0 110.136 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.46 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 0.1 OUTLIER -65.19 136.66 56.91 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.356 -0.84 . . . . 0.0 110.36 -179.855 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 98.8 t -134.1 111.49 15.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.348 -0.845 . . . . 0.0 109.932 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.538 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 23.9 m -87.4 167.8 13.7 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.259 -0.901 . . . . 0.0 110.476 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.503 ' CB ' ' HB2' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -110.24 96.36 6.17 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.146 -0.971 . . . . 0.0 110.146 179.781 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.464 ' HG2' ' O ' ' A' ' 10' ' ' ARG . 15.3 ttm-85 57.44 59.4 3.33 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.177 -0.952 . . . . 0.0 109.946 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.516 ' O ' ' CG ' ' A' ' 12' ' ' ARG . . . 56.31 23.28 40.57 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.678 -1.369 . . . . 0.0 109.678 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.516 ' CG ' ' O ' ' A' ' 11' ' ' GLY . 16.7 mtt85 -164.91 144.95 7.2 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.115 -1.227 . . . . 0.0 110.655 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.503 ' HB2' ' CB ' ' A' ' 9' ' ' TYR . 4.8 m-85 69.57 95.34 0.07 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.337 -0.852 . . . . 0.0 110.128 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.538 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 8.0 m -118.76 153.85 33.76 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.414 -0.803 . . . . 0.0 110.525 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.556 ' O ' ' CG ' ' A' ' 15' ' ' TYR . 7.2 p90 -145.07 82.29 1.66 Allowed 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 119.939 -0.704 . . . . 0.0 110.047 179.766 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.46 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . 2.1 ptt180 -43.37 152.28 0.14 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.314 -0.866 . . . . 0.0 110.224 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.8 97.2 3.98 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.224 -0.923 . . . . 0.0 110.178 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.449 ' HB3' ' HA ' ' A' ' 4' ' ' CYS . 7.5 p -174.76 130.54 0.33 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.453 -0.779 . . . . 0.0 110.23 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.6 mmt85 . . . . . 0 N--CA 1.492 1.629 0 O-C-N 121.292 -0.88 . . . . 0.0 110.148 179.969 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.283 0.563 . . . . 0.0 110.261 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -55.87 149.64 14.56 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.21 -0.931 . . . . 0.0 110.245 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -145.91 91.57 2.1 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.343 -0.848 . . . . 0.0 110.191 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 50.9 m -49.87 123.25 7.71 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.272 -0.893 . . . . 0.0 110.326 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.488 ' O ' ' NH2' ' A' ' 16' ' ' ARG . 23.9 m-85 -65.99 -174.52 0.25 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.293 -0.879 . . . . 0.0 110.088 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.465 ' O ' ' HG3' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -161.72 117.08 2.02 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.277 -0.889 . . . . 0.0 110.315 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.443 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 5.5 t -134.66 120.98 33.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.246 -0.908 . . . . 0.0 110.09 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.55 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -119.67 160.85 21.73 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.268 -0.895 . . . . 0.0 110.481 -179.882 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.522 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.8 OUTLIER -100.38 107.21 18.91 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.367 -0.833 . . . . 0.0 110.197 -179.919 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.404 ' HA ' ' HD3' ' A' ' 10' ' ' ARG . 58.5 mmt-85 50.35 60.42 3.85 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.24 -0.913 . . . . 0.0 109.701 -179.755 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 54.28 24.98 31.63 Favored Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.256 -1.538 . . . . 0.0 109.256 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.522 ' O ' ' N ' ' A' ' 9' ' ' TYR . 0.5 OUTLIER -157.66 146.31 19.37 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.273 -1.134 . . . . 0.0 110.4 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.519 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 3.3 m-85 69.74 94.71 0.07 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.477 -0.765 . . . . 0.0 110.151 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.55 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 0.7 OUTLIER -104.5 152.64 22.13 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.38 -0.825 . . . . 0.0 110.41 -179.82 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -116.42 75.67 0.97 Allowed 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.433 -0.792 . . . . 0.0 109.515 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.492 ' NH1' ' HB3' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -67.32 149.26 50.57 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.515 -0.74 . . . . 0.0 110.393 -179.447 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.461 ' O ' ' HB3' ' A' ' 18' ' ' CYS . 3.2 tttm -172.77 100.1 0.14 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.249 -0.907 . . . . 0.0 110.336 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.461 ' HB3' ' O ' ' A' ' 17' ' ' LYS . 19.3 p -178.17 139.19 0.2 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.447 -0.783 . . . . 0.0 110.228 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.584 0 O-C-N 121.139 -0.975 . . . . 0.0 110.269 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.3 tpp85 . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 121.208 0.528 . . . . 0.0 110.182 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.488 ' CG ' ' CZ ' ' A' ' 5' ' ' PHE . 0.1 OUTLIER 62.17 96.64 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.246 -0.909 . . . . 0.0 110.108 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.461 ' O ' ' O ' ' A' ' 4' ' ' CYS . 4.0 m-90 -119.8 77.09 1.2 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.27 -0.894 . . . . 0.0 110.24 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.461 ' O ' ' O ' ' A' ' 3' ' ' TRP . 22.4 m 55.57 112.94 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.445 -0.785 . . . . 0.0 110.458 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.488 ' CZ ' ' CG ' ' A' ' 2' ' ' ARG . 28.4 m-85 -76.06 173.01 11.82 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.311 -0.868 . . . . 0.0 110.108 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.14 127.49 4.52 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.238 -0.914 . . . . 0.0 110.253 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 45.7 t -132.6 130.67 59.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.294 -0.879 . . . . 0.0 110.272 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.465 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 5.9 m -131.28 118.91 21.03 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.344 -0.847 . . . . 0.0 110.237 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.464 ' O ' ' HB2' ' A' ' 12' ' ' ARG . 15.7 t80 -83.21 92.41 7.46 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.358 -0.839 . . . . 0.0 110.619 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.525 ' HB3' ' CD ' ' A' ' 12' ' ' ARG . 42.4 tpt85 39.29 59.81 1.65 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.431 -0.793 . . . . 0.0 111.063 179.543 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 10' ' ' ARG . . . 41.59 37.43 1.88 Allowed Glycine 0 N--CA 1.492 2.394 0 N-CA-C 110.489 -1.045 . . . . 0.0 110.489 179.402 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.525 ' CD ' ' HB3' ' A' ' 10' ' ' ARG . 1.2 mtp180 -126.73 1.41 6.75 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.149 -1.206 . . . . 0.0 109.892 179.4 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.471 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER 169.72 100.09 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.509 -0.744 . . . . 0.0 109.883 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.465 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 48.1 m -100.43 154.15 18.76 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.402 -0.811 . . . . 0.0 110.258 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -129.32 81.08 2.0 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.316 -0.865 . . . . 0.0 110.152 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.15 154.51 9.96 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.287 -0.883 . . . . 0.0 110.326 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -166.01 93.72 0.54 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.304 -0.873 . . . . 0.0 110.064 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.457 ' O ' ' HG2' ' A' ' 19' ' ' ARG . 49.5 t -133.69 124.53 26.88 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.566 -0.709 . . . . 0.0 110.19 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.457 ' HG2' ' O ' ' A' ' 18' ' ' CYS . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.6 0 O-C-N 121.277 -0.89 . . . . 0.0 110.192 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.265 0.555 . . . . 0.0 110.247 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 36.7 mtp85 -137.01 127.79 27.25 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.183 -0.948 . . . . 0.0 110.225 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.426 ' O ' ' CB ' ' A' ' 4' ' ' CYS . 45.7 m95 53.77 99.45 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.27 -0.894 . . . . 0.0 110.17 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.426 ' CB ' ' O ' ' A' ' 3' ' ' TRP . 0.5 OUTLIER 64.03 137.9 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.33 -0.856 . . . . 0.0 110.194 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -111.57 138.76 47.69 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.364 -0.835 . . . . 0.0 110.173 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.456 ' CB ' ' HA ' ' A' ' 16' ' ' ARG . 4.6 ptt-85 -136.99 132.23 34.03 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.243 -0.911 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.2 t -86.58 114.33 25.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.34 -0.85 . . . . 0.0 110.316 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.571 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 20.3 m -95.31 156.65 16.23 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.266 -0.896 . . . . 0.0 110.071 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.522 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -106.84 95.86 6.03 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.109 -0.994 . . . . 0.0 110.156 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.3 tpp85 52.24 63.78 2.11 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.348 -0.845 . . . . 0.0 110.108 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.434 ' O ' ' CG ' ' A' ' 12' ' ' ARG . . . 55.53 21.26 27.22 Favored Glycine 0 N--CA 1.489 2.232 0 N-CA-C 109.404 -1.479 . . . . 0.0 109.404 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.522 ' O ' ' CB ' ' A' ' 9' ' ' TYR . 76.6 mtt-85 -156.96 148.33 22.2 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.291 -1.123 . . . . 0.0 110.329 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.5 ' CB ' ' HB2' ' A' ' 9' ' ' TYR . 0.2 OUTLIER 64.98 95.28 0.05 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.39 -0.819 . . . . 0.0 110.05 -179.883 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.571 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 84.6 m -118.63 148.98 42.15 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.523 -0.736 . . . . 0.0 110.605 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -127.55 82.15 2.07 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.47 -0.769 . . . . 0.0 110.036 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.456 ' HA ' ' CB ' ' A' ' 6' ' ' ARG . 0.6 OUTLIER -59.13 161.86 4.9 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.178 -0.951 . . . . 0.0 110.102 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -172.08 108.84 0.23 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.251 -0.906 . . . . 0.0 110.22 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -114.28 119.83 38.33 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.371 -0.83 . . . . 0.0 110.254 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.586 0 O-C-N 121.275 -0.891 . . . . 0.0 110.189 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.225 0.536 . . . . 0.0 110.177 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 -111.11 133.36 53.53 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.26 -0.9 . . . . 0.0 110.182 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.476 ' O ' ' O ' ' A' ' 4' ' ' CYS . 0.0 OUTLIER -148.95 82.6 1.44 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.196 -0.94 . . . . 0.0 110.271 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.5 ' HA ' ' CB ' ' A' ' 18' ' ' CYS . 4.1 m 58.73 142.64 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.471 -0.768 . . . . 0.0 110.445 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -124.73 123.31 39.72 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.303 -0.873 . . . . 0.0 110.279 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.05 136.58 32.94 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.28 -0.888 . . . . 0.0 110.106 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 24.2 t -136.86 135.93 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.276 -0.89 . . . . 0.0 110.368 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.482 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 21.8 m -124.51 132.43 53.47 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.376 -0.827 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.48 ' O ' ' HB2' ' A' ' 12' ' ' ARG . 1.6 t80 -82.4 85.73 6.85 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.258 -0.901 . . . . 0.0 110.099 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 11' ' ' GLY . 0.1 OUTLIER 61.5 55.87 2.71 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.418 -0.801 . . . . 0.0 110.322 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 10' ' ' ARG . . . 38.88 47.86 2.46 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 110.306 -1.117 . . . . 0.0 110.306 179.568 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.5 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 9.0 mmt180 -119.28 -18.03 8.71 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.082 -1.246 . . . . 0.0 110.164 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.5 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER 167.19 101.93 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.519 -0.738 . . . . 0.0 110.18 179.858 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.482 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 63.2 m -71.99 148.92 45.47 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.363 -0.836 . . . . 0.0 110.193 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.497 ' N ' ' CD1' ' A' ' 15' ' ' TYR . 5.9 p90 -138.98 81.94 1.87 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.406 -0.809 . . . . 0.0 109.788 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 15' ' ' TYR . 7.9 mtm105 -41.56 161.47 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.363 -0.835 . . . . 0.0 110.265 -179.735 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.404 ' O ' ' HB3' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -161.18 109.22 1.52 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.222 -0.924 . . . . 0.0 110.306 -179.891 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.5 ' CB ' ' HA ' ' A' ' 4' ' ' CYS . 7.2 p -179.52 129.1 0.1 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.368 -0.832 . . . . 0.0 110.309 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.631 0 O-C-N 121.272 -0.893 . . . . 0.0 110.183 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.42 ' O ' ' CG ' ' A' ' 1' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 121.256 0.55 . . . . 0.0 110.198 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -148.03 104.8 3.59 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.27 -0.894 . . . . 0.0 110.237 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.476 ' O ' ' HB2' ' A' ' 4' ' ' CYS . 2.7 t-105 -146.69 81.56 1.56 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.236 -0.915 . . . . 0.0 110.187 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.476 ' HB2' ' O ' ' A' ' 3' ' ' TRP . 1.9 m 59.03 131.1 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.379 -0.826 . . . . 0.0 110.47 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -123.56 -176.39 3.44 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.177 -0.952 . . . . 0.0 110.243 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.494 ' O ' ' CG ' ' A' ' 6' ' ' ARG . 6.8 ptt85 -167.52 114.05 0.74 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.195 -0.94 . . . . 0.0 110.308 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.1 t -102.26 137.02 31.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.36 -0.837 . . . . 0.0 110.205 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 12.7 m -117.37 123.66 47.02 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.264 -0.897 . . . . 0.0 110.365 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.478 ' O ' ' HB3' ' A' ' 12' ' ' ARG . 1.7 t80 -95.43 100.32 12.1 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.349 -0.845 . . . . 0.0 110.166 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' A' ' 11' ' ' GLY . 35.1 ttt180 39.79 55.01 2.53 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.304 -0.872 . . . . 0.0 110.748 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 10' ' ' ARG . . . 37.95 32.78 0.13 Allowed Glycine 0 N--CA 1.493 2.463 0 N-CA-C 110.488 -1.045 . . . . 0.0 110.488 179.534 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.516 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 0.5 OUTLIER -108.38 -8.65 15.57 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.053 -1.263 . . . . 0.0 109.728 179.711 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.516 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER 166.89 101.55 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.578 -0.702 . . . . 0.0 109.802 179.902 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 86.0 m -87.5 162.79 17.04 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.334 -0.854 . . . . 0.0 110.31 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -129.19 82.77 2.1 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.343 -0.848 . . . . 0.0 110.03 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.75 132.03 39.05 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.315 -0.866 . . . . 0.0 110.191 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.45 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 9.8 mmtt -110.48 103.2 11.79 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.179 -0.951 . . . . 0.0 110.082 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 17' ' ' LYS . 0.1 OUTLIER 178.05 134.23 0.07 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.417 -0.802 . . . . 0.0 110.188 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.5 mtm180 . . . . . 0 N--CA 1.491 1.589 0 O-C-N 121.169 -0.957 . . . . 0.0 110.185 179.946 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.573 0 CA-C-O 121.217 0.532 . . . . 0.0 110.214 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.86 114.12 25.1 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.295 -0.878 . . . . 0.0 110.157 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.408 ' O ' ' O ' ' A' ' 4' ' ' CYS . 0.0 OUTLIER -173.76 92.98 0.09 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.242 -0.911 . . . . 0.0 110.133 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.408 ' O ' ' O ' ' A' ' 3' ' ' TRP . 0.0 OUTLIER 62.55 133.15 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.295 -0.878 . . . . 0.0 110.092 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.44 ' O ' HG22 ' A' ' 7' ' ' VAL . 19.7 m-85 -114.68 84.66 2.1 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.33 -0.856 . . . . 0.0 110.114 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.459 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 24.8 mtt180 -58.68 128.83 39.16 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.299 -0.876 . . . . 0.0 110.413 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.44 HG22 ' O ' ' A' ' 5' ' ' PHE . 5.6 t -133.26 131.09 58.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.335 -0.853 . . . . 0.0 109.862 179.677 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.512 ' SG ' ' N ' ' A' ' 14' ' ' CYS . 1.4 t -130.03 143.93 51.06 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.249 -0.907 . . . . 0.0 110.443 -179.725 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.471 ' O ' ' HB2' ' A' ' 12' ' ' ARG . 8.0 t80 -96.34 92.48 6.35 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.4 -0.813 . . . . 0.0 110.292 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.471 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.1 OUTLIER 60.37 52.27 4.89 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.27 -0.894 . . . . 0.0 110.496 179.881 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 10' ' ' ARG . . . 38.11 38.57 0.58 Allowed Glycine 0 N--CA 1.494 2.52 0 N-CA-C 110.427 -1.069 . . . . 0.0 110.427 179.492 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.582 ' O ' ' CG ' ' A' ' 13' ' ' PHE . 0.4 OUTLIER -111.74 -11.02 14.02 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.127 -1.219 . . . . 0.0 110.283 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.582 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER 169.86 100.57 0.01 OUTLIER 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.544 -0.723 . . . . 0.0 110.054 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.512 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 11.0 m -85.08 150.3 24.96 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.378 -0.827 . . . . 0.0 110.212 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.623 ' N ' ' CD1' ' A' ' 15' ' ' TYR . 2.6 p90 -141.04 78.31 1.64 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.266 -0.897 . . . . 0.0 109.962 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.459 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . 24.5 mtm180 -45.49 167.12 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.481 -0.762 . . . . 0.0 110.212 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -142.82 110.21 5.72 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.27 -0.894 . . . . 0.0 110.186 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -140.43 141.14 35.53 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.397 -0.814 . . . . 0.0 110.094 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.49 1.554 0 O-C-N 121.243 -0.911 . . . . 0.0 110.23 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.469 ' O ' ' CB ' ' A' ' 2' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.226 0.536 . . . . 0.0 110.115 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.469 ' CB ' ' O ' ' A' ' 1' ' ' ARG . 0.0 OUTLIER 66.37 129.11 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.282 -0.886 . . . . 0.0 110.224 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.456 ' O ' ' O ' ' A' ' 2' ' ' ARG . 62.4 m95 44.14 94.32 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.239 -0.913 . . . . 0.0 110.154 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.413 ' HB3' ' HB2' ' A' ' 18' ' ' CYS . 66.0 m -43.68 122.78 2.86 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.293 -0.879 . . . . 0.0 110.329 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -89.47 175.53 7.27 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.234 -0.916 . . . . 0.0 110.041 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.58 129.08 1.85 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.149 -0.969 . . . . 0.0 110.411 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.574 ' O ' ' CD2' ' A' ' 15' ' ' TYR . 21.9 t -113.74 127.14 71.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.31 -0.869 . . . . 0.0 110.191 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 5.2 t -135.59 145.89 47.38 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.304 -0.872 . . . . 0.0 110.29 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.465 ' O ' ' HB2' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -110.75 94.8 5.18 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.413 -0.804 . . . . 0.0 110.562 -179.924 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.494 ' O ' ' N ' ' A' ' 12' ' ' ARG . 7.9 tpp180 60.54 53.33 4.17 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.294 -0.879 . . . . 0.0 110.677 179.636 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 10' ' ' ARG . . . 37.67 28.75 0.04 OUTLIER Glycine 0 N--CA 1.494 2.533 0 N-CA-C 110.583 -1.007 . . . . 0.0 110.583 179.335 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.573 ' O ' ' CG ' ' A' ' 13' ' ' PHE . 0.2 OUTLIER -96.45 -12.82 23.69 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.053 -1.263 . . . . 0.0 110.073 179.693 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.573 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER 168.25 98.16 0.0 OUTLIER 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.692 -0.63 . . . . 0.0 109.781 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 23.6 m -83.34 163.99 20.29 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.381 -0.824 . . . . 0.0 110.321 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.574 ' CD2' ' O ' ' A' ' 7' ' ' VAL . 19.5 m-85 -128.66 81.85 2.05 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.235 -0.915 . . . . 0.0 110.035 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.64 141.26 44.19 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.282 -0.886 . . . . 0.0 110.256 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.6 tptp -147.56 103.9 3.57 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.265 -0.897 . . . . 0.0 110.161 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.413 ' HB2' ' HB3' ' A' ' 4' ' ' CYS . 35.4 t -160.29 100.29 1.35 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.408 -0.807 . . . . 0.0 110.163 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.571 0 O-C-N 121.304 -0.872 . . . . 0.0 110.245 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 18.0 t . . . . . 0 N--CA 1.493 1.685 0 CA-C-O 121.432 0.634 . . . . 0.0 110.229 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -127.36 126.75 43.08 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.389 -0.82 . . . . 0.0 110.143 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.457 ' CB ' ' HA ' ' A' ' 16' ' ' ARG . 5.6 ptt85 -116.24 131.36 56.97 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.266 -0.896 . . . . 0.0 110.28 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.484 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 91.1 t -91.59 122.48 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.307 -0.87 . . . . 0.0 110.127 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.523 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 1.2 m -96.31 163.58 13.02 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.18 -0.95 . . . . 0.0 110.233 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.529 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 2.4 t80 -112.6 96.1 5.8 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.176 -0.953 . . . . 0.0 110.401 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.422 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 0.6 OUTLIER 55.65 61.93 2.63 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.238 -0.914 . . . . 0.0 110.285 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 58.32 17.37 31.55 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.851 -1.3 . . . . 0.0 109.851 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.529 ' CG ' ' O ' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -161.0 153.25 20.21 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.139 -1.212 . . . . 0.0 110.504 179.88 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.522 ' HB3' ' HB2' ' A' ' 9' ' ' TYR . 0.3 OUTLIER 67.33 96.22 0.06 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.427 -0.796 . . . . 0.0 109.767 -179.575 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.523 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 0.1 OUTLIER -119.63 154.71 33.58 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.513 -0.742 . . . . 0.0 110.936 -179.644 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.414 ' O ' ' C ' ' A' ' 16' ' ' ARG . 18.0 m-85 -122.84 76.5 1.36 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.663 -0.648 . . . . 0.0 109.601 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.457 ' HA ' ' CB ' ' A' ' 6' ' ' ARG . 2.6 mtt180 -42.96 153.11 0.09 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.434 -0.791 . . . . 0.0 110.298 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.4 tttp . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.23 -0.919 . . . . 0.0 110.131 179.934 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 37.3 m . . . . . 0 N--CA 1.493 1.719 0 CA-C-O 121.3 0.571 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -98.49 147.97 24.21 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.21 -0.932 . . . . 0.0 110.088 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -102.66 135.14 44.85 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.253 -0.904 . . . . 0.0 110.377 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.681 HG12 ' CZ ' ' A' ' 15' ' ' TYR . 75.3 t -129.33 138.37 54.54 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.311 -0.868 . . . . 0.0 110.224 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.463 ' SG ' ' N ' ' A' ' 14' ' ' CYS . 0.9 OUTLIER -139.67 152.38 46.68 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.209 -0.932 . . . . 0.0 110.477 -179.846 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.461 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 1.5 m-30 -110.01 97.55 7.03 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.377 -0.827 . . . . 0.0 110.385 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.476 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 16.3 mmt180 59.5 52.29 5.89 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.359 -0.838 . . . . 0.0 110.762 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.473 ' C ' ' O ' ' A' ' 10' ' ' ARG . . . 34.28 47.96 0.59 Allowed Glycine 0 N--CA 1.496 2.657 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 179.295 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.489 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 8.5 mmt180 -121.71 -11.66 8.59 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.022 -1.281 . . . . 0.0 110.42 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.489 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER 169.75 100.54 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.694 0 O-C-N 121.45 -0.781 . . . . 0.0 110.01 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.463 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 14.6 m -84.26 159.87 20.88 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.455 -0.778 . . . . 0.0 110.183 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.681 ' CZ ' HG12 ' A' ' 7' ' ' VAL . 4.4 p90 -149.73 81.24 1.39 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.325 -0.859 . . . . 0.0 109.819 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -41.94 153.4 0.06 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.469 -0.77 . . . . 0.0 110.21 -179.786 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.8 tptt . . . . . 0 N--CA 1.491 1.622 0 O-C-N 121.275 -0.891 . . . . 0.0 110.304 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.48 ' C ' ' CG ' ' A' ' 5' ' ' PHE . 29.8 p . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.379 0.609 . . . . 0.0 110.165 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.48 ' CG ' ' C ' ' A' ' 4' ' ' CYS . 54.0 m-85 -149.21 -143.85 0.14 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.284 -0.885 . . . . 0.0 110.256 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.41 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 6.1 mtt180 -111.18 135.72 51.3 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.198 -0.939 . . . . 0.0 110.4 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.42 HG11 ' OH ' ' A' ' 15' ' ' TYR . 60.8 t -121.87 107.12 19.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.378 -0.826 . . . . 0.0 109.903 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.511 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 20.1 m -88.03 164.12 15.93 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.343 -0.848 . . . . 0.0 110.461 -179.704 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.523 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -107.76 97.01 6.79 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.155 -0.966 . . . . 0.0 110.125 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.448 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 4.6 tpt180 55.73 62.2 2.51 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.219 -0.926 . . . . 0.0 110.153 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 57.22 22.73 44.79 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.877 -1.289 . . . . 0.0 109.877 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.523 ' CG ' ' O ' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -167.43 154.01 8.16 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.061 -1.258 . . . . 0.0 110.435 179.903 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.497 ' O ' ' N ' ' A' ' 9' ' ' TYR . 1.1 m-85 64.23 95.16 0.05 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.406 -0.809 . . . . 0.0 109.942 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.511 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 9.1 m -119.43 149.77 41.31 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.341 -0.849 . . . . 0.0 110.764 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.538 ' N ' ' CD1' ' A' ' 15' ' ' TYR . 14.7 p90 -143.3 82.11 1.73 Allowed 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 120.164 -0.614 . . . . 0.0 109.747 179.705 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 15' ' ' TYR . 14.3 ptt180 -42.27 129.44 3.8 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.401 -0.812 . . . . 0.0 110.266 -179.609 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.42 ' O ' ' HB2' ' A' ' 4' ' ' CYS . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.53 0 O-C-N 121.306 -0.872 . . . . 0.0 110.189 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 98.9 m . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 121.287 0.565 . . . . 0.0 110.24 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -120.18 112.81 19.55 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.227 -0.921 . . . . 0.0 110.257 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.484 ' HD3' ' HG2' ' A' ' 16' ' ' ARG . 1.2 mmt180 -75.58 125.55 29.25 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.184 -0.947 . . . . 0.0 110.065 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.45 ' HB ' ' HB2' ' A' ' 15' ' ' TYR . 48.5 t -124.75 114.81 42.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.266 -0.896 . . . . 0.0 110.372 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 62.4 m -122.79 117.65 26.15 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.368 -0.833 . . . . 0.0 110.001 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.471 ' O ' ' HB2' ' A' ' 12' ' ' ARG . 3.7 t80 -94.39 104.49 16.47 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.186 -0.947 . . . . 0.0 110.294 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.491 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 12.3 mmt180 39.63 52.45 2.41 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.428 -0.795 . . . . 0.0 110.579 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 10' ' ' ARG . . . 43.12 26.37 0.51 Allowed Glycine 0 N--CA 1.49 2.269 0 N-CA-C 110.255 -1.138 . . . . 0.0 110.255 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.567 ' O ' ' CD2' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -92.94 -12.22 31.4 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.888 -1.36 . . . . 0.0 109.93 179.57 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.567 ' CD2' ' O ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER 167.06 100.89 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.492 -0.755 . . . . 0.0 110.045 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.466 ' O ' ' CD1' ' A' ' 15' ' ' TYR . 13.6 m -79.63 158.0 27.16 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.34 -0.85 . . . . 0.0 110.21 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.466 ' CD1' ' O ' ' A' ' 14' ' ' CYS . 20.8 m-85 -128.67 81.89 2.05 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.238 -0.914 . . . . 0.0 110.0 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.484 ' HG2' ' HD3' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -67.97 112.05 4.75 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.327 -0.858 . . . . 0.0 110.277 -179.872 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.644 0 O-C-N 121.248 -0.908 . . . . 0.0 110.215 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.452 ' SG ' ' O ' ' A' ' 17' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.673 0 CA-C-O 121.44 0.638 . . . . 0.0 110.139 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.871 ' O ' HG23 ' A' ' 7' ' ' VAL . 94.5 m-85 -150.15 78.26 1.33 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.271 -0.893 . . . . 0.0 110.252 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.8 113.39 1.3 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.214 -0.929 . . . . 0.0 110.114 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.871 HG23 ' O ' ' A' ' 5' ' ' PHE . 21.5 t -116.82 127.29 74.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.272 -0.893 . . . . 0.0 110.267 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.421 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 85.0 m -125.98 125.56 42.9 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.304 -0.872 . . . . 0.0 110.277 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.494 ' O ' ' HB3' ' A' ' 12' ' ' ARG . 54.4 t80 -94.03 86.98 5.17 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.218 -0.926 . . . . 0.0 110.184 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.527 ' CZ ' ' HA ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER 62.22 54.67 2.58 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.416 -0.803 . . . . 0.0 110.449 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 10' ' ' ARG . . . 37.53 33.05 0.11 Allowed Glycine 0 N--CA 1.493 2.476 0 N-CA-C 110.621 -0.992 . . . . 0.0 110.621 179.443 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.541 ' O ' ' CG ' ' A' ' 13' ' ' PHE . 1.8 tpt85 -109.7 -7.01 15.14 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.035 -1.274 . . . . 0.0 109.873 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.541 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER 169.82 100.79 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.379 -0.825 . . . . 0.0 110.261 179.889 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.485 ' HA ' ' O ' ' A' ' 7' ' ' VAL . 53.1 m -82.1 153.66 25.97 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.381 -0.824 . . . . 0.0 110.078 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.446 ' N ' ' O ' ' A' ' 7' ' ' VAL . 21.5 m-85 -126.34 77.76 1.72 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.226 -0.921 . . . . 0.0 109.951 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 28.8 mtt180 -73.97 141.94 45.86 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.4 -0.812 . . . . 0.0 110.018 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.452 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.665 0 O-C-N 121.152 -0.968 . . . . 0.0 110.315 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 12.8 m . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 121.261 0.553 . . . . 0.0 110.136 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -125.06 91.13 3.37 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.295 -0.878 . . . . 0.0 110.161 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.446 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -70.73 134.67 47.65 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.307 -0.871 . . . . 0.0 110.226 -179.922 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.508 ' CG1' ' OH ' ' A' ' 15' ' ' TYR . 78.8 t -134.16 116.26 22.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.362 -0.837 . . . . 0.0 109.886 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.509 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 17.5 m -91.48 166.4 12.88 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.272 -0.893 . . . . 0.0 110.505 -179.619 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.492 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.8 OUTLIER -106.65 96.73 6.65 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.213 -0.93 . . . . 0.0 109.918 179.656 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.466 ' HB2' ' O ' ' A' ' 9' ' ' TYR . 0.0 OUTLIER 56.27 59.55 3.62 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.189 -0.945 . . . . 0.0 109.785 -179.545 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.475 ' O ' ' HG2' ' A' ' 12' ' ' ARG . . . 58.56 18.46 37.68 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.631 -1.388 . . . . 0.0 109.631 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 9' ' ' TYR . 1.1 mtm105 -160.33 153.94 22.44 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.194 -1.18 . . . . 0.0 110.312 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.484 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 1.2 m-85 63.37 95.14 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.295 -0.878 . . . . 0.0 109.859 -179.775 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.509 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 11.2 m -119.06 153.12 35.25 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.42 -0.8 . . . . 0.0 110.672 -179.529 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.572 ' N ' ' CD1' ' A' ' 15' ' ' TYR . 7.7 p90 -142.31 78.54 1.63 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.549 -0.719 . . . . 0.0 109.944 179.726 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.446 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . 0.2 OUTLIER -52.41 174.77 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.46 -0.775 . . . . 0.0 110.309 -179.815 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.6 tptt . . . . . 0 N--CA 1.491 1.609 0 O-C-N 121.325 -0.859 . . . . 0.0 110.184 179.882 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.751 0 CA-C-O 121.475 0.655 . . . . 0.0 110.314 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.534 ' CD1' ' N ' ' A' ' 5' ' ' PHE . 33.2 m-85 -109.97 83.17 1.71 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.31 -0.869 . . . . 0.0 110.113 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 40.4 mtm180 -67.87 111.44 4.34 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.288 -0.882 . . . . 0.0 110.36 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.458 ' O ' ' CD2' ' A' ' 15' ' ' TYR . 60.5 t -125.4 117.31 49.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.337 -0.852 . . . . 0.0 110.042 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 77.3 m -122.0 115.81 23.19 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.271 -0.893 . . . . 0.0 110.433 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.448 ' O ' ' HB2' ' A' ' 12' ' ' ARG . 24.2 t80 -72.98 96.34 2.12 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.28 -0.887 . . . . 0.0 110.027 179.749 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.475 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 45.5 mmt-85 42.25 53.09 4.5 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.304 -0.873 . . . . 0.0 110.252 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 48.73 29.79 8.24 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 110.055 -1.218 . . . . 0.0 110.055 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.544 ' O ' ' CG ' ' A' ' 13' ' ' PHE . 17.5 mmt180 -99.83 -11.04 21.11 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.001 -1.293 . . . . 0.0 110.103 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.573 ' O ' ' CZ ' ' A' ' 15' ' ' TYR . 0.1 OUTLIER 166.03 101.54 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.506 -0.746 . . . . 0.0 109.913 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 36.5 m -73.98 155.07 38.99 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.339 -0.85 . . . . 0.0 110.31 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.573 ' CZ ' ' O ' ' A' ' 13' ' ' PHE . 22.3 m-85 -127.22 80.31 1.94 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.324 -0.86 . . . . 0.0 109.933 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 27.3 mtt180 -69.99 121.78 18.07 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.337 -0.852 . . . . 0.0 110.341 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt . . . . . 0 N--CA 1.49 1.535 0 O-C-N 121.24 -0.912 . . . . 0.0 110.154 179.825 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 60.3 m . . . . . 0 N--CA 1.495 1.824 0 CA-C-O 121.397 0.617 . . . . 0.0 110.435 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.763 ' O ' HG23 ' A' ' 7' ' ' VAL . 8.5 m-85 -109.4 88.38 2.72 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.24 -0.912 . . . . 0.0 110.137 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.3 ttp180 -53.32 130.88 36.46 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.237 -0.915 . . . . 0.0 110.214 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 5' ' ' PHE . 44.0 t -131.43 127.68 60.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.274 -0.891 . . . . 0.0 110.173 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 36.0 m -114.01 129.06 56.63 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.314 -0.866 . . . . 0.0 110.315 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.465 ' O ' ' HB2' ' A' ' 12' ' ' ARG . 3.0 t80 -82.38 89.98 6.65 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.245 -0.91 . . . . 0.0 110.065 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.471 ' CB ' ' HD2' ' A' ' 12' ' ' ARG . 9.8 mmt180 58.03 54.59 5.85 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.364 -0.835 . . . . 0.0 110.325 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 10' ' ' ARG . . . 39.14 47.74 2.64 Favored Glycine 0 N--CA 1.493 2.447 0 N-CA-C 110.364 -1.094 . . . . 0.0 110.364 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.517 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 18.0 mtt180 -119.58 -16.43 8.86 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.051 -1.264 . . . . 0.0 110.378 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.517 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER 166.38 101.92 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.48 -0.763 . . . . 0.0 110.163 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 60.1 m -73.43 143.87 46.54 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.374 -0.829 . . . . 0.0 110.157 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.479 ' CD1' ' N ' ' A' ' 15' ' ' TYR . 12.5 p90 -133.68 79.18 1.81 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.234 -0.916 . . . . 0.0 109.821 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -45.09 166.67 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.418 -0.801 . . . . 0.0 110.288 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.635 0 O-C-N 121.188 -0.945 . . . . 0.0 110.187 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 13.0 t . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.424 0.63 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -113.18 87.14 2.53 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.443 -0.786 . . . . 0.0 110.136 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.443 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 0.1 OUTLIER -65.19 136.66 56.91 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.356 -0.84 . . . . 0.0 110.36 -179.855 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 98.8 t -134.1 111.49 15.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.348 -0.845 . . . . 0.0 109.932 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.506 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 23.9 m -87.4 167.8 13.7 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.259 -0.901 . . . . 0.0 110.476 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.514 ' CB ' ' HB2' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -110.24 96.36 6.17 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.146 -0.971 . . . . 0.0 110.146 179.781 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.453 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 15.3 ttm-85 57.44 59.4 3.33 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.177 -0.952 . . . . 0.0 109.946 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.516 ' O ' ' CG ' ' A' ' 12' ' ' ARG . . . 56.31 23.28 40.57 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.678 -1.369 . . . . 0.0 109.678 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.516 ' CG ' ' O ' ' A' ' 11' ' ' GLY . 16.7 mtt85 -164.91 144.95 7.2 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.115 -1.227 . . . . 0.0 110.655 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.514 ' HB2' ' CB ' ' A' ' 9' ' ' TYR . 4.8 m-85 69.57 95.34 0.07 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.337 -0.852 . . . . 0.0 110.128 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.506 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 8.0 m -118.76 153.85 33.76 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.414 -0.803 . . . . 0.0 110.525 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.556 ' CG ' ' O ' ' A' ' 15' ' ' TYR . 7.2 p90 -145.07 82.29 1.66 Allowed 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 119.939 -0.704 . . . . 0.0 110.047 179.766 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.443 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . 2.1 ptt180 -43.37 152.28 0.14 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.314 -0.866 . . . . 0.0 110.224 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.614 0 O-C-N 121.224 -0.923 . . . . 0.0 110.178 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 50.9 m . . . . . 0 N--CA 1.492 1.659 0 CA-C-O 121.243 0.544 . . . . 0.0 110.326 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.488 ' O ' ' NH2' ' A' ' 16' ' ' ARG . 23.9 m-85 -65.99 -174.52 0.25 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.293 -0.879 . . . . 0.0 110.088 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.456 ' HG3' ' O ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -161.72 117.08 2.02 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.277 -0.889 . . . . 0.0 110.315 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.478 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 5.5 t -134.66 120.98 33.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.246 -0.908 . . . . 0.0 110.09 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.51 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -119.67 160.85 21.73 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.268 -0.895 . . . . 0.0 110.481 -179.882 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.522 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.8 OUTLIER -100.38 107.21 18.91 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.367 -0.833 . . . . 0.0 110.197 -179.919 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 58.5 mmt-85 50.35 60.42 3.85 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.24 -0.913 . . . . 0.0 109.701 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 54.28 24.98 31.63 Favored Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.256 -1.538 . . . . 0.0 109.256 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.522 ' O ' ' N ' ' A' ' 9' ' ' TYR . 0.5 OUTLIER -157.66 146.31 19.37 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.273 -1.134 . . . . 0.0 110.4 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.519 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 3.3 m-85 69.74 94.71 0.07 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.477 -0.765 . . . . 0.0 110.151 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.51 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 0.7 OUTLIER -104.5 152.64 22.13 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.38 -0.825 . . . . 0.0 110.41 -179.82 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -116.42 75.67 0.97 Allowed 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.433 -0.792 . . . . 0.0 109.515 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.488 ' NH2' ' O ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -67.32 149.26 50.57 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.515 -0.74 . . . . 0.0 110.393 -179.447 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.2 tttm . . . . . 0 N--CA 1.492 1.657 0 O-C-N 121.249 -0.907 . . . . 0.0 110.336 179.944 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 22.4 m . . . . . 0 N--CA 1.494 1.774 0 CA-C-O 121.324 0.583 . . . . 0.0 110.458 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -76.06 173.01 11.82 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.311 -0.868 . . . . 0.0 110.108 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.14 127.49 4.52 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.238 -0.914 . . . . 0.0 110.253 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 45.7 t -132.6 130.67 59.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.294 -0.879 . . . . 0.0 110.272 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 5.9 m -131.28 118.91 21.03 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.344 -0.847 . . . . 0.0 110.237 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.457 ' O ' ' HB2' ' A' ' 12' ' ' ARG . 15.7 t80 -83.21 92.41 7.46 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.358 -0.839 . . . . 0.0 110.619 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.519 ' HB3' ' CD ' ' A' ' 12' ' ' ARG . 42.4 tpt85 39.29 59.81 1.65 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.431 -0.793 . . . . 0.0 111.063 179.543 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 10' ' ' ARG . . . 41.59 37.43 1.88 Allowed Glycine 0 N--CA 1.492 2.394 0 N-CA-C 110.489 -1.045 . . . . 0.0 110.489 179.402 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.519 ' CD ' ' HB3' ' A' ' 10' ' ' ARG . 1.2 mtp180 -126.73 1.41 6.75 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.149 -1.206 . . . . 0.0 109.892 179.4 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.471 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER 169.72 100.09 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.509 -0.744 . . . . 0.0 109.883 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 48.1 m -100.43 154.15 18.76 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.402 -0.811 . . . . 0.0 110.258 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -129.32 81.08 2.0 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.316 -0.865 . . . . 0.0 110.152 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.15 154.51 9.96 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.287 -0.883 . . . . 0.0 110.326 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.606 0 O-C-N 121.304 -0.873 . . . . 0.0 110.064 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.494 1.734 0 CA-C-O 121.403 0.62 . . . . 0.0 110.194 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -111.57 138.76 47.69 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.364 -0.835 . . . . 0.0 110.173 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.431 ' HB3' ' HA ' ' A' ' 16' ' ' ARG . 4.6 ptt-85 -136.99 132.23 34.03 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.243 -0.911 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.404 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 7.2 t -86.58 114.33 25.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.34 -0.85 . . . . 0.0 110.316 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.528 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 20.3 m -95.31 156.65 16.23 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.266 -0.896 . . . . 0.0 110.071 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.522 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -106.84 95.86 6.03 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.109 -0.994 . . . . 0.0 110.156 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.3 tpp85 52.24 63.78 2.11 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.348 -0.845 . . . . 0.0 110.108 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.434 ' O ' ' CG ' ' A' ' 12' ' ' ARG . . . 55.53 21.26 27.22 Favored Glycine 0 N--CA 1.489 2.232 0 N-CA-C 109.404 -1.479 . . . . 0.0 109.404 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.522 ' O ' ' CB ' ' A' ' 9' ' ' TYR . 76.6 mtt-85 -156.96 148.33 22.2 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.291 -1.123 . . . . 0.0 110.329 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.522 ' CB ' ' HB2' ' A' ' 9' ' ' TYR . 0.2 OUTLIER 64.98 95.28 0.05 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.39 -0.819 . . . . 0.0 110.05 -179.883 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.528 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 84.6 m -118.63 148.98 42.15 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.523 -0.736 . . . . 0.0 110.605 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -127.55 82.15 2.07 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.47 -0.769 . . . . 0.0 110.036 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.431 ' HA ' ' HB3' ' A' ' 6' ' ' ARG . 0.6 OUTLIER -59.13 161.86 4.9 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.178 -0.951 . . . . 0.0 110.102 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.593 0 O-C-N 121.251 -0.906 . . . . 0.0 110.22 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.1 m . . . . . 0 N--CA 1.494 1.76 0 CA-C-O 121.481 0.658 . . . . 0.0 110.445 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -124.73 123.31 39.72 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.303 -0.873 . . . . 0.0 110.279 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.422 ' HG3' ' HG3' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -89.05 136.58 32.94 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.28 -0.888 . . . . 0.0 110.106 179.886 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.404 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 24.2 t -136.86 135.93 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.276 -0.89 . . . . 0.0 110.368 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 21.8 m -124.51 132.43 53.47 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.376 -0.827 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.482 ' O ' ' HB2' ' A' ' 12' ' ' ARG . 1.6 t80 -82.4 85.73 6.85 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.258 -0.901 . . . . 0.0 110.099 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 11' ' ' GLY . 0.1 OUTLIER 61.5 55.87 2.71 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.418 -0.801 . . . . 0.0 110.322 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 10' ' ' ARG . . . 38.88 47.86 2.46 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 110.306 -1.117 . . . . 0.0 110.306 179.568 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.5 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 9.0 mmt180 -119.28 -18.03 8.71 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.082 -1.246 . . . . 0.0 110.164 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.5 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER 167.19 101.93 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.519 -0.738 . . . . 0.0 110.18 179.858 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 63.2 m -71.99 148.92 45.47 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.363 -0.836 . . . . 0.0 110.193 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.497 ' N ' ' CD1' ' A' ' 15' ' ' TYR . 5.9 p90 -138.98 81.94 1.87 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.406 -0.809 . . . . 0.0 109.788 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 15' ' ' TYR . 7.9 mtm105 -41.56 161.47 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.363 -0.835 . . . . 0.0 110.265 -179.735 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.591 0 O-C-N 121.222 -0.924 . . . . 0.0 110.306 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.45 ' SG ' ' O ' ' A' ' 17' ' ' LYS . 1.9 m . . . . . 0 N--CA 1.495 1.778 0 CA-C-O 121.471 0.653 . . . . 0.0 110.47 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -123.56 -176.39 3.44 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.177 -0.952 . . . . 0.0 110.243 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.494 ' CG ' ' O ' ' A' ' 6' ' ' ARG . 6.8 ptt85 -167.52 114.05 0.74 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.195 -0.94 . . . . 0.0 110.308 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.1 t -102.26 137.02 31.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.36 -0.837 . . . . 0.0 110.205 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 12.7 m -117.37 123.66 47.02 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.264 -0.897 . . . . 0.0 110.365 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.486 ' O ' ' HB3' ' A' ' 12' ' ' ARG . 1.7 t80 -95.43 100.32 12.1 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.349 -0.845 . . . . 0.0 110.166 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' A' ' 11' ' ' GLY . 35.1 ttt180 39.79 55.01 2.53 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.304 -0.872 . . . . 0.0 110.748 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 10' ' ' ARG . . . 37.95 32.78 0.13 Allowed Glycine 0 N--CA 1.493 2.463 0 N-CA-C 110.488 -1.045 . . . . 0.0 110.488 179.534 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.516 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 0.5 OUTLIER -108.38 -8.65 15.57 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.053 -1.263 . . . . 0.0 109.728 179.711 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.516 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER 166.89 101.55 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.578 -0.702 . . . . 0.0 109.802 179.902 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 86.0 m -87.5 162.79 17.04 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.334 -0.854 . . . . 0.0 110.31 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -129.19 82.77 2.1 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.343 -0.848 . . . . 0.0 110.03 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.75 132.03 39.05 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.315 -0.866 . . . . 0.0 110.191 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.45 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 9.8 mmtt . . . . . 0 N--CA 1.49 1.558 0 O-C-N 121.179 -0.951 . . . . 0.0 110.082 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.296 0.569 . . . . 0.0 110.092 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.734 ' O ' HG23 ' A' ' 7' ' ' VAL . 19.7 m-85 -114.68 84.66 2.1 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.33 -0.856 . . . . 0.0 110.114 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.46 ' HG2' ' CD ' ' A' ' 16' ' ' ARG . 24.8 mtt180 -58.68 128.83 39.16 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.299 -0.876 . . . . 0.0 110.413 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.734 HG23 ' O ' ' A' ' 5' ' ' PHE . 5.6 t -133.26 131.09 58.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.335 -0.853 . . . . 0.0 109.862 179.677 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.512 ' SG ' ' N ' ' A' ' 14' ' ' CYS . 1.4 t -130.03 143.93 51.06 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.249 -0.907 . . . . 0.0 110.443 -179.725 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.471 ' O ' ' HB2' ' A' ' 12' ' ' ARG . 8.0 t80 -96.34 92.48 6.35 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.4 -0.813 . . . . 0.0 110.292 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.486 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.1 OUTLIER 60.37 52.27 4.89 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.27 -0.894 . . . . 0.0 110.496 179.881 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 10' ' ' ARG . . . 38.11 38.57 0.58 Allowed Glycine 0 N--CA 1.494 2.52 0 N-CA-C 110.427 -1.069 . . . . 0.0 110.427 179.492 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.582 ' O ' ' CG ' ' A' ' 13' ' ' PHE . 0.4 OUTLIER -111.74 -11.02 14.02 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.127 -1.219 . . . . 0.0 110.283 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.582 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER 169.86 100.57 0.01 OUTLIER 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.544 -0.723 . . . . 0.0 110.054 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.512 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 11.0 m -85.08 150.3 24.96 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.378 -0.827 . . . . 0.0 110.212 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.623 ' N ' ' CD1' ' A' ' 15' ' ' TYR . 2.6 p90 -141.04 78.31 1.64 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.266 -0.897 . . . . 0.0 109.962 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.46 ' CD ' ' HG2' ' A' ' 6' ' ' ARG . 24.5 mtm180 -45.49 167.12 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.481 -0.762 . . . . 0.0 110.212 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.635 0 O-C-N 121.27 -0.894 . . . . 0.0 110.186 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 66.0 m . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.316 0.579 . . . . 0.0 110.329 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -89.47 175.53 7.27 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.234 -0.916 . . . . 0.0 110.041 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.58 129.08 1.85 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.149 -0.969 . . . . 0.0 110.411 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.574 ' O ' ' CD2' ' A' ' 15' ' ' TYR . 21.9 t -113.74 127.14 71.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.31 -0.869 . . . . 0.0 110.191 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 5.2 t -135.59 145.89 47.38 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.304 -0.872 . . . . 0.0 110.29 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.461 ' O ' ' HB2' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -110.75 94.8 5.18 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.413 -0.804 . . . . 0.0 110.562 -179.924 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.494 ' O ' ' N ' ' A' ' 12' ' ' ARG . 7.9 tpp180 60.54 53.33 4.17 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.294 -0.879 . . . . 0.0 110.677 179.636 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 10' ' ' ARG . . . 37.67 28.75 0.04 OUTLIER Glycine 0 N--CA 1.494 2.533 0 N-CA-C 110.583 -1.007 . . . . 0.0 110.583 179.335 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.573 ' O ' ' CG ' ' A' ' 13' ' ' PHE . 0.2 OUTLIER -96.45 -12.82 23.69 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.053 -1.263 . . . . 0.0 110.073 179.693 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.573 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER 168.25 98.16 0.0 OUTLIER 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.692 -0.63 . . . . 0.0 109.781 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 23.6 m -83.34 163.99 20.29 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.381 -0.824 . . . . 0.0 110.321 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.574 ' CD2' ' O ' ' A' ' 7' ' ' VAL . 19.5 m-85 -128.66 81.85 2.05 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.235 -0.915 . . . . 0.0 110.035 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.64 141.26 44.19 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.282 -0.886 . . . . 0.0 110.256 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.6 tptp . . . . . 0 N--CA 1.492 1.631 0 O-C-N 121.265 -0.897 . . . . 0.0 110.161 179.965 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.658 0 CA-C-O 121.25 0.548 . . . . 0.0 110.171 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.401 ' C ' ' CD1' ' A' ' 3' ' ' TRP . 11.3 mtt85 -94.48 150.06 20.63 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.209 -0.932 . . . . 0.0 110.228 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.561 ' CE3' ' O ' ' A' ' 3' ' ' TRP . 47.5 p-90 -178.95 109.95 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.281 -0.887 . . . . 0.0 110.035 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.47 ' HB3' ' O ' ' A' ' 3' ' ' TRP . 18.0 t 61.08 142.71 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.234 -0.916 . . . . 0.0 110.229 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -127.36 126.75 43.08 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.389 -0.82 . . . . 0.0 110.143 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.457 ' CB ' ' HA ' ' A' ' 16' ' ' ARG . 5.6 ptt85 -116.24 131.36 56.97 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.266 -0.896 . . . . 0.0 110.28 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.484 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 91.1 t -91.59 122.48 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.307 -0.87 . . . . 0.0 110.127 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.523 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 1.2 m -96.31 163.58 13.02 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.18 -0.95 . . . . 0.0 110.233 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.529 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 2.4 t80 -112.6 96.1 5.8 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.176 -0.953 . . . . 0.0 110.401 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.422 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 0.6 OUTLIER 55.65 61.93 2.63 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.238 -0.914 . . . . 0.0 110.285 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 58.32 17.37 31.55 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.851 -1.3 . . . . 0.0 109.851 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.529 ' CG ' ' O ' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -161.0 153.25 20.21 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.139 -1.212 . . . . 0.0 110.504 179.88 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.522 ' HB3' ' HB2' ' A' ' 9' ' ' TYR . 0.3 OUTLIER 67.33 96.22 0.06 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.427 -0.796 . . . . 0.0 109.767 -179.575 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.523 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 0.1 OUTLIER -119.63 154.71 33.58 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.513 -0.742 . . . . 0.0 110.936 -179.644 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.414 ' O ' ' C ' ' A' ' 16' ' ' ARG . 18.0 m-85 -122.84 76.5 1.36 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.663 -0.648 . . . . 0.0 109.601 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.457 ' HA ' ' CB ' ' A' ' 6' ' ' ARG . 2.6 mtt180 -42.96 153.11 0.09 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.434 -0.791 . . . . 0.0 110.298 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.4 tttp -167.57 106.47 0.55 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.23 -0.919 . . . . 0.0 110.131 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 41.8 m -105.66 138.13 42.36 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.299 -0.876 . . . . 0.0 110.232 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.592 0 O-C-N 121.29 -0.881 . . . . 0.0 110.174 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 121.244 0.545 . . . . 0.0 110.223 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.467 ' O ' ' HB2' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -94.21 104.98 16.97 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.245 -0.91 . . . . 0.0 110.098 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.467 ' HB2' ' O ' ' A' ' 2' ' ' ARG . 23.7 t-105 176.07 109.24 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.252 -0.905 . . . . 0.0 110.141 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.454 ' HB2' ' O ' ' A' ' 3' ' ' TRP . 37.3 m 59.71 126.75 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.328 -0.857 . . . . 0.0 110.412 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -98.49 147.97 24.21 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.21 -0.932 . . . . 0.0 110.088 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -102.66 135.14 44.85 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.253 -0.904 . . . . 0.0 110.377 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.681 HG12 ' CZ ' ' A' ' 15' ' ' TYR . 75.3 t -129.33 138.37 54.54 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.311 -0.868 . . . . 0.0 110.224 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.463 ' SG ' ' N ' ' A' ' 14' ' ' CYS . 0.9 OUTLIER -139.67 152.38 46.68 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.209 -0.932 . . . . 0.0 110.477 -179.846 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.461 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 1.5 m-30 -110.01 97.55 7.03 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.377 -0.827 . . . . 0.0 110.385 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.476 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 16.3 mmt180 59.5 52.29 5.89 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.359 -0.838 . . . . 0.0 110.762 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.473 ' C ' ' O ' ' A' ' 10' ' ' ARG . . . 34.28 47.96 0.59 Allowed Glycine 0 N--CA 1.496 2.657 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 179.295 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.489 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 8.5 mmt180 -121.71 -11.66 8.59 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.022 -1.281 . . . . 0.0 110.42 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.489 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER 169.75 100.54 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.694 0 O-C-N 121.45 -0.781 . . . . 0.0 110.01 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.463 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 14.6 m -84.26 159.87 20.88 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.455 -0.778 . . . . 0.0 110.183 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.681 ' CZ ' HG12 ' A' ' 7' ' ' VAL . 4.4 p90 -149.73 81.24 1.39 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.325 -0.859 . . . . 0.0 109.819 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -41.94 153.4 0.06 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.469 -0.77 . . . . 0.0 110.21 -179.786 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.8 tptt -146.73 108.16 4.27 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.275 -0.891 . . . . 0.0 110.304 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -110.93 124.46 52.15 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.415 -0.803 . . . . 0.0 110.272 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 . . . . . 0 N--CA 1.491 1.622 0 O-C-N 121.173 -0.955 . . . . 0.0 110.258 179.775 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.5 ttm180 . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 121.243 0.544 . . . . 0.0 110.184 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.87 122.9 35.72 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.193 -0.942 . . . . 0.0 110.143 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.404 ' O ' ' CD1' ' A' ' 3' ' ' TRP . 54.3 t-105 -151.5 83.7 1.3 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.326 -0.859 . . . . 0.0 110.26 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.48 ' C ' ' CG ' ' A' ' 5' ' ' PHE . 29.8 p -159.88 137.9 10.12 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.326 -0.859 . . . . 0.0 110.165 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.48 ' CG ' ' C ' ' A' ' 4' ' ' CYS . 54.0 m-85 -149.21 -143.85 0.14 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.284 -0.885 . . . . 0.0 110.256 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.41 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 6.1 mtt180 -111.18 135.72 51.3 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.198 -0.939 . . . . 0.0 110.4 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.42 HG11 ' OH ' ' A' ' 15' ' ' TYR . 60.8 t -121.87 107.12 19.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.378 -0.826 . . . . 0.0 109.903 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.511 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 20.1 m -88.03 164.12 15.93 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.343 -0.848 . . . . 0.0 110.461 -179.704 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.523 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -107.76 97.01 6.79 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.155 -0.966 . . . . 0.0 110.125 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.448 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 4.6 tpt180 55.73 62.2 2.51 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.219 -0.926 . . . . 0.0 110.153 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 57.22 22.73 44.79 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.877 -1.289 . . . . 0.0 109.877 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.523 ' CG ' ' O ' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -167.43 154.01 8.16 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.061 -1.258 . . . . 0.0 110.435 179.903 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.497 ' O ' ' N ' ' A' ' 9' ' ' TYR . 1.1 m-85 64.23 95.16 0.05 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.406 -0.809 . . . . 0.0 109.942 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.511 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 9.1 m -119.43 149.77 41.31 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.341 -0.849 . . . . 0.0 110.764 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.538 ' N ' ' CD1' ' A' ' 15' ' ' TYR . 14.7 p90 -143.3 82.11 1.73 Allowed 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 120.164 -0.614 . . . . 0.0 109.747 179.705 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 15' ' ' TYR . 14.3 ptt180 -42.27 129.44 3.8 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.401 -0.812 . . . . 0.0 110.266 -179.609 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.42 ' O ' ' HB2' ' A' ' 4' ' ' CYS . 0.3 OUTLIER -120.05 98.04 5.89 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.306 -0.872 . . . . 0.0 110.189 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.6 t -148.26 145.38 28.18 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.465 -0.772 . . . . 0.0 110.185 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 64.1 mtp180 . . . . . 0 N--CA 1.491 1.597 0 O-C-N 121.274 -0.891 . . . . 0.0 110.174 179.943 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.462 ' O ' ' HG2' ' A' ' 2' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.258 0.552 . . . . 0.0 110.241 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.462 ' HG2' ' O ' ' A' ' 1' ' ' ARG . 1.5 mmt180 -151.53 94.61 2.03 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.22 -0.925 . . . . 0.0 110.175 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.442 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 1.7 m95 52.94 84.35 0.06 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.306 -0.871 . . . . 0.0 110.164 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.442 ' SG ' ' O ' ' A' ' 3' ' ' TRP . 98.9 m -150.45 118.46 6.28 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.233 -0.917 . . . . 0.0 110.24 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -120.18 112.81 19.55 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.227 -0.921 . . . . 0.0 110.257 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.484 ' HD3' ' HG2' ' A' ' 16' ' ' ARG . 1.2 mmt180 -75.58 125.55 29.25 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.184 -0.947 . . . . 0.0 110.065 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.45 ' HB ' ' HB2' ' A' ' 15' ' ' TYR . 48.5 t -124.75 114.81 42.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.266 -0.896 . . . . 0.0 110.372 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 62.4 m -122.79 117.65 26.15 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.368 -0.833 . . . . 0.0 110.001 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.471 ' O ' ' HB2' ' A' ' 12' ' ' ARG . 3.7 t80 -94.39 104.49 16.47 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.186 -0.947 . . . . 0.0 110.294 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.491 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 12.3 mmt180 39.63 52.45 2.41 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.428 -0.795 . . . . 0.0 110.579 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 10' ' ' ARG . . . 43.12 26.37 0.51 Allowed Glycine 0 N--CA 1.49 2.269 0 N-CA-C 110.255 -1.138 . . . . 0.0 110.255 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.567 ' O ' ' CD2' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -92.94 -12.22 31.4 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.888 -1.36 . . . . 0.0 109.93 179.57 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.567 ' CD2' ' O ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER 167.06 100.89 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.492 -0.755 . . . . 0.0 110.045 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.466 ' O ' ' CD1' ' A' ' 15' ' ' TYR . 13.6 m -79.63 158.0 27.16 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.34 -0.85 . . . . 0.0 110.21 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.466 ' CD1' ' O ' ' A' ' 14' ' ' CYS . 20.8 m-85 -128.67 81.89 2.05 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.238 -0.914 . . . . 0.0 110.0 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.484 ' HG2' ' HD3' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -67.97 112.05 4.75 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.327 -0.858 . . . . 0.0 110.277 -179.872 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.432 ' O ' ' HB2' ' A' ' 18' ' ' CYS . 0.2 OUTLIER -105.15 98.23 7.97 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.248 -0.908 . . . . 0.0 110.215 179.84 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.432 ' HB2' ' O ' ' A' ' 17' ' ' LYS . 0.5 OUTLIER 176.42 151.93 0.16 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.452 -0.78 . . . . 0.0 110.247 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.62 0 O-C-N 121.362 -0.836 . . . . 0.0 110.137 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.434 ' O ' ' CB ' ' A' ' 2' ' ' ARG . 17.5 ttm180 . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.22 0.534 . . . . 0.0 110.206 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.434 ' CB ' ' O ' ' A' ' 1' ' ' ARG . 0.0 OUTLIER 65.01 148.78 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.225 -0.922 . . . . 0.0 110.275 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 1.2 m95 -165.75 82.65 0.32 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.291 -0.881 . . . . 0.0 110.258 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.454 ' SG ' ' O ' ' A' ' 17' ' ' LYS . 0.1 OUTLIER -178.15 137.17 0.17 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.294 -0.879 . . . . 0.0 110.139 179.906 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.871 ' O ' HG23 ' A' ' 7' ' ' VAL . 94.5 m-85 -150.15 78.26 1.33 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.271 -0.893 . . . . 0.0 110.252 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.8 113.39 1.3 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.214 -0.929 . . . . 0.0 110.114 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.871 HG23 ' O ' ' A' ' 5' ' ' PHE . 21.5 t -116.82 127.29 74.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.272 -0.893 . . . . 0.0 110.267 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.421 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 85.0 m -125.98 125.56 42.9 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.304 -0.872 . . . . 0.0 110.277 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.494 ' O ' ' HB3' ' A' ' 12' ' ' ARG . 54.4 t80 -94.03 86.98 5.17 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.218 -0.926 . . . . 0.0 110.184 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.527 ' CZ ' ' HA ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER 62.22 54.67 2.58 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.416 -0.803 . . . . 0.0 110.449 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 10' ' ' ARG . . . 37.53 33.05 0.11 Allowed Glycine 0 N--CA 1.493 2.476 0 N-CA-C 110.621 -0.992 . . . . 0.0 110.621 179.443 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.541 ' O ' ' CG ' ' A' ' 13' ' ' PHE . 1.8 tpt85 -109.7 -7.01 15.14 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.035 -1.274 . . . . 0.0 109.873 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.541 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER 169.82 100.79 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.379 -0.825 . . . . 0.0 110.261 179.889 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.485 ' HA ' ' O ' ' A' ' 7' ' ' VAL . 53.1 m -82.1 153.66 25.97 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.381 -0.824 . . . . 0.0 110.078 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.446 ' N ' ' O ' ' A' ' 7' ' ' VAL . 21.5 m-85 -126.34 77.76 1.72 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.226 -0.921 . . . . 0.0 109.951 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 28.8 mtt180 -73.97 141.94 45.86 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.4 -0.812 . . . . 0.0 110.018 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.454 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 0.0 OUTLIER -133.48 104.81 6.58 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.152 -0.968 . . . . 0.0 110.315 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -160.58 133.83 6.67 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.434 -0.791 . . . . 0.0 110.018 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 . . . . . 0 N--CA 1.491 1.593 0 O-C-N 121.176 -0.953 . . . . 0.0 110.246 -179.886 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.4 ' C ' ' HG3' ' A' ' 2' ' ' ARG . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.238 0.542 . . . . 0.0 110.184 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.446 ' O ' ' O ' ' A' ' 3' ' ' TRP . 92.0 mtt-85 -141.05 134.94 30.51 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.286 -0.884 . . . . 0.0 110.185 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.446 ' O ' ' O ' ' A' ' 2' ' ' ARG . 3.3 m-90 50.21 99.75 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.247 -0.908 . . . . 0.0 110.152 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 12.8 m -137.21 118.13 14.23 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.266 -0.896 . . . . 0.0 110.136 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -125.06 91.13 3.37 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.295 -0.878 . . . . 0.0 110.161 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.446 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -70.73 134.67 47.65 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.307 -0.871 . . . . 0.0 110.226 -179.922 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.508 ' CG1' ' OH ' ' A' ' 15' ' ' TYR . 78.8 t -134.16 116.26 22.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.362 -0.837 . . . . 0.0 109.886 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.509 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 17.5 m -91.48 166.4 12.88 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.272 -0.893 . . . . 0.0 110.505 -179.619 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.492 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.8 OUTLIER -106.65 96.73 6.65 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.213 -0.93 . . . . 0.0 109.918 179.656 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.466 ' HB2' ' O ' ' A' ' 9' ' ' TYR . 0.0 OUTLIER 56.27 59.55 3.62 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.189 -0.945 . . . . 0.0 109.785 -179.545 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.475 ' O ' ' HG2' ' A' ' 12' ' ' ARG . . . 58.56 18.46 37.68 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.631 -1.388 . . . . 0.0 109.631 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 9' ' ' TYR . 1.1 mtm105 -160.33 153.94 22.44 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.194 -1.18 . . . . 0.0 110.312 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.484 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 1.2 m-85 63.37 95.14 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.295 -0.878 . . . . 0.0 109.859 -179.775 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.509 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 11.2 m -119.06 153.12 35.25 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.42 -0.8 . . . . 0.0 110.672 -179.529 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.572 ' N ' ' CD1' ' A' ' 15' ' ' TYR . 7.7 p90 -142.31 78.54 1.63 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.549 -0.719 . . . . 0.0 109.944 179.726 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.446 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . 0.2 OUTLIER -52.41 174.77 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.46 -0.775 . . . . 0.0 110.309 -179.815 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.439 ' O ' ' SG ' ' A' ' 18' ' ' CYS . 2.6 tptt -155.13 116.37 3.99 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.325 -0.859 . . . . 0.0 110.184 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.439 ' SG ' ' O ' ' A' ' 17' ' ' LYS . 73.2 m -149.64 146.15 27.13 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.147 -0.971 . . . . 0.0 110.369 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.673 0 O-C-N 121.26 -0.9 . . . . 0.0 110.256 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.5 mtp180 . . . . . 0 N--CA 1.492 1.656 0 CA-C-O 121.275 0.559 . . . . 0.0 110.226 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -119.01 97.52 5.73 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.243 -0.911 . . . . 0.0 110.203 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.425 ' O ' ' CB ' ' A' ' 4' ' ' CYS . 0.0 OUTLIER 176.34 93.18 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.236 -0.915 . . . . 0.0 110.316 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.425 ' CB ' ' O ' ' A' ' 3' ' ' TRP . 0.1 OUTLIER 66.14 137.63 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.277 -0.889 . . . . 0.0 110.314 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.534 ' CD1' ' N ' ' A' ' 5' ' ' PHE . 33.2 m-85 -109.97 83.17 1.71 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.31 -0.869 . . . . 0.0 110.113 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 40.4 mtm180 -67.87 111.44 4.34 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.288 -0.882 . . . . 0.0 110.36 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.458 ' O ' ' CD2' ' A' ' 15' ' ' TYR . 60.5 t -125.4 117.31 49.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.337 -0.852 . . . . 0.0 110.042 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 77.3 m -122.0 115.81 23.19 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.271 -0.893 . . . . 0.0 110.433 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.448 ' O ' ' HB2' ' A' ' 12' ' ' ARG . 24.2 t80 -72.98 96.34 2.12 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.28 -0.887 . . . . 0.0 110.027 179.749 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.475 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 45.5 mmt-85 42.25 53.09 4.5 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.304 -0.873 . . . . 0.0 110.252 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 48.73 29.79 8.24 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 110.055 -1.218 . . . . 0.0 110.055 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.544 ' O ' ' CG ' ' A' ' 13' ' ' PHE . 17.5 mmt180 -99.83 -11.04 21.11 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.001 -1.293 . . . . 0.0 110.103 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.573 ' O ' ' CZ ' ' A' ' 15' ' ' TYR . 0.1 OUTLIER 166.03 101.54 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.506 -0.746 . . . . 0.0 109.913 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 36.5 m -73.98 155.07 38.99 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.339 -0.85 . . . . 0.0 110.31 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.573 ' CZ ' ' O ' ' A' ' 13' ' ' PHE . 22.3 m-85 -127.22 80.31 1.94 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.324 -0.86 . . . . 0.0 109.933 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 27.3 mtt180 -69.99 121.78 18.07 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.337 -0.852 . . . . 0.0 110.341 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -120.43 109.21 15.05 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.24 -0.912 . . . . 0.0 110.154 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -155.46 123.98 5.97 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.318 -0.864 . . . . 0.0 110.285 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.667 0 O-C-N 121.259 -0.901 . . . . 0.0 110.133 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.302 0.572 . . . . 0.0 110.178 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.457 ' O ' ' HB2' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -117.12 146.21 43.3 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.217 -0.927 . . . . 0.0 110.213 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.473 ' O ' ' O ' ' A' ' 4' ' ' CYS . 97.7 m95 56.4 104.71 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.325 -0.859 . . . . 0.0 110.2 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.473 ' O ' ' O ' ' A' ' 3' ' ' TRP . 60.3 m 57.27 118.09 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.42 -0.8 . . . . 0.0 110.435 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.763 ' O ' HG23 ' A' ' 7' ' ' VAL . 8.5 m-85 -109.4 88.38 2.72 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.24 -0.912 . . . . 0.0 110.137 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.3 ttp180 -53.32 130.88 36.46 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.237 -0.915 . . . . 0.0 110.214 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 5' ' ' PHE . 44.0 t -131.43 127.68 60.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.274 -0.891 . . . . 0.0 110.173 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 36.0 m -114.01 129.06 56.63 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.314 -0.866 . . . . 0.0 110.315 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.465 ' O ' ' HB2' ' A' ' 12' ' ' ARG . 3.0 t80 -82.38 89.98 6.65 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.245 -0.91 . . . . 0.0 110.065 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.471 ' CB ' ' HD2' ' A' ' 12' ' ' ARG . 9.8 mmt180 58.03 54.59 5.85 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.364 -0.835 . . . . 0.0 110.325 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 10' ' ' ARG . . . 39.14 47.74 2.64 Favored Glycine 0 N--CA 1.493 2.447 0 N-CA-C 110.364 -1.094 . . . . 0.0 110.364 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.517 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 18.0 mtt180 -119.58 -16.43 8.86 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.051 -1.264 . . . . 0.0 110.378 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.517 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER 166.38 101.92 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.48 -0.763 . . . . 0.0 110.163 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 60.1 m -73.43 143.87 46.54 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.374 -0.829 . . . . 0.0 110.157 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.479 ' CD1' ' N ' ' A' ' 15' ' ' TYR . 12.5 p90 -133.68 79.18 1.81 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.234 -0.916 . . . . 0.0 109.821 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -45.09 166.67 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.418 -0.801 . . . . 0.0 110.288 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.02 105.93 4.34 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.188 -0.945 . . . . 0.0 110.187 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.4 m -141.2 147.27 38.08 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.362 -0.836 . . . . 0.0 110.104 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.636 0 O-C-N 121.211 -0.931 . . . . 0.0 110.265 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.154 0.502 . . . . 0.0 110.11 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.5 mtm180 -159.72 115.38 2.45 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.35 -0.844 . . . . 0.0 110.312 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.547 ' HA ' ' CE3' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -125.42 83.32 2.15 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.197 -0.939 . . . . 0.0 110.236 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.445 ' HA ' ' HB3' ' A' ' 18' ' ' CYS . 13.0 t -98.47 141.88 30.78 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.281 -0.887 . . . . 0.0 110.306 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -113.18 87.14 2.53 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.443 -0.786 . . . . 0.0 110.136 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.443 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 0.1 OUTLIER -65.19 136.66 56.91 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.356 -0.84 . . . . 0.0 110.36 -179.855 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 98.8 t -134.1 111.49 15.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.348 -0.845 . . . . 0.0 109.932 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.506 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 23.9 m -87.4 167.8 13.7 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.259 -0.901 . . . . 0.0 110.476 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.514 ' CB ' ' HB2' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -110.24 96.36 6.17 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.146 -0.971 . . . . 0.0 110.146 179.781 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.453 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 15.3 ttm-85 57.44 59.4 3.33 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.177 -0.952 . . . . 0.0 109.946 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.516 ' O ' ' CG ' ' A' ' 12' ' ' ARG . . . 56.31 23.28 40.57 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.678 -1.369 . . . . 0.0 109.678 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.516 ' CG ' ' O ' ' A' ' 11' ' ' GLY . 16.7 mtt85 -164.91 144.95 7.2 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.115 -1.227 . . . . 0.0 110.655 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.514 ' HB2' ' CB ' ' A' ' 9' ' ' TYR . 4.8 m-85 69.57 95.34 0.07 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.337 -0.852 . . . . 0.0 110.128 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.506 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 8.0 m -118.76 153.85 33.76 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.414 -0.803 . . . . 0.0 110.525 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.556 ' CG ' ' O ' ' A' ' 15' ' ' TYR . 7.2 p90 -145.07 82.29 1.66 Allowed 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 119.939 -0.704 . . . . 0.0 110.047 179.766 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.443 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . 2.1 ptt180 -43.37 152.28 0.14 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.314 -0.866 . . . . 0.0 110.224 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.8 97.2 3.98 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.224 -0.923 . . . . 0.0 110.178 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.445 ' HB3' ' HA ' ' A' ' 4' ' ' CYS . 7.5 p -174.76 130.54 0.33 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.453 -0.779 . . . . 0.0 110.23 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.6 mmt85 . . . . . 0 N--CA 1.492 1.629 0 O-C-N 121.292 -0.88 . . . . 0.0 110.148 179.969 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.283 0.563 . . . . 0.0 110.261 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -55.87 149.64 14.56 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.21 -0.931 . . . . 0.0 110.245 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -145.91 91.57 2.1 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.343 -0.848 . . . . 0.0 110.191 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 50.9 m -49.87 123.25 7.71 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.272 -0.893 . . . . 0.0 110.326 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.488 ' O ' ' NH2' ' A' ' 16' ' ' ARG . 23.9 m-85 -65.99 -174.52 0.25 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.293 -0.879 . . . . 0.0 110.088 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.456 ' HG3' ' O ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -161.72 117.08 2.02 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.277 -0.889 . . . . 0.0 110.315 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.478 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 5.5 t -134.66 120.98 33.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.246 -0.908 . . . . 0.0 110.09 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.51 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -119.67 160.85 21.73 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.268 -0.895 . . . . 0.0 110.481 -179.882 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.522 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.8 OUTLIER -100.38 107.21 18.91 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.367 -0.833 . . . . 0.0 110.197 -179.919 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 58.5 mmt-85 50.35 60.42 3.85 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.24 -0.913 . . . . 0.0 109.701 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 54.28 24.98 31.63 Favored Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.256 -1.538 . . . . 0.0 109.256 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.522 ' O ' ' N ' ' A' ' 9' ' ' TYR . 0.5 OUTLIER -157.66 146.31 19.37 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.273 -1.134 . . . . 0.0 110.4 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.519 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 3.3 m-85 69.74 94.71 0.07 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.477 -0.765 . . . . 0.0 110.151 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.51 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 0.7 OUTLIER -104.5 152.64 22.13 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.38 -0.825 . . . . 0.0 110.41 -179.82 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -116.42 75.67 0.97 Allowed 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.433 -0.792 . . . . 0.0 109.515 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.488 ' NH2' ' O ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -67.32 149.26 50.57 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.515 -0.74 . . . . 0.0 110.393 -179.447 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.454 ' O ' ' HB3' ' A' ' 18' ' ' CYS . 3.2 tttm -172.77 100.1 0.14 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.249 -0.907 . . . . 0.0 110.336 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.454 ' HB3' ' O ' ' A' ' 17' ' ' LYS . 19.3 p -178.17 139.19 0.2 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.447 -0.783 . . . . 0.0 110.228 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.584 0 O-C-N 121.139 -0.975 . . . . 0.0 110.269 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.3 tpp85 . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 121.208 0.528 . . . . 0.0 110.182 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.488 ' CG ' ' CZ ' ' A' ' 5' ' ' PHE . 0.1 OUTLIER 62.17 96.64 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.246 -0.909 . . . . 0.0 110.108 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.461 ' O ' ' O ' ' A' ' 4' ' ' CYS . 4.0 m-90 -119.8 77.09 1.2 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.27 -0.894 . . . . 0.0 110.24 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.461 ' O ' ' O ' ' A' ' 3' ' ' TRP . 22.4 m 55.57 112.94 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.445 -0.785 . . . . 0.0 110.458 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.488 ' CZ ' ' CG ' ' A' ' 2' ' ' ARG . 28.4 m-85 -76.06 173.01 11.82 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.311 -0.868 . . . . 0.0 110.108 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.14 127.49 4.52 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.238 -0.914 . . . . 0.0 110.253 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 45.7 t -132.6 130.67 59.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.294 -0.879 . . . . 0.0 110.272 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 5.9 m -131.28 118.91 21.03 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.344 -0.847 . . . . 0.0 110.237 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.457 ' O ' ' HB2' ' A' ' 12' ' ' ARG . 15.7 t80 -83.21 92.41 7.46 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.358 -0.839 . . . . 0.0 110.619 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.519 ' HB3' ' CD ' ' A' ' 12' ' ' ARG . 42.4 tpt85 39.29 59.81 1.65 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.431 -0.793 . . . . 0.0 111.063 179.543 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 10' ' ' ARG . . . 41.59 37.43 1.88 Allowed Glycine 0 N--CA 1.492 2.394 0 N-CA-C 110.489 -1.045 . . . . 0.0 110.489 179.402 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.519 ' CD ' ' HB3' ' A' ' 10' ' ' ARG . 1.2 mtp180 -126.73 1.41 6.75 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.149 -1.206 . . . . 0.0 109.892 179.4 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.471 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER 169.72 100.09 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.509 -0.744 . . . . 0.0 109.883 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 48.1 m -100.43 154.15 18.76 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.402 -0.811 . . . . 0.0 110.258 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -129.32 81.08 2.0 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.316 -0.865 . . . . 0.0 110.152 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.15 154.51 9.96 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.287 -0.883 . . . . 0.0 110.326 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -166.01 93.72 0.54 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.304 -0.873 . . . . 0.0 110.064 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.448 ' O ' ' HG2' ' A' ' 19' ' ' ARG . 49.5 t -133.69 124.53 26.88 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.566 -0.709 . . . . 0.0 110.19 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.448 ' HG2' ' O ' ' A' ' 18' ' ' CYS . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.6 0 O-C-N 121.277 -0.89 . . . . 0.0 110.192 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.265 0.555 . . . . 0.0 110.247 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 36.7 mtp85 -137.01 127.79 27.25 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.183 -0.948 . . . . 0.0 110.225 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.426 ' O ' ' CB ' ' A' ' 4' ' ' CYS . 45.7 m95 53.77 99.45 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.27 -0.894 . . . . 0.0 110.17 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.426 ' CB ' ' O ' ' A' ' 3' ' ' TRP . 0.5 OUTLIER 64.03 137.9 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.33 -0.856 . . . . 0.0 110.194 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -111.57 138.76 47.69 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.364 -0.835 . . . . 0.0 110.173 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.431 ' HB3' ' HA ' ' A' ' 16' ' ' ARG . 4.6 ptt-85 -136.99 132.23 34.03 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.243 -0.911 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.404 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 7.2 t -86.58 114.33 25.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.34 -0.85 . . . . 0.0 110.316 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.528 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 20.3 m -95.31 156.65 16.23 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.266 -0.896 . . . . 0.0 110.071 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.522 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -106.84 95.86 6.03 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.109 -0.994 . . . . 0.0 110.156 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.3 tpp85 52.24 63.78 2.11 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.348 -0.845 . . . . 0.0 110.108 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.434 ' O ' ' CG ' ' A' ' 12' ' ' ARG . . . 55.53 21.26 27.22 Favored Glycine 0 N--CA 1.489 2.232 0 N-CA-C 109.404 -1.479 . . . . 0.0 109.404 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.522 ' O ' ' CB ' ' A' ' 9' ' ' TYR . 76.6 mtt-85 -156.96 148.33 22.2 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.291 -1.123 . . . . 0.0 110.329 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.522 ' CB ' ' HB2' ' A' ' 9' ' ' TYR . 0.2 OUTLIER 64.98 95.28 0.05 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.39 -0.819 . . . . 0.0 110.05 -179.883 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.528 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 84.6 m -118.63 148.98 42.15 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.523 -0.736 . . . . 0.0 110.605 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -127.55 82.15 2.07 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.47 -0.769 . . . . 0.0 110.036 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.431 ' HA ' ' HB3' ' A' ' 6' ' ' ARG . 0.6 OUTLIER -59.13 161.86 4.9 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.178 -0.951 . . . . 0.0 110.102 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -172.08 108.84 0.23 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.251 -0.906 . . . . 0.0 110.22 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -114.28 119.83 38.33 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.371 -0.83 . . . . 0.0 110.254 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.586 0 O-C-N 121.275 -0.891 . . . . 0.0 110.189 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.225 0.536 . . . . 0.0 110.177 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 -111.11 133.36 53.53 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.26 -0.9 . . . . 0.0 110.182 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.476 ' O ' ' O ' ' A' ' 4' ' ' CYS . 0.0 OUTLIER -148.95 82.6 1.44 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.196 -0.94 . . . . 0.0 110.271 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.486 ' HA ' ' CB ' ' A' ' 18' ' ' CYS . 4.1 m 58.73 142.64 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.471 -0.768 . . . . 0.0 110.445 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -124.73 123.31 39.72 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.303 -0.873 . . . . 0.0 110.279 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.422 ' HG3' ' HG3' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -89.05 136.58 32.94 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.28 -0.888 . . . . 0.0 110.106 179.886 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.404 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 24.2 t -136.86 135.93 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.276 -0.89 . . . . 0.0 110.368 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 21.8 m -124.51 132.43 53.47 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.376 -0.827 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.482 ' O ' ' HB2' ' A' ' 12' ' ' ARG . 1.6 t80 -82.4 85.73 6.85 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.258 -0.901 . . . . 0.0 110.099 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 11' ' ' GLY . 0.1 OUTLIER 61.5 55.87 2.71 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.418 -0.801 . . . . 0.0 110.322 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 10' ' ' ARG . . . 38.88 47.86 2.46 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 110.306 -1.117 . . . . 0.0 110.306 179.568 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.5 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 9.0 mmt180 -119.28 -18.03 8.71 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.082 -1.246 . . . . 0.0 110.164 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.5 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER 167.19 101.93 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.519 -0.738 . . . . 0.0 110.18 179.858 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 63.2 m -71.99 148.92 45.47 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.363 -0.836 . . . . 0.0 110.193 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.497 ' N ' ' CD1' ' A' ' 15' ' ' TYR . 5.9 p90 -138.98 81.94 1.87 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.406 -0.809 . . . . 0.0 109.788 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 15' ' ' TYR . 7.9 mtm105 -41.56 161.47 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.363 -0.835 . . . . 0.0 110.265 -179.735 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.18 109.22 1.52 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.222 -0.924 . . . . 0.0 110.306 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.486 ' CB ' ' HA ' ' A' ' 4' ' ' CYS . 7.2 p -179.52 129.1 0.1 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.368 -0.832 . . . . 0.0 110.309 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.631 0 O-C-N 121.272 -0.893 . . . . 0.0 110.183 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.42 ' O ' ' CG ' ' A' ' 1' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 121.256 0.55 . . . . 0.0 110.198 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -148.03 104.8 3.59 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.27 -0.894 . . . . 0.0 110.237 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.477 ' O ' ' HB2' ' A' ' 4' ' ' CYS . 2.7 t-105 -146.69 81.56 1.56 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.236 -0.915 . . . . 0.0 110.187 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.477 ' HB2' ' O ' ' A' ' 3' ' ' TRP . 1.9 m 59.03 131.1 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.379 -0.826 . . . . 0.0 110.47 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -123.56 -176.39 3.44 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.177 -0.952 . . . . 0.0 110.243 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.494 ' CG ' ' O ' ' A' ' 6' ' ' ARG . 6.8 ptt85 -167.52 114.05 0.74 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.195 -0.94 . . . . 0.0 110.308 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.1 t -102.26 137.02 31.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.36 -0.837 . . . . 0.0 110.205 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 12.7 m -117.37 123.66 47.02 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.264 -0.897 . . . . 0.0 110.365 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.486 ' O ' ' HB3' ' A' ' 12' ' ' ARG . 1.7 t80 -95.43 100.32 12.1 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.349 -0.845 . . . . 0.0 110.166 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' A' ' 11' ' ' GLY . 35.1 ttt180 39.79 55.01 2.53 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.304 -0.872 . . . . 0.0 110.748 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 10' ' ' ARG . . . 37.95 32.78 0.13 Allowed Glycine 0 N--CA 1.493 2.463 0 N-CA-C 110.488 -1.045 . . . . 0.0 110.488 179.534 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.516 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 0.5 OUTLIER -108.38 -8.65 15.57 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.053 -1.263 . . . . 0.0 109.728 179.711 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.516 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER 166.89 101.55 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.578 -0.702 . . . . 0.0 109.802 179.902 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 86.0 m -87.5 162.79 17.04 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.334 -0.854 . . . . 0.0 110.31 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -129.19 82.77 2.1 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.343 -0.848 . . . . 0.0 110.03 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.75 132.03 39.05 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.315 -0.866 . . . . 0.0 110.191 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.45 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 9.8 mmtt -110.48 103.2 11.79 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.179 -0.951 . . . . 0.0 110.082 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 178.05 134.23 0.07 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.417 -0.802 . . . . 0.0 110.188 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.5 mtm180 . . . . . 0 N--CA 1.491 1.589 0 O-C-N 121.169 -0.957 . . . . 0.0 110.185 179.946 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.573 0 CA-C-O 121.217 0.532 . . . . 0.0 110.214 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.86 114.12 25.1 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.295 -0.878 . . . . 0.0 110.157 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.408 ' O ' ' O ' ' A' ' 4' ' ' CYS . 0.0 OUTLIER -173.76 92.98 0.09 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.242 -0.911 . . . . 0.0 110.133 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.408 ' O ' ' O ' ' A' ' 3' ' ' TRP . 0.0 OUTLIER 62.55 133.15 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.295 -0.878 . . . . 0.0 110.092 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.734 ' O ' HG23 ' A' ' 7' ' ' VAL . 19.7 m-85 -114.68 84.66 2.1 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.33 -0.856 . . . . 0.0 110.114 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.46 ' HG2' ' CD ' ' A' ' 16' ' ' ARG . 24.8 mtt180 -58.68 128.83 39.16 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.299 -0.876 . . . . 0.0 110.413 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.734 HG23 ' O ' ' A' ' 5' ' ' PHE . 5.6 t -133.26 131.09 58.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.335 -0.853 . . . . 0.0 109.862 179.677 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.512 ' SG ' ' N ' ' A' ' 14' ' ' CYS . 1.4 t -130.03 143.93 51.06 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.249 -0.907 . . . . 0.0 110.443 -179.725 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.471 ' O ' ' HB2' ' A' ' 12' ' ' ARG . 8.0 t80 -96.34 92.48 6.35 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.4 -0.813 . . . . 0.0 110.292 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.486 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.1 OUTLIER 60.37 52.27 4.89 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.27 -0.894 . . . . 0.0 110.496 179.881 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 10' ' ' ARG . . . 38.11 38.57 0.58 Allowed Glycine 0 N--CA 1.494 2.52 0 N-CA-C 110.427 -1.069 . . . . 0.0 110.427 179.492 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.582 ' O ' ' CG ' ' A' ' 13' ' ' PHE . 0.4 OUTLIER -111.74 -11.02 14.02 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.127 -1.219 . . . . 0.0 110.283 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.582 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER 169.86 100.57 0.01 OUTLIER 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.544 -0.723 . . . . 0.0 110.054 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.512 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 11.0 m -85.08 150.3 24.96 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.378 -0.827 . . . . 0.0 110.212 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.623 ' N ' ' CD1' ' A' ' 15' ' ' TYR . 2.6 p90 -141.04 78.31 1.64 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.266 -0.897 . . . . 0.0 109.962 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.46 ' CD ' ' HG2' ' A' ' 6' ' ' ARG . 24.5 mtm180 -45.49 167.12 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.481 -0.762 . . . . 0.0 110.212 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -142.82 110.21 5.72 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.27 -0.894 . . . . 0.0 110.186 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -140.43 141.14 35.53 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.397 -0.814 . . . . 0.0 110.094 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.49 1.554 0 O-C-N 121.243 -0.911 . . . . 0.0 110.23 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.469 ' O ' ' CB ' ' A' ' 2' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.226 0.536 . . . . 0.0 110.115 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.469 ' CB ' ' O ' ' A' ' 1' ' ' ARG . 0.0 OUTLIER 66.37 129.11 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.282 -0.886 . . . . 0.0 110.224 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.456 ' O ' ' O ' ' A' ' 2' ' ' ARG . 62.4 m95 44.14 94.32 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.239 -0.913 . . . . 0.0 110.154 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.409 ' HB3' ' HB2' ' A' ' 18' ' ' CYS . 66.0 m -43.68 122.78 2.86 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.293 -0.879 . . . . 0.0 110.329 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -89.47 175.53 7.27 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.234 -0.916 . . . . 0.0 110.041 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.58 129.08 1.85 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.149 -0.969 . . . . 0.0 110.411 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.574 ' O ' ' CD2' ' A' ' 15' ' ' TYR . 21.9 t -113.74 127.14 71.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.31 -0.869 . . . . 0.0 110.191 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 5.2 t -135.59 145.89 47.38 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.304 -0.872 . . . . 0.0 110.29 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.461 ' O ' ' HB2' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -110.75 94.8 5.18 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.413 -0.804 . . . . 0.0 110.562 -179.924 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.494 ' O ' ' N ' ' A' ' 12' ' ' ARG . 7.9 tpp180 60.54 53.33 4.17 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.294 -0.879 . . . . 0.0 110.677 179.636 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 10' ' ' ARG . . . 37.67 28.75 0.04 OUTLIER Glycine 0 N--CA 1.494 2.533 0 N-CA-C 110.583 -1.007 . . . . 0.0 110.583 179.335 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.573 ' O ' ' CG ' ' A' ' 13' ' ' PHE . 0.2 OUTLIER -96.45 -12.82 23.69 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.053 -1.263 . . . . 0.0 110.073 179.693 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.573 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER 168.25 98.16 0.0 OUTLIER 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.692 -0.63 . . . . 0.0 109.781 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 23.6 m -83.34 163.99 20.29 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.381 -0.824 . . . . 0.0 110.321 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.574 ' CD2' ' O ' ' A' ' 7' ' ' VAL . 19.5 m-85 -128.66 81.85 2.05 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.235 -0.915 . . . . 0.0 110.035 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.64 141.26 44.19 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.282 -0.886 . . . . 0.0 110.256 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.6 tptp -147.56 103.9 3.57 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.265 -0.897 . . . . 0.0 110.161 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.409 ' HB2' ' HB3' ' A' ' 4' ' ' CYS . 35.4 t -160.29 100.29 1.35 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.408 -0.807 . . . . 0.0 110.163 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.571 0 O-C-N 121.304 -0.872 . . . . 0.0 110.245 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 18.0 t . . . . . 0 N--CA 1.493 1.685 0 CA-C-O 121.432 0.634 . . . . 0.0 110.229 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -127.36 126.75 43.08 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.389 -0.82 . . . . 0.0 110.143 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.457 ' CB ' ' HA ' ' A' ' 16' ' ' ARG . 5.6 ptt85 -116.24 131.36 56.97 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.266 -0.896 . . . . 0.0 110.28 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.484 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 91.1 t -91.59 122.48 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.307 -0.87 . . . . 0.0 110.127 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.523 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 1.2 m -96.31 163.58 13.02 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.18 -0.95 . . . . 0.0 110.233 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.529 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 2.4 t80 -112.6 96.1 5.8 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.176 -0.953 . . . . 0.0 110.401 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.422 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 0.6 OUTLIER 55.65 61.93 2.63 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.238 -0.914 . . . . 0.0 110.285 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 58.32 17.37 31.55 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.851 -1.3 . . . . 0.0 109.851 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.529 ' CG ' ' O ' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -161.0 153.25 20.21 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.139 -1.212 . . . . 0.0 110.504 179.88 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.522 ' HB3' ' HB2' ' A' ' 9' ' ' TYR . 0.3 OUTLIER 67.33 96.22 0.06 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.427 -0.796 . . . . 0.0 109.767 -179.575 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.523 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 0.1 OUTLIER -119.63 154.71 33.58 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.513 -0.742 . . . . 0.0 110.936 -179.644 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.414 ' O ' ' C ' ' A' ' 16' ' ' ARG . 18.0 m-85 -122.84 76.5 1.36 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.663 -0.648 . . . . 0.0 109.601 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.457 ' HA ' ' CB ' ' A' ' 6' ' ' ARG . 2.6 mtt180 -42.96 153.11 0.09 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.434 -0.791 . . . . 0.0 110.298 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.4 tttp . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.23 -0.919 . . . . 0.0 110.131 179.934 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 37.3 m . . . . . 0 N--CA 1.493 1.719 0 CA-C-O 121.3 0.571 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -98.49 147.97 24.21 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.21 -0.932 . . . . 0.0 110.088 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -102.66 135.14 44.85 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.253 -0.904 . . . . 0.0 110.377 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.681 HG12 ' CZ ' ' A' ' 15' ' ' TYR . 75.3 t -129.33 138.37 54.54 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.311 -0.868 . . . . 0.0 110.224 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.463 ' SG ' ' N ' ' A' ' 14' ' ' CYS . 0.9 OUTLIER -139.67 152.38 46.68 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.209 -0.932 . . . . 0.0 110.477 -179.846 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.461 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 1.5 m-30 -110.01 97.55 7.03 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.377 -0.827 . . . . 0.0 110.385 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.476 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 16.3 mmt180 59.5 52.29 5.89 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.359 -0.838 . . . . 0.0 110.762 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.473 ' C ' ' O ' ' A' ' 10' ' ' ARG . . . 34.28 47.96 0.59 Allowed Glycine 0 N--CA 1.496 2.657 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 179.295 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.489 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 8.5 mmt180 -121.71 -11.66 8.59 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.022 -1.281 . . . . 0.0 110.42 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.489 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER 169.75 100.54 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.694 0 O-C-N 121.45 -0.781 . . . . 0.0 110.01 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.463 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 14.6 m -84.26 159.87 20.88 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.455 -0.778 . . . . 0.0 110.183 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.681 ' CZ ' HG12 ' A' ' 7' ' ' VAL . 4.4 p90 -149.73 81.24 1.39 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.325 -0.859 . . . . 0.0 109.819 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -41.94 153.4 0.06 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.469 -0.77 . . . . 0.0 110.21 -179.786 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.8 tptt . . . . . 0 N--CA 1.491 1.622 0 O-C-N 121.275 -0.891 . . . . 0.0 110.304 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.48 ' C ' ' CG ' ' A' ' 5' ' ' PHE . 29.8 p . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.379 0.609 . . . . 0.0 110.165 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.48 ' CG ' ' C ' ' A' ' 4' ' ' CYS . 54.0 m-85 -149.21 -143.85 0.14 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.284 -0.885 . . . . 0.0 110.256 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.41 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 6.1 mtt180 -111.18 135.72 51.3 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.198 -0.939 . . . . 0.0 110.4 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.42 HG11 ' OH ' ' A' ' 15' ' ' TYR . 60.8 t -121.87 107.12 19.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.378 -0.826 . . . . 0.0 109.903 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.511 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 20.1 m -88.03 164.12 15.93 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.343 -0.848 . . . . 0.0 110.461 -179.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.523 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -107.76 97.01 6.79 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.155 -0.966 . . . . 0.0 110.125 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.448 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 4.6 tpt180 55.73 62.2 2.51 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.219 -0.926 . . . . 0.0 110.153 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 57.22 22.73 44.79 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.877 -1.289 . . . . 0.0 109.877 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.523 ' CG ' ' O ' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -167.43 154.01 8.16 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.061 -1.258 . . . . 0.0 110.435 179.903 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.497 ' O ' ' N ' ' A' ' 9' ' ' TYR . 1.1 m-85 64.23 95.16 0.05 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.406 -0.809 . . . . 0.0 109.942 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.511 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 9.1 m -119.43 149.77 41.31 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.341 -0.849 . . . . 0.0 110.764 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.538 ' N ' ' CD1' ' A' ' 15' ' ' TYR . 14.7 p90 -143.3 82.11 1.73 Allowed 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 120.164 -0.614 . . . . 0.0 109.747 179.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 15' ' ' TYR . 14.3 ptt180 -42.27 129.44 3.8 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.401 -0.812 . . . . 0.0 110.266 -179.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.42 ' O ' ' HB2' ' A' ' 4' ' ' CYS . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.53 0 O-C-N 121.306 -0.872 . . . . 0.0 110.189 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 98.9 m . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 121.287 0.565 . . . . 0.0 110.24 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -120.18 112.81 19.55 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.227 -0.921 . . . . 0.0 110.257 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.484 ' HD3' ' HG2' ' A' ' 16' ' ' ARG . 1.2 mmt180 -75.58 125.55 29.25 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.184 -0.947 . . . . 0.0 110.065 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.45 ' HB ' ' HB2' ' A' ' 15' ' ' TYR . 48.5 t -124.75 114.81 42.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.266 -0.896 . . . . 0.0 110.372 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 62.4 m -122.79 117.65 26.15 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.368 -0.833 . . . . 0.0 110.001 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.471 ' O ' ' HB2' ' A' ' 12' ' ' ARG . 3.7 t80 -94.39 104.49 16.47 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.186 -0.947 . . . . 0.0 110.294 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.491 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 12.3 mmt180 39.63 52.45 2.41 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.428 -0.795 . . . . 0.0 110.579 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 10' ' ' ARG . . . 43.12 26.37 0.51 Allowed Glycine 0 N--CA 1.49 2.269 0 N-CA-C 110.255 -1.138 . . . . 0.0 110.255 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.567 ' O ' ' CD2' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -92.94 -12.22 31.4 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.888 -1.36 . . . . 0.0 109.93 179.57 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.567 ' CD2' ' O ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER 167.06 100.89 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.492 -0.755 . . . . 0.0 110.045 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.466 ' O ' ' CD1' ' A' ' 15' ' ' TYR . 13.6 m -79.63 158.0 27.16 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.34 -0.85 . . . . 0.0 110.21 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.466 ' CD1' ' O ' ' A' ' 14' ' ' CYS . 20.8 m-85 -128.67 81.89 2.05 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.238 -0.914 . . . . 0.0 110.0 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.484 ' HG2' ' HD3' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -67.97 112.05 4.75 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.327 -0.858 . . . . 0.0 110.277 -179.872 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.644 0 O-C-N 121.248 -0.908 . . . . 0.0 110.215 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.452 ' SG ' ' O ' ' A' ' 17' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.673 0 CA-C-O 121.44 0.638 . . . . 0.0 110.139 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.871 ' O ' HG23 ' A' ' 7' ' ' VAL . 94.5 m-85 -150.15 78.26 1.33 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.271 -0.893 . . . . 0.0 110.252 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.8 113.39 1.3 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.214 -0.929 . . . . 0.0 110.114 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.871 HG23 ' O ' ' A' ' 5' ' ' PHE . 21.5 t -116.82 127.29 74.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.272 -0.893 . . . . 0.0 110.267 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.421 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 85.0 m -125.98 125.56 42.9 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.304 -0.872 . . . . 0.0 110.277 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.494 ' O ' ' HB3' ' A' ' 12' ' ' ARG . 54.4 t80 -94.03 86.98 5.17 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.218 -0.926 . . . . 0.0 110.184 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.527 ' CZ ' ' HA ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER 62.22 54.67 2.58 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.416 -0.803 . . . . 0.0 110.449 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 10' ' ' ARG . . . 37.53 33.05 0.11 Allowed Glycine 0 N--CA 1.493 2.476 0 N-CA-C 110.621 -0.992 . . . . 0.0 110.621 179.443 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.541 ' O ' ' CG ' ' A' ' 13' ' ' PHE . 1.8 tpt85 -109.7 -7.01 15.14 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.035 -1.274 . . . . 0.0 109.873 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.541 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER 169.82 100.79 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.379 -0.825 . . . . 0.0 110.261 179.889 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.485 ' HA ' ' O ' ' A' ' 7' ' ' VAL . 53.1 m -82.1 153.66 25.97 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.381 -0.824 . . . . 0.0 110.078 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.446 ' N ' ' O ' ' A' ' 7' ' ' VAL . 21.5 m-85 -126.34 77.76 1.72 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.226 -0.921 . . . . 0.0 109.951 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 28.8 mtt180 -73.97 141.94 45.86 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.4 -0.812 . . . . 0.0 110.018 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.452 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.665 0 O-C-N 121.152 -0.968 . . . . 0.0 110.315 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 12.8 m . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 121.261 0.553 . . . . 0.0 110.136 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -125.06 91.13 3.37 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.295 -0.878 . . . . 0.0 110.161 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.446 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -70.73 134.67 47.65 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.307 -0.871 . . . . 0.0 110.226 -179.922 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.508 ' CG1' ' OH ' ' A' ' 15' ' ' TYR . 78.8 t -134.16 116.26 22.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.362 -0.837 . . . . 0.0 109.886 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.509 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 17.5 m -91.48 166.4 12.88 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.272 -0.893 . . . . 0.0 110.505 -179.619 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.492 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.8 OUTLIER -106.65 96.73 6.65 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.213 -0.93 . . . . 0.0 109.918 179.656 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.466 ' HB2' ' O ' ' A' ' 9' ' ' TYR . 0.0 OUTLIER 56.27 59.55 3.62 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.189 -0.945 . . . . 0.0 109.785 -179.545 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.475 ' O ' ' HG2' ' A' ' 12' ' ' ARG . . . 58.56 18.46 37.68 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.631 -1.388 . . . . 0.0 109.631 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 9' ' ' TYR . 1.1 mtm105 -160.33 153.94 22.44 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.194 -1.18 . . . . 0.0 110.312 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.484 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 1.2 m-85 63.37 95.14 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.295 -0.878 . . . . 0.0 109.859 -179.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.509 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 11.2 m -119.06 153.12 35.25 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.42 -0.8 . . . . 0.0 110.672 -179.529 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.572 ' N ' ' CD1' ' A' ' 15' ' ' TYR . 7.7 p90 -142.31 78.54 1.63 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.549 -0.719 . . . . 0.0 109.944 179.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.446 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . 0.2 OUTLIER -52.41 174.77 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.46 -0.775 . . . . 0.0 110.309 -179.815 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.6 tptt . . . . . 0 N--CA 1.491 1.609 0 O-C-N 121.325 -0.859 . . . . 0.0 110.184 179.882 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.751 0 CA-C-O 121.475 0.655 . . . . 0.0 110.314 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.534 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 33.2 m-85 -109.97 83.17 1.71 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.31 -0.869 . . . . 0.0 110.113 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 40.4 mtm180 -67.87 111.44 4.34 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.288 -0.882 . . . . 0.0 110.36 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.458 ' O ' ' CD2' ' A' ' 15' ' ' TYR . 60.5 t -125.4 117.31 49.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.337 -0.852 . . . . 0.0 110.042 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 77.3 m -122.0 115.81 23.19 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.271 -0.893 . . . . 0.0 110.433 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.448 ' O ' ' HB2' ' A' ' 12' ' ' ARG . 24.2 t80 -72.98 96.34 2.12 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.28 -0.887 . . . . 0.0 110.027 179.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.475 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 45.5 mmt-85 42.25 53.09 4.5 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.304 -0.873 . . . . 0.0 110.252 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 48.73 29.79 8.24 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 110.055 -1.218 . . . . 0.0 110.055 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.544 ' O ' ' CG ' ' A' ' 13' ' ' PHE . 17.5 mmt180 -99.83 -11.04 21.11 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.001 -1.293 . . . . 0.0 110.103 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.573 ' O ' ' CZ ' ' A' ' 15' ' ' TYR . 0.1 OUTLIER 166.03 101.54 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.506 -0.746 . . . . 0.0 109.913 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 36.5 m -73.98 155.07 38.99 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.339 -0.85 . . . . 0.0 110.31 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.573 ' CZ ' ' O ' ' A' ' 13' ' ' PHE . 22.3 m-85 -127.22 80.31 1.94 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.324 -0.86 . . . . 0.0 109.933 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 27.3 mtt180 -69.99 121.78 18.07 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.337 -0.852 . . . . 0.0 110.341 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt . . . . . 0 N--CA 1.49 1.535 0 O-C-N 121.24 -0.912 . . . . 0.0 110.154 179.825 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 60.3 m . . . . . 0 N--CA 1.495 1.824 0 CA-C-O 121.397 0.617 . . . . 0.0 110.435 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.763 ' O ' HG23 ' A' ' 7' ' ' VAL . 8.5 m-85 -109.4 88.38 2.72 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.24 -0.912 . . . . 0.0 110.137 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.3 ttp180 -53.32 130.88 36.46 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.237 -0.915 . . . . 0.0 110.214 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 5' ' ' PHE . 44.0 t -131.43 127.68 60.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.274 -0.891 . . . . 0.0 110.173 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 36.0 m -114.01 129.06 56.63 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.314 -0.866 . . . . 0.0 110.315 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.465 ' O ' ' HB2' ' A' ' 12' ' ' ARG . 3.0 t80 -82.38 89.98 6.65 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.245 -0.91 . . . . 0.0 110.065 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.471 ' CB ' ' HD2' ' A' ' 12' ' ' ARG . 9.8 mmt180 58.03 54.59 5.85 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.364 -0.835 . . . . 0.0 110.325 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 10' ' ' ARG . . . 39.14 47.74 2.64 Favored Glycine 0 N--CA 1.493 2.447 0 N-CA-C 110.364 -1.094 . . . . 0.0 110.364 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.517 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 18.0 mtt180 -119.58 -16.43 8.86 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.051 -1.264 . . . . 0.0 110.378 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.517 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER 166.38 101.92 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.48 -0.763 . . . . 0.0 110.163 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 60.1 m -73.43 143.87 46.54 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.374 -0.829 . . . . 0.0 110.157 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.479 ' CD1' ' N ' ' A' ' 15' ' ' TYR . 12.5 p90 -133.68 79.18 1.81 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.234 -0.916 . . . . 0.0 109.821 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -45.09 166.67 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.418 -0.801 . . . . 0.0 110.288 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.635 0 O-C-N 121.188 -0.945 . . . . 0.0 110.187 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 13.0 t . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.424 0.63 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -113.18 87.14 2.53 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.443 -0.786 . . . . 0.0 110.136 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.443 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 0.1 OUTLIER -65.19 136.66 56.91 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.356 -0.84 . . . . 0.0 110.36 -179.855 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 98.8 t -134.1 111.49 15.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.348 -0.845 . . . . 0.0 109.932 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.506 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 23.9 m -87.4 167.8 13.7 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.259 -0.901 . . . . 0.0 110.476 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.514 ' CB ' ' HB2' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -110.24 96.36 6.17 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.146 -0.971 . . . . 0.0 110.146 179.781 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.453 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 15.3 ttm-85 57.44 59.4 3.33 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.177 -0.952 . . . . 0.0 109.946 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.516 ' O ' ' CG ' ' A' ' 12' ' ' ARG . . . 56.31 23.28 40.57 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.678 -1.369 . . . . 0.0 109.678 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.516 ' CG ' ' O ' ' A' ' 11' ' ' GLY . 16.7 mtt85 -164.91 144.95 7.2 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.115 -1.227 . . . . 0.0 110.655 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.514 ' HB2' ' CB ' ' A' ' 9' ' ' TYR . 4.8 m-85 69.57 95.34 0.07 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.337 -0.852 . . . . 0.0 110.128 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.506 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 8.0 m -118.76 153.85 33.76 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.414 -0.803 . . . . 0.0 110.525 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.556 ' O ' ' CG ' ' A' ' 15' ' ' TYR . 7.2 p90 -145.07 82.29 1.66 Allowed 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 119.939 -0.704 . . . . 0.0 110.047 179.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.443 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . 2.1 ptt180 -43.37 152.28 0.14 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.314 -0.866 . . . . 0.0 110.224 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.614 0 O-C-N 121.224 -0.923 . . . . 0.0 110.178 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 50.9 m . . . . . 0 N--CA 1.492 1.659 0 CA-C-O 121.243 0.544 . . . . 0.0 110.326 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.488 ' O ' ' NH2' ' A' ' 16' ' ' ARG . 23.9 m-85 -65.99 -174.52 0.25 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.293 -0.879 . . . . 0.0 110.088 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.456 ' O ' ' HG3' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -161.72 117.08 2.02 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.277 -0.889 . . . . 0.0 110.315 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.478 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 5.5 t -134.66 120.98 33.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.246 -0.908 . . . . 0.0 110.09 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.51 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -119.67 160.85 21.73 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.268 -0.895 . . . . 0.0 110.481 -179.882 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.522 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.8 OUTLIER -100.38 107.21 18.91 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.367 -0.833 . . . . 0.0 110.197 -179.919 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 58.5 mmt-85 50.35 60.42 3.85 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.24 -0.913 . . . . 0.0 109.701 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 54.28 24.98 31.63 Favored Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.256 -1.538 . . . . 0.0 109.256 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.522 ' O ' ' N ' ' A' ' 9' ' ' TYR . 0.5 OUTLIER -157.66 146.31 19.37 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.273 -1.134 . . . . 0.0 110.4 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.519 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 3.3 m-85 69.74 94.71 0.07 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.477 -0.765 . . . . 0.0 110.151 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.51 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 0.7 OUTLIER -104.5 152.64 22.13 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.38 -0.825 . . . . 0.0 110.41 -179.82 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -116.42 75.67 0.97 Allowed 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.433 -0.792 . . . . 0.0 109.515 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.488 ' NH2' ' O ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -67.32 149.26 50.57 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.515 -0.74 . . . . 0.0 110.393 -179.447 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.2 tttm . . . . . 0 N--CA 1.492 1.657 0 O-C-N 121.249 -0.907 . . . . 0.0 110.336 179.944 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 22.4 m . . . . . 0 N--CA 1.494 1.774 0 CA-C-O 121.324 0.583 . . . . 0.0 110.458 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -76.06 173.01 11.82 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.311 -0.868 . . . . 0.0 110.108 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.14 127.49 4.52 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.238 -0.914 . . . . 0.0 110.253 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 45.7 t -132.6 130.67 59.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.294 -0.879 . . . . 0.0 110.272 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 5.9 m -131.28 118.91 21.03 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.344 -0.847 . . . . 0.0 110.237 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.457 ' O ' ' HB2' ' A' ' 12' ' ' ARG . 15.7 t80 -83.21 92.41 7.46 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.358 -0.839 . . . . 0.0 110.619 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.519 ' HB3' ' CD ' ' A' ' 12' ' ' ARG . 42.4 tpt85 39.29 59.81 1.65 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.431 -0.793 . . . . 0.0 111.063 179.543 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 10' ' ' ARG . . . 41.59 37.43 1.88 Allowed Glycine 0 N--CA 1.492 2.394 0 N-CA-C 110.489 -1.045 . . . . 0.0 110.489 179.402 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.519 ' CD ' ' HB3' ' A' ' 10' ' ' ARG . 1.2 mtp180 -126.73 1.41 6.75 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.149 -1.206 . . . . 0.0 109.892 179.4 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.471 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER 169.72 100.09 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.509 -0.744 . . . . 0.0 109.883 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 48.1 m -100.43 154.15 18.76 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.402 -0.811 . . . . 0.0 110.258 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -129.32 81.08 2.0 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.316 -0.865 . . . . 0.0 110.152 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.15 154.51 9.96 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.287 -0.883 . . . . 0.0 110.326 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.606 0 O-C-N 121.304 -0.873 . . . . 0.0 110.064 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.494 1.734 0 CA-C-O 121.403 0.62 . . . . 0.0 110.194 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -111.57 138.76 47.69 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.364 -0.835 . . . . 0.0 110.173 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.431 ' HB3' ' HA ' ' A' ' 16' ' ' ARG . 4.6 ptt-85 -136.99 132.23 34.03 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.243 -0.911 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.404 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 7.2 t -86.58 114.33 25.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.34 -0.85 . . . . 0.0 110.316 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.528 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 20.3 m -95.31 156.65 16.23 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.266 -0.896 . . . . 0.0 110.071 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.522 ' HB2' ' CB ' ' A' ' 13' ' ' PHE . 0.2 OUTLIER -106.84 95.86 6.03 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.109 -0.994 . . . . 0.0 110.156 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.3 tpp85 52.24 63.78 2.11 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.348 -0.845 . . . . 0.0 110.108 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.434 ' O ' ' CG ' ' A' ' 12' ' ' ARG . . . 55.53 21.26 27.22 Favored Glycine 0 N--CA 1.489 2.232 0 N-CA-C 109.404 -1.479 . . . . 0.0 109.404 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.522 ' O ' ' CB ' ' A' ' 9' ' ' TYR . 76.6 mtt-85 -156.96 148.33 22.2 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.291 -1.123 . . . . 0.0 110.329 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.522 ' CB ' ' HB2' ' A' ' 9' ' ' TYR . 0.2 OUTLIER 64.98 95.28 0.05 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.39 -0.819 . . . . 0.0 110.05 -179.883 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.528 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 84.6 m -118.63 148.98 42.15 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.523 -0.736 . . . . 0.0 110.605 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -127.55 82.15 2.07 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.47 -0.769 . . . . 0.0 110.036 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.431 ' HA ' ' HB3' ' A' ' 6' ' ' ARG . 0.6 OUTLIER -59.13 161.86 4.9 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.178 -0.951 . . . . 0.0 110.102 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.593 0 O-C-N 121.251 -0.906 . . . . 0.0 110.22 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.1 m . . . . . 0 N--CA 1.494 1.76 0 CA-C-O 121.481 0.658 . . . . 0.0 110.445 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -124.73 123.31 39.72 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.303 -0.873 . . . . 0.0 110.279 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.422 ' HG3' ' HG3' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -89.05 136.58 32.94 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.28 -0.888 . . . . 0.0 110.106 179.886 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.404 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 24.2 t -136.86 135.93 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.276 -0.89 . . . . 0.0 110.368 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 21.8 m -124.51 132.43 53.47 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.376 -0.827 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.482 ' O ' ' HB2' ' A' ' 12' ' ' ARG . 1.6 t80 -82.4 85.73 6.85 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.258 -0.901 . . . . 0.0 110.099 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 11' ' ' GLY . 0.1 OUTLIER 61.5 55.87 2.71 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.418 -0.801 . . . . 0.0 110.322 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 10' ' ' ARG . . . 38.88 47.86 2.46 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 110.306 -1.117 . . . . 0.0 110.306 179.568 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.5 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 9.0 mmt180 -119.28 -18.03 8.71 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.082 -1.246 . . . . 0.0 110.164 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.5 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER 167.19 101.93 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.519 -0.738 . . . . 0.0 110.18 179.858 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 63.2 m -71.99 148.92 45.47 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.363 -0.836 . . . . 0.0 110.193 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.497 ' N ' ' CD1' ' A' ' 15' ' ' TYR . 5.9 p90 -138.98 81.94 1.87 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.406 -0.809 . . . . 0.0 109.788 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 15' ' ' TYR . 7.9 mtm105 -41.56 161.47 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.363 -0.835 . . . . 0.0 110.265 -179.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.591 0 O-C-N 121.222 -0.924 . . . . 0.0 110.306 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.45 ' SG ' ' O ' ' A' ' 17' ' ' LYS . 1.9 m . . . . . 0 N--CA 1.495 1.778 0 CA-C-O 121.471 0.653 . . . . 0.0 110.47 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -123.56 -176.39 3.44 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.177 -0.952 . . . . 0.0 110.243 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.494 ' O ' ' CG ' ' A' ' 6' ' ' ARG . 6.8 ptt85 -167.52 114.05 0.74 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.195 -0.94 . . . . 0.0 110.308 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.1 t -102.26 137.02 31.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.36 -0.837 . . . . 0.0 110.205 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 12.7 m -117.37 123.66 47.02 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.264 -0.897 . . . . 0.0 110.365 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.486 ' O ' ' HB3' ' A' ' 12' ' ' ARG . 1.7 t80 -95.43 100.32 12.1 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.349 -0.845 . . . . 0.0 110.166 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' A' ' 11' ' ' GLY . 35.1 ttt180 39.79 55.01 2.53 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.304 -0.872 . . . . 0.0 110.748 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 10' ' ' ARG . . . 37.95 32.78 0.13 Allowed Glycine 0 N--CA 1.493 2.463 0 N-CA-C 110.488 -1.045 . . . . 0.0 110.488 179.534 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.516 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 0.5 OUTLIER -108.38 -8.65 15.57 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.053 -1.263 . . . . 0.0 109.728 179.711 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.516 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER 166.89 101.55 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.578 -0.702 . . . . 0.0 109.802 179.902 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 86.0 m -87.5 162.79 17.04 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.334 -0.854 . . . . 0.0 110.31 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -129.19 82.77 2.1 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.343 -0.848 . . . . 0.0 110.03 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.75 132.03 39.05 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.315 -0.866 . . . . 0.0 110.191 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.45 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 9.8 mmtt . . . . . 0 N--CA 1.49 1.558 0 O-C-N 121.179 -0.951 . . . . 0.0 110.082 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.296 0.569 . . . . 0.0 110.092 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.734 ' O ' HG23 ' A' ' 7' ' ' VAL . 19.7 m-85 -114.68 84.66 2.1 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.33 -0.856 . . . . 0.0 110.114 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.46 ' HG2' ' CD ' ' A' ' 16' ' ' ARG . 24.8 mtt180 -58.68 128.83 39.16 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.299 -0.876 . . . . 0.0 110.413 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.734 HG23 ' O ' ' A' ' 5' ' ' PHE . 5.6 t -133.26 131.09 58.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.335 -0.853 . . . . 0.0 109.862 179.677 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.512 ' SG ' ' N ' ' A' ' 14' ' ' CYS . 1.4 t -130.03 143.93 51.06 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.249 -0.907 . . . . 0.0 110.443 -179.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.471 ' O ' ' HB2' ' A' ' 12' ' ' ARG . 8.0 t80 -96.34 92.48 6.35 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.4 -0.813 . . . . 0.0 110.292 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.486 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.1 OUTLIER 60.37 52.27 4.89 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.27 -0.894 . . . . 0.0 110.496 179.881 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 10' ' ' ARG . . . 38.11 38.57 0.58 Allowed Glycine 0 N--CA 1.494 2.52 0 N-CA-C 110.427 -1.069 . . . . 0.0 110.427 179.492 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.582 ' O ' ' CG ' ' A' ' 13' ' ' PHE . 0.4 OUTLIER -111.74 -11.02 14.02 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.127 -1.219 . . . . 0.0 110.283 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.582 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER 169.86 100.57 0.01 OUTLIER 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.544 -0.723 . . . . 0.0 110.054 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.512 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 11.0 m -85.08 150.3 24.96 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.378 -0.827 . . . . 0.0 110.212 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.623 ' N ' ' CD1' ' A' ' 15' ' ' TYR . 2.6 p90 -141.04 78.31 1.64 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.266 -0.897 . . . . 0.0 109.962 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.46 ' CD ' ' HG2' ' A' ' 6' ' ' ARG . 24.5 mtm180 -45.49 167.12 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.481 -0.762 . . . . 0.0 110.212 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.635 0 O-C-N 121.27 -0.894 . . . . 0.0 110.186 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 66.0 m . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.316 0.579 . . . . 0.0 110.329 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -89.47 175.53 7.27 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.234 -0.916 . . . . 0.0 110.041 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.58 129.08 1.85 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.149 -0.969 . . . . 0.0 110.411 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.574 ' O ' ' CD2' ' A' ' 15' ' ' TYR . 21.9 t -113.74 127.14 71.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.31 -0.869 . . . . 0.0 110.191 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 5.2 t -135.59 145.89 47.38 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.304 -0.872 . . . . 0.0 110.29 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.461 ' O ' ' HB2' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -110.75 94.8 5.18 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.413 -0.804 . . . . 0.0 110.562 -179.924 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.494 ' O ' ' N ' ' A' ' 12' ' ' ARG . 7.9 tpp180 60.54 53.33 4.17 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.294 -0.879 . . . . 0.0 110.677 179.636 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 10' ' ' ARG . . . 37.67 28.75 0.04 OUTLIER Glycine 0 N--CA 1.494 2.533 0 N-CA-C 110.583 -1.007 . . . . 0.0 110.583 179.335 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.573 ' O ' ' CG ' ' A' ' 13' ' ' PHE . 0.2 OUTLIER -96.45 -12.82 23.69 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.053 -1.263 . . . . 0.0 110.073 179.693 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.573 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER 168.25 98.16 0.0 OUTLIER 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.692 -0.63 . . . . 0.0 109.781 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 23.6 m -83.34 163.99 20.29 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.381 -0.824 . . . . 0.0 110.321 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.574 ' CD2' ' O ' ' A' ' 7' ' ' VAL . 19.5 m-85 -128.66 81.85 2.05 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.235 -0.915 . . . . 0.0 110.035 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.64 141.26 44.19 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.282 -0.886 . . . . 0.0 110.256 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.6 tptp . . . . . 0 N--CA 1.492 1.631 0 O-C-N 121.265 -0.897 . . . . 0.0 110.161 179.965 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.658 0 CA-C-O 121.25 0.548 . . . . 0.0 110.171 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.401 ' C ' ' CD1' ' A' ' 3' ' ' TRP . 11.3 mtt85 -94.48 150.06 20.63 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.209 -0.932 . . . . 0.0 110.228 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.561 ' O ' ' CE3' ' A' ' 3' ' ' TRP . 47.5 p-90 -178.95 109.95 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.281 -0.887 . . . . 0.0 110.035 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.47 ' HB3' ' O ' ' A' ' 3' ' ' TRP . 18.0 t 61.08 142.71 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.234 -0.916 . . . . 0.0 110.229 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -127.36 126.75 43.08 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.389 -0.82 . . . . 0.0 110.143 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.457 ' CB ' ' HA ' ' A' ' 16' ' ' ARG . 5.6 ptt85 -116.24 131.36 56.97 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.266 -0.896 . . . . 0.0 110.28 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.484 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 91.1 t -91.59 122.48 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.307 -0.87 . . . . 0.0 110.127 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.523 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 1.2 m -96.31 163.58 13.02 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.18 -0.95 . . . . 0.0 110.233 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.529 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 2.4 t80 -112.6 96.1 5.8 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.176 -0.953 . . . . 0.0 110.401 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.422 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 0.6 OUTLIER 55.65 61.93 2.63 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.238 -0.914 . . . . 0.0 110.285 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 58.32 17.37 31.55 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.851 -1.3 . . . . 0.0 109.851 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.529 ' CG ' ' O ' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -161.0 153.25 20.21 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.139 -1.212 . . . . 0.0 110.504 179.88 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.522 ' HB3' ' HB2' ' A' ' 9' ' ' TYR . 0.3 OUTLIER 67.33 96.22 0.06 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.427 -0.796 . . . . 0.0 109.767 -179.575 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.523 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 0.1 OUTLIER -119.63 154.71 33.58 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.513 -0.742 . . . . 0.0 110.936 -179.644 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.414 ' O ' ' C ' ' A' ' 16' ' ' ARG . 18.0 m-85 -122.84 76.5 1.36 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.663 -0.648 . . . . 0.0 109.601 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.457 ' HA ' ' CB ' ' A' ' 6' ' ' ARG . 2.6 mtt180 -42.96 153.11 0.09 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.434 -0.791 . . . . 0.0 110.298 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.4 tttp -167.57 106.47 0.55 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.23 -0.919 . . . . 0.0 110.131 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 41.8 m -105.66 138.13 42.36 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.299 -0.876 . . . . 0.0 110.232 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.592 0 O-C-N 121.29 -0.881 . . . . 0.0 110.174 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 121.244 0.545 . . . . 0.0 110.223 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.467 ' O ' ' HB2' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -94.21 104.98 16.97 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.245 -0.91 . . . . 0.0 110.098 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.467 ' HB2' ' O ' ' A' ' 2' ' ' ARG . 23.7 t-105 176.07 109.24 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.252 -0.905 . . . . 0.0 110.141 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.454 ' HB2' ' O ' ' A' ' 3' ' ' TRP . 37.3 m 59.71 126.75 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.328 -0.857 . . . . 0.0 110.412 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -98.49 147.97 24.21 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.21 -0.932 . . . . 0.0 110.088 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -102.66 135.14 44.85 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.253 -0.904 . . . . 0.0 110.377 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.681 HG12 ' CZ ' ' A' ' 15' ' ' TYR . 75.3 t -129.33 138.37 54.54 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.311 -0.868 . . . . 0.0 110.224 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.463 ' SG ' ' N ' ' A' ' 14' ' ' CYS . 0.9 OUTLIER -139.67 152.38 46.68 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.209 -0.932 . . . . 0.0 110.477 -179.846 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.461 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 1.5 m-30 -110.01 97.55 7.03 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.377 -0.827 . . . . 0.0 110.385 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.476 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 16.3 mmt180 59.5 52.29 5.89 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.359 -0.838 . . . . 0.0 110.762 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.473 ' C ' ' O ' ' A' ' 10' ' ' ARG . . . 34.28 47.96 0.59 Allowed Glycine 0 N--CA 1.496 2.657 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 179.295 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.489 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 8.5 mmt180 -121.71 -11.66 8.59 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.022 -1.281 . . . . 0.0 110.42 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.489 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER 169.75 100.54 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.694 0 O-C-N 121.45 -0.781 . . . . 0.0 110.01 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.463 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 14.6 m -84.26 159.87 20.88 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.455 -0.778 . . . . 0.0 110.183 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.681 ' CZ ' HG12 ' A' ' 7' ' ' VAL . 4.4 p90 -149.73 81.24 1.39 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.325 -0.859 . . . . 0.0 109.819 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -41.94 153.4 0.06 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.469 -0.77 . . . . 0.0 110.21 -179.786 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.8 tptt -146.73 108.16 4.27 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.275 -0.891 . . . . 0.0 110.304 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -110.93 124.46 52.15 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.415 -0.803 . . . . 0.0 110.272 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 . . . . . 0 N--CA 1.491 1.622 0 O-C-N 121.173 -0.955 . . . . 0.0 110.258 179.775 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.5 ttm180 . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 121.243 0.544 . . . . 0.0 110.184 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.87 122.9 35.72 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.193 -0.942 . . . . 0.0 110.143 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.404 ' CD1' ' O ' ' A' ' 3' ' ' TRP . 54.3 t-105 -151.5 83.7 1.3 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.326 -0.859 . . . . 0.0 110.26 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.48 ' C ' ' CG ' ' A' ' 5' ' ' PHE . 29.8 p -159.88 137.9 10.12 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.326 -0.859 . . . . 0.0 110.165 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.48 ' CG ' ' C ' ' A' ' 4' ' ' CYS . 54.0 m-85 -149.21 -143.85 0.14 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.284 -0.885 . . . . 0.0 110.256 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.41 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 6.1 mtt180 -111.18 135.72 51.3 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.198 -0.939 . . . . 0.0 110.4 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.42 HG11 ' OH ' ' A' ' 15' ' ' TYR . 60.8 t -121.87 107.12 19.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.378 -0.826 . . . . 0.0 109.903 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.511 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 20.1 m -88.03 164.12 15.93 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.343 -0.848 . . . . 0.0 110.461 -179.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.523 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -107.76 97.01 6.79 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.155 -0.966 . . . . 0.0 110.125 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.448 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 4.6 tpt180 55.73 62.2 2.51 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.219 -0.926 . . . . 0.0 110.153 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 57.22 22.73 44.79 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.877 -1.289 . . . . 0.0 109.877 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.523 ' CG ' ' O ' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -167.43 154.01 8.16 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.061 -1.258 . . . . 0.0 110.435 179.903 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.497 ' O ' ' N ' ' A' ' 9' ' ' TYR . 1.1 m-85 64.23 95.16 0.05 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.406 -0.809 . . . . 0.0 109.942 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.511 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 9.1 m -119.43 149.77 41.31 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.341 -0.849 . . . . 0.0 110.764 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.538 ' N ' ' CD1' ' A' ' 15' ' ' TYR . 14.7 p90 -143.3 82.11 1.73 Allowed 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 120.164 -0.614 . . . . 0.0 109.747 179.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 15' ' ' TYR . 14.3 ptt180 -42.27 129.44 3.8 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.401 -0.812 . . . . 0.0 110.266 -179.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.42 ' O ' ' HB2' ' A' ' 4' ' ' CYS . 0.3 OUTLIER -120.05 98.04 5.89 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.306 -0.872 . . . . 0.0 110.189 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.6 t -148.26 145.38 28.18 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.465 -0.772 . . . . 0.0 110.185 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 64.1 mtp180 . . . . . 0 N--CA 1.491 1.597 0 O-C-N 121.274 -0.891 . . . . 0.0 110.174 179.943 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.462 ' O ' ' HG2' ' A' ' 2' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.258 0.552 . . . . 0.0 110.241 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.462 ' HG2' ' O ' ' A' ' 1' ' ' ARG . 1.5 mmt180 -151.53 94.61 2.03 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.22 -0.925 . . . . 0.0 110.175 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.442 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 1.7 m95 52.94 84.35 0.06 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.306 -0.871 . . . . 0.0 110.164 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.442 ' SG ' ' O ' ' A' ' 3' ' ' TRP . 98.9 m -150.45 118.46 6.28 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.233 -0.917 . . . . 0.0 110.24 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -120.18 112.81 19.55 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.227 -0.921 . . . . 0.0 110.257 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.484 ' HD3' ' HG2' ' A' ' 16' ' ' ARG . 1.2 mmt180 -75.58 125.55 29.25 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.184 -0.947 . . . . 0.0 110.065 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.45 ' HB ' ' HB2' ' A' ' 15' ' ' TYR . 48.5 t -124.75 114.81 42.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.266 -0.896 . . . . 0.0 110.372 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 62.4 m -122.79 117.65 26.15 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.368 -0.833 . . . . 0.0 110.001 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.471 ' O ' ' HB2' ' A' ' 12' ' ' ARG . 3.7 t80 -94.39 104.49 16.47 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.186 -0.947 . . . . 0.0 110.294 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.491 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 12.3 mmt180 39.63 52.45 2.41 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.428 -0.795 . . . . 0.0 110.579 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 10' ' ' ARG . . . 43.12 26.37 0.51 Allowed Glycine 0 N--CA 1.49 2.269 0 N-CA-C 110.255 -1.138 . . . . 0.0 110.255 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.567 ' O ' ' CD2' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -92.94 -12.22 31.4 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.888 -1.36 . . . . 0.0 109.93 179.57 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.567 ' CD2' ' O ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER 167.06 100.89 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.492 -0.755 . . . . 0.0 110.045 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.466 ' O ' ' CD1' ' A' ' 15' ' ' TYR . 13.6 m -79.63 158.0 27.16 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.34 -0.85 . . . . 0.0 110.21 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.466 ' CD1' ' O ' ' A' ' 14' ' ' CYS . 20.8 m-85 -128.67 81.89 2.05 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.238 -0.914 . . . . 0.0 110.0 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.484 ' HG2' ' HD3' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -67.97 112.05 4.75 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.327 -0.858 . . . . 0.0 110.277 -179.872 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.432 ' O ' ' HB2' ' A' ' 18' ' ' CYS . 0.2 OUTLIER -105.15 98.23 7.97 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.248 -0.908 . . . . 0.0 110.215 179.84 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.432 ' HB2' ' O ' ' A' ' 17' ' ' LYS . 0.5 OUTLIER 176.42 151.93 0.16 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.452 -0.78 . . . . 0.0 110.247 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.62 0 O-C-N 121.362 -0.836 . . . . 0.0 110.137 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.434 ' O ' ' CB ' ' A' ' 2' ' ' ARG . 17.5 ttm180 . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.22 0.534 . . . . 0.0 110.206 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.434 ' CB ' ' O ' ' A' ' 1' ' ' ARG . 0.0 OUTLIER 65.01 148.78 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.225 -0.922 . . . . 0.0 110.275 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 1.2 m95 -165.75 82.65 0.32 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.291 -0.881 . . . . 0.0 110.258 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.454 ' SG ' ' O ' ' A' ' 17' ' ' LYS . 0.1 OUTLIER -178.15 137.17 0.17 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.294 -0.879 . . . . 0.0 110.139 179.906 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.871 ' O ' HG23 ' A' ' 7' ' ' VAL . 94.5 m-85 -150.15 78.26 1.33 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.271 -0.893 . . . . 0.0 110.252 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.8 113.39 1.3 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.214 -0.929 . . . . 0.0 110.114 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.871 HG23 ' O ' ' A' ' 5' ' ' PHE . 21.5 t -116.82 127.29 74.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.272 -0.893 . . . . 0.0 110.267 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.421 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 85.0 m -125.98 125.56 42.9 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.304 -0.872 . . . . 0.0 110.277 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.494 ' O ' ' HB3' ' A' ' 12' ' ' ARG . 54.4 t80 -94.03 86.98 5.17 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.218 -0.926 . . . . 0.0 110.184 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.527 ' CZ ' ' HA ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER 62.22 54.67 2.58 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.416 -0.803 . . . . 0.0 110.449 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 10' ' ' ARG . . . 37.53 33.05 0.11 Allowed Glycine 0 N--CA 1.493 2.476 0 N-CA-C 110.621 -0.992 . . . . 0.0 110.621 179.443 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.541 ' O ' ' CG ' ' A' ' 13' ' ' PHE . 1.8 tpt85 -109.7 -7.01 15.14 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.035 -1.274 . . . . 0.0 109.873 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.541 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER 169.82 100.79 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.379 -0.825 . . . . 0.0 110.261 179.889 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.485 ' HA ' ' O ' ' A' ' 7' ' ' VAL . 53.1 m -82.1 153.66 25.97 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.381 -0.824 . . . . 0.0 110.078 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.446 ' N ' ' O ' ' A' ' 7' ' ' VAL . 21.5 m-85 -126.34 77.76 1.72 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.226 -0.921 . . . . 0.0 109.951 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 28.8 mtt180 -73.97 141.94 45.86 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.4 -0.812 . . . . 0.0 110.018 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.454 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 0.0 OUTLIER -133.48 104.81 6.58 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.152 -0.968 . . . . 0.0 110.315 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -160.58 133.83 6.67 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.434 -0.791 . . . . 0.0 110.018 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 . . . . . 0 N--CA 1.491 1.593 0 O-C-N 121.176 -0.953 . . . . 0.0 110.246 -179.886 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.4 ' C ' ' HG3' ' A' ' 2' ' ' ARG . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.238 0.542 . . . . 0.0 110.184 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.446 ' O ' ' O ' ' A' ' 3' ' ' TRP . 92.0 mtt-85 -141.05 134.94 30.51 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.286 -0.884 . . . . 0.0 110.185 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.446 ' O ' ' O ' ' A' ' 2' ' ' ARG . 3.3 m-90 50.21 99.75 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.247 -0.908 . . . . 0.0 110.152 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 12.8 m -137.21 118.13 14.23 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.266 -0.896 . . . . 0.0 110.136 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -125.06 91.13 3.37 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.295 -0.878 . . . . 0.0 110.161 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.446 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -70.73 134.67 47.65 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.307 -0.871 . . . . 0.0 110.226 -179.922 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.508 ' CG1' ' OH ' ' A' ' 15' ' ' TYR . 78.8 t -134.16 116.26 22.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.362 -0.837 . . . . 0.0 109.886 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.509 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 17.5 m -91.48 166.4 12.88 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.272 -0.893 . . . . 0.0 110.505 -179.619 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.492 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.8 OUTLIER -106.65 96.73 6.65 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.213 -0.93 . . . . 0.0 109.918 179.656 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.466 ' HB2' ' O ' ' A' ' 9' ' ' TYR . 0.0 OUTLIER 56.27 59.55 3.62 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.189 -0.945 . . . . 0.0 109.785 -179.545 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.475 ' O ' ' HG2' ' A' ' 12' ' ' ARG . . . 58.56 18.46 37.68 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.631 -1.388 . . . . 0.0 109.631 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 9' ' ' TYR . 1.1 mtm105 -160.33 153.94 22.44 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.194 -1.18 . . . . 0.0 110.312 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.484 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 1.2 m-85 63.37 95.14 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.295 -0.878 . . . . 0.0 109.859 -179.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.509 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 11.2 m -119.06 153.12 35.25 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.42 -0.8 . . . . 0.0 110.672 -179.529 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.572 ' N ' ' CD1' ' A' ' 15' ' ' TYR . 7.7 p90 -142.31 78.54 1.63 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.549 -0.719 . . . . 0.0 109.944 179.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.446 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . 0.2 OUTLIER -52.41 174.77 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.46 -0.775 . . . . 0.0 110.309 -179.815 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.439 ' O ' ' SG ' ' A' ' 18' ' ' CYS . 2.6 tptt -155.13 116.37 3.99 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.325 -0.859 . . . . 0.0 110.184 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.439 ' SG ' ' O ' ' A' ' 17' ' ' LYS . 73.2 m -149.64 146.15 27.13 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.147 -0.971 . . . . 0.0 110.369 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.673 0 O-C-N 121.26 -0.9 . . . . 0.0 110.256 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.5 mtp180 . . . . . 0 N--CA 1.492 1.656 0 CA-C-O 121.275 0.559 . . . . 0.0 110.226 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -119.01 97.52 5.73 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.243 -0.911 . . . . 0.0 110.203 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.425 ' O ' ' CB ' ' A' ' 4' ' ' CYS . 0.0 OUTLIER 176.34 93.18 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.236 -0.915 . . . . 0.0 110.316 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.425 ' CB ' ' O ' ' A' ' 3' ' ' TRP . 0.1 OUTLIER 66.14 137.63 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.277 -0.889 . . . . 0.0 110.314 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.534 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 33.2 m-85 -109.97 83.17 1.71 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.31 -0.869 . . . . 0.0 110.113 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 40.4 mtm180 -67.87 111.44 4.34 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.288 -0.882 . . . . 0.0 110.36 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.458 ' O ' ' CD2' ' A' ' 15' ' ' TYR . 60.5 t -125.4 117.31 49.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.337 -0.852 . . . . 0.0 110.042 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 77.3 m -122.0 115.81 23.19 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.271 -0.893 . . . . 0.0 110.433 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.448 ' O ' ' HB2' ' A' ' 12' ' ' ARG . 24.2 t80 -72.98 96.34 2.12 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.28 -0.887 . . . . 0.0 110.027 179.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.475 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 45.5 mmt-85 42.25 53.09 4.5 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.304 -0.873 . . . . 0.0 110.252 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 48.73 29.79 8.24 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 110.055 -1.218 . . . . 0.0 110.055 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.544 ' O ' ' CG ' ' A' ' 13' ' ' PHE . 17.5 mmt180 -99.83 -11.04 21.11 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.001 -1.293 . . . . 0.0 110.103 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.573 ' O ' ' CZ ' ' A' ' 15' ' ' TYR . 0.1 OUTLIER 166.03 101.54 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.506 -0.746 . . . . 0.0 109.913 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 36.5 m -73.98 155.07 38.99 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.339 -0.85 . . . . 0.0 110.31 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.573 ' CZ ' ' O ' ' A' ' 13' ' ' PHE . 22.3 m-85 -127.22 80.31 1.94 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.324 -0.86 . . . . 0.0 109.933 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 27.3 mtt180 -69.99 121.78 18.07 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.337 -0.852 . . . . 0.0 110.341 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -120.43 109.21 15.05 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.24 -0.912 . . . . 0.0 110.154 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -155.46 123.98 5.97 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.318 -0.864 . . . . 0.0 110.285 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.667 0 O-C-N 121.259 -0.901 . . . . 0.0 110.133 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.302 0.572 . . . . 0.0 110.178 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.457 ' O ' ' HB2' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -117.12 146.21 43.3 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.217 -0.927 . . . . 0.0 110.213 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.473 ' O ' ' O ' ' A' ' 4' ' ' CYS . 97.7 m95 56.4 104.71 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.325 -0.859 . . . . 0.0 110.2 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.473 ' O ' ' O ' ' A' ' 3' ' ' TRP . 60.3 m 57.27 118.09 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.42 -0.8 . . . . 0.0 110.435 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.763 ' O ' HG23 ' A' ' 7' ' ' VAL . 8.5 m-85 -109.4 88.38 2.72 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.24 -0.912 . . . . 0.0 110.137 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.3 ttp180 -53.32 130.88 36.46 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.237 -0.915 . . . . 0.0 110.214 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 5' ' ' PHE . 44.0 t -131.43 127.68 60.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.274 -0.891 . . . . 0.0 110.173 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 36.0 m -114.01 129.06 56.63 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.314 -0.866 . . . . 0.0 110.315 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.465 ' O ' ' HB2' ' A' ' 12' ' ' ARG . 3.0 t80 -82.38 89.98 6.65 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.245 -0.91 . . . . 0.0 110.065 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.471 ' CB ' ' HD2' ' A' ' 12' ' ' ARG . 9.8 mmt180 58.03 54.59 5.85 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.364 -0.835 . . . . 0.0 110.325 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 10' ' ' ARG . . . 39.14 47.74 2.64 Favored Glycine 0 N--CA 1.493 2.447 0 N-CA-C 110.364 -1.094 . . . . 0.0 110.364 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.517 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 18.0 mtt180 -119.58 -16.43 8.86 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.051 -1.264 . . . . 0.0 110.378 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.517 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER 166.38 101.92 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.48 -0.763 . . . . 0.0 110.163 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 60.1 m -73.43 143.87 46.54 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.374 -0.829 . . . . 0.0 110.157 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.479 ' CD1' ' N ' ' A' ' 15' ' ' TYR . 12.5 p90 -133.68 79.18 1.81 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.234 -0.916 . . . . 0.0 109.821 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -45.09 166.67 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.418 -0.801 . . . . 0.0 110.288 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.02 105.93 4.34 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.188 -0.945 . . . . 0.0 110.187 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.4 m -141.2 147.27 38.08 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.362 -0.836 . . . . 0.0 110.104 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.636 0 O-C-N 121.211 -0.931 . . . . 0.0 110.265 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.154 0.502 . . . . 0.0 110.11 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.5 mtm180 -159.72 115.38 2.45 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.35 -0.844 . . . . 0.0 110.312 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.547 ' CE3' ' HA ' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -125.42 83.32 2.15 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.197 -0.939 . . . . 0.0 110.236 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.445 ' HA ' ' HB3' ' A' ' 18' ' ' CYS . 13.0 t -98.47 141.88 30.78 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.281 -0.887 . . . . 0.0 110.306 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -113.18 87.14 2.53 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.443 -0.786 . . . . 0.0 110.136 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.443 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 0.1 OUTLIER -65.19 136.66 56.91 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.356 -0.84 . . . . 0.0 110.36 -179.855 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 98.8 t -134.1 111.49 15.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.348 -0.845 . . . . 0.0 109.932 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.506 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 23.9 m -87.4 167.8 13.7 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.259 -0.901 . . . . 0.0 110.476 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.514 ' CB ' ' HB2' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -110.24 96.36 6.17 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.146 -0.971 . . . . 0.0 110.146 179.781 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.453 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 15.3 ttm-85 57.44 59.4 3.33 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.177 -0.952 . . . . 0.0 109.946 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.516 ' O ' ' CG ' ' A' ' 12' ' ' ARG . . . 56.31 23.28 40.57 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.678 -1.369 . . . . 0.0 109.678 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.516 ' CG ' ' O ' ' A' ' 11' ' ' GLY . 16.7 mtt85 -164.91 144.95 7.2 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.115 -1.227 . . . . 0.0 110.655 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.514 ' HB2' ' CB ' ' A' ' 9' ' ' TYR . 4.8 m-85 69.57 95.34 0.07 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.337 -0.852 . . . . 0.0 110.128 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.506 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 8.0 m -118.76 153.85 33.76 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.414 -0.803 . . . . 0.0 110.525 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.556 ' O ' ' CG ' ' A' ' 15' ' ' TYR . 7.2 p90 -145.07 82.29 1.66 Allowed 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 119.939 -0.704 . . . . 0.0 110.047 179.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.443 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . 2.1 ptt180 -43.37 152.28 0.14 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.314 -0.866 . . . . 0.0 110.224 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.8 97.2 3.98 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.224 -0.923 . . . . 0.0 110.178 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.445 ' HB3' ' HA ' ' A' ' 4' ' ' CYS . 7.5 p -174.76 130.54 0.33 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.453 -0.779 . . . . 0.0 110.23 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.6 mmt85 . . . . . 0 N--CA 1.492 1.629 0 O-C-N 121.292 -0.88 . . . . 0.0 110.148 179.969 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.283 0.563 . . . . 0.0 110.261 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -55.87 149.64 14.56 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.21 -0.931 . . . . 0.0 110.245 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -145.91 91.57 2.1 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.343 -0.848 . . . . 0.0 110.191 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 50.9 m -49.87 123.25 7.71 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.272 -0.893 . . . . 0.0 110.326 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.488 ' O ' ' NH2' ' A' ' 16' ' ' ARG . 23.9 m-85 -65.99 -174.52 0.25 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.293 -0.879 . . . . 0.0 110.088 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.456 ' O ' ' HG3' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -161.72 117.08 2.02 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.277 -0.889 . . . . 0.0 110.315 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.478 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 5.5 t -134.66 120.98 33.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.246 -0.908 . . . . 0.0 110.09 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.51 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -119.67 160.85 21.73 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.268 -0.895 . . . . 0.0 110.481 -179.882 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.522 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.8 OUTLIER -100.38 107.21 18.91 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.367 -0.833 . . . . 0.0 110.197 -179.919 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 58.5 mmt-85 50.35 60.42 3.85 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.24 -0.913 . . . . 0.0 109.701 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 54.28 24.98 31.63 Favored Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.256 -1.538 . . . . 0.0 109.256 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.522 ' O ' ' N ' ' A' ' 9' ' ' TYR . 0.5 OUTLIER -157.66 146.31 19.37 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.273 -1.134 . . . . 0.0 110.4 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.519 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 3.3 m-85 69.74 94.71 0.07 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.477 -0.765 . . . . 0.0 110.151 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.51 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 0.7 OUTLIER -104.5 152.64 22.13 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.38 -0.825 . . . . 0.0 110.41 -179.82 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -116.42 75.67 0.97 Allowed 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.433 -0.792 . . . . 0.0 109.515 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.488 ' NH2' ' O ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -67.32 149.26 50.57 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.515 -0.74 . . . . 0.0 110.393 -179.447 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.454 ' O ' ' HB3' ' A' ' 18' ' ' CYS . 3.2 tttm -172.77 100.1 0.14 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.249 -0.907 . . . . 0.0 110.336 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.454 ' HB3' ' O ' ' A' ' 17' ' ' LYS . 19.3 p -178.17 139.19 0.2 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.447 -0.783 . . . . 0.0 110.228 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.584 0 O-C-N 121.139 -0.975 . . . . 0.0 110.269 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.3 tpp85 . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 121.208 0.528 . . . . 0.0 110.182 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.488 ' CG ' ' CZ ' ' A' ' 5' ' ' PHE . 0.1 OUTLIER 62.17 96.64 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.246 -0.909 . . . . 0.0 110.108 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.461 ' O ' ' O ' ' A' ' 4' ' ' CYS . 4.0 m-90 -119.8 77.09 1.2 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.27 -0.894 . . . . 0.0 110.24 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.461 ' O ' ' O ' ' A' ' 3' ' ' TRP . 22.4 m 55.57 112.94 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.445 -0.785 . . . . 0.0 110.458 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.488 ' CZ ' ' CG ' ' A' ' 2' ' ' ARG . 28.4 m-85 -76.06 173.01 11.82 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.311 -0.868 . . . . 0.0 110.108 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.14 127.49 4.52 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.238 -0.914 . . . . 0.0 110.253 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 45.7 t -132.6 130.67 59.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.294 -0.879 . . . . 0.0 110.272 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 5.9 m -131.28 118.91 21.03 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.344 -0.847 . . . . 0.0 110.237 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.457 ' O ' ' HB2' ' A' ' 12' ' ' ARG . 15.7 t80 -83.21 92.41 7.46 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.358 -0.839 . . . . 0.0 110.619 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.519 ' HB3' ' CD ' ' A' ' 12' ' ' ARG . 42.4 tpt85 39.29 59.81 1.65 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.431 -0.793 . . . . 0.0 111.063 179.543 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 10' ' ' ARG . . . 41.59 37.43 1.88 Allowed Glycine 0 N--CA 1.492 2.394 0 N-CA-C 110.489 -1.045 . . . . 0.0 110.489 179.402 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.519 ' CD ' ' HB3' ' A' ' 10' ' ' ARG . 1.2 mtp180 -126.73 1.41 6.75 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.149 -1.206 . . . . 0.0 109.892 179.4 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.471 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER 169.72 100.09 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.509 -0.744 . . . . 0.0 109.883 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 48.1 m -100.43 154.15 18.76 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.402 -0.811 . . . . 0.0 110.258 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -129.32 81.08 2.0 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.316 -0.865 . . . . 0.0 110.152 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.15 154.51 9.96 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.287 -0.883 . . . . 0.0 110.326 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -166.01 93.72 0.54 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.304 -0.873 . . . . 0.0 110.064 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.448 ' O ' ' HG2' ' A' ' 19' ' ' ARG . 49.5 t -133.69 124.53 26.88 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.566 -0.709 . . . . 0.0 110.19 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.448 ' HG2' ' O ' ' A' ' 18' ' ' CYS . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.6 0 O-C-N 121.277 -0.89 . . . . 0.0 110.192 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.265 0.555 . . . . 0.0 110.247 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 36.7 mtp85 -137.01 127.79 27.25 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.183 -0.948 . . . . 0.0 110.225 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.426 ' O ' ' CB ' ' A' ' 4' ' ' CYS . 45.7 m95 53.77 99.45 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.27 -0.894 . . . . 0.0 110.17 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.426 ' CB ' ' O ' ' A' ' 3' ' ' TRP . 0.5 OUTLIER 64.03 137.9 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.33 -0.856 . . . . 0.0 110.194 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -111.57 138.76 47.69 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.364 -0.835 . . . . 0.0 110.173 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.431 ' HB3' ' HA ' ' A' ' 16' ' ' ARG . 4.6 ptt-85 -136.99 132.23 34.03 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.243 -0.911 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.404 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 7.2 t -86.58 114.33 25.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.34 -0.85 . . . . 0.0 110.316 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.528 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 20.3 m -95.31 156.65 16.23 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.266 -0.896 . . . . 0.0 110.071 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.522 ' HB2' ' CB ' ' A' ' 13' ' ' PHE . 0.2 OUTLIER -106.84 95.86 6.03 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.109 -0.994 . . . . 0.0 110.156 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.3 tpp85 52.24 63.78 2.11 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.348 -0.845 . . . . 0.0 110.108 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.434 ' O ' ' CG ' ' A' ' 12' ' ' ARG . . . 55.53 21.26 27.22 Favored Glycine 0 N--CA 1.489 2.232 0 N-CA-C 109.404 -1.479 . . . . 0.0 109.404 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.522 ' O ' ' CB ' ' A' ' 9' ' ' TYR . 76.6 mtt-85 -156.96 148.33 22.2 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.291 -1.123 . . . . 0.0 110.329 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.522 ' CB ' ' HB2' ' A' ' 9' ' ' TYR . 0.2 OUTLIER 64.98 95.28 0.05 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.39 -0.819 . . . . 0.0 110.05 -179.883 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.528 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 84.6 m -118.63 148.98 42.15 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.523 -0.736 . . . . 0.0 110.605 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -127.55 82.15 2.07 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.47 -0.769 . . . . 0.0 110.036 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.431 ' HA ' ' HB3' ' A' ' 6' ' ' ARG . 0.6 OUTLIER -59.13 161.86 4.9 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.178 -0.951 . . . . 0.0 110.102 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -172.08 108.84 0.23 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.251 -0.906 . . . . 0.0 110.22 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -114.28 119.83 38.33 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.371 -0.83 . . . . 0.0 110.254 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.586 0 O-C-N 121.275 -0.891 . . . . 0.0 110.189 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.225 0.536 . . . . 0.0 110.177 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 -111.11 133.36 53.53 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.26 -0.9 . . . . 0.0 110.182 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.476 ' O ' ' O ' ' A' ' 4' ' ' CYS . 0.0 OUTLIER -148.95 82.6 1.44 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.196 -0.94 . . . . 0.0 110.271 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.486 ' HA ' ' CB ' ' A' ' 18' ' ' CYS . 4.1 m 58.73 142.64 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.471 -0.768 . . . . 0.0 110.445 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -124.73 123.31 39.72 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.303 -0.873 . . . . 0.0 110.279 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.422 ' HG3' ' HG3' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -89.05 136.58 32.94 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.28 -0.888 . . . . 0.0 110.106 179.886 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.404 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 24.2 t -136.86 135.93 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.276 -0.89 . . . . 0.0 110.368 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 21.8 m -124.51 132.43 53.47 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.376 -0.827 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.482 ' O ' ' HB2' ' A' ' 12' ' ' ARG . 1.6 t80 -82.4 85.73 6.85 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.258 -0.901 . . . . 0.0 110.099 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 11' ' ' GLY . 0.1 OUTLIER 61.5 55.87 2.71 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.418 -0.801 . . . . 0.0 110.322 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 10' ' ' ARG . . . 38.88 47.86 2.46 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 110.306 -1.117 . . . . 0.0 110.306 179.568 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.5 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 9.0 mmt180 -119.28 -18.03 8.71 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.082 -1.246 . . . . 0.0 110.164 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.5 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER 167.19 101.93 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.519 -0.738 . . . . 0.0 110.18 179.858 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 63.2 m -71.99 148.92 45.47 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.363 -0.836 . . . . 0.0 110.193 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.497 ' N ' ' CD1' ' A' ' 15' ' ' TYR . 5.9 p90 -138.98 81.94 1.87 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.406 -0.809 . . . . 0.0 109.788 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 15' ' ' TYR . 7.9 mtm105 -41.56 161.47 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.363 -0.835 . . . . 0.0 110.265 -179.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.18 109.22 1.52 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.222 -0.924 . . . . 0.0 110.306 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.486 ' CB ' ' HA ' ' A' ' 4' ' ' CYS . 7.2 p -179.52 129.1 0.1 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.368 -0.832 . . . . 0.0 110.309 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.631 0 O-C-N 121.272 -0.893 . . . . 0.0 110.183 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.42 ' O ' ' CG ' ' A' ' 1' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 121.256 0.55 . . . . 0.0 110.198 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -148.03 104.8 3.59 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.27 -0.894 . . . . 0.0 110.237 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.477 ' O ' ' HB2' ' A' ' 4' ' ' CYS . 2.7 t-105 -146.69 81.56 1.56 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.236 -0.915 . . . . 0.0 110.187 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.477 ' HB2' ' O ' ' A' ' 3' ' ' TRP . 1.9 m 59.03 131.1 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.379 -0.826 . . . . 0.0 110.47 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -123.56 -176.39 3.44 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.177 -0.952 . . . . 0.0 110.243 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.494 ' O ' ' CG ' ' A' ' 6' ' ' ARG . 6.8 ptt85 -167.52 114.05 0.74 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.195 -0.94 . . . . 0.0 110.308 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.1 t -102.26 137.02 31.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.36 -0.837 . . . . 0.0 110.205 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 12.7 m -117.37 123.66 47.02 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.264 -0.897 . . . . 0.0 110.365 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.486 ' O ' ' HB3' ' A' ' 12' ' ' ARG . 1.7 t80 -95.43 100.32 12.1 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.349 -0.845 . . . . 0.0 110.166 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' A' ' 11' ' ' GLY . 35.1 ttt180 39.79 55.01 2.53 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.304 -0.872 . . . . 0.0 110.748 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 10' ' ' ARG . . . 37.95 32.78 0.13 Allowed Glycine 0 N--CA 1.493 2.463 0 N-CA-C 110.488 -1.045 . . . . 0.0 110.488 179.534 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.516 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 0.5 OUTLIER -108.38 -8.65 15.57 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.053 -1.263 . . . . 0.0 109.728 179.711 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.516 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER 166.89 101.55 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.578 -0.702 . . . . 0.0 109.802 179.902 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 86.0 m -87.5 162.79 17.04 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.334 -0.854 . . . . 0.0 110.31 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -129.19 82.77 2.1 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.343 -0.848 . . . . 0.0 110.03 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.75 132.03 39.05 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.315 -0.866 . . . . 0.0 110.191 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.45 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 9.8 mmtt -110.48 103.2 11.79 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.179 -0.951 . . . . 0.0 110.082 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 178.05 134.23 0.07 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.417 -0.802 . . . . 0.0 110.188 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.5 mtm180 . . . . . 0 N--CA 1.491 1.589 0 O-C-N 121.169 -0.957 . . . . 0.0 110.185 179.946 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.573 0 CA-C-O 121.217 0.532 . . . . 0.0 110.214 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.86 114.12 25.1 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.295 -0.878 . . . . 0.0 110.157 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.408 ' O ' ' O ' ' A' ' 4' ' ' CYS . 0.0 OUTLIER -173.76 92.98 0.09 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.242 -0.911 . . . . 0.0 110.133 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.408 ' O ' ' O ' ' A' ' 3' ' ' TRP . 0.0 OUTLIER 62.55 133.15 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.295 -0.878 . . . . 0.0 110.092 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.734 ' O ' HG23 ' A' ' 7' ' ' VAL . 19.7 m-85 -114.68 84.66 2.1 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.33 -0.856 . . . . 0.0 110.114 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.46 ' HG2' ' CD ' ' A' ' 16' ' ' ARG . 24.8 mtt180 -58.68 128.83 39.16 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.299 -0.876 . . . . 0.0 110.413 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.734 HG23 ' O ' ' A' ' 5' ' ' PHE . 5.6 t -133.26 131.09 58.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.335 -0.853 . . . . 0.0 109.862 179.677 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.512 ' SG ' ' N ' ' A' ' 14' ' ' CYS . 1.4 t -130.03 143.93 51.06 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.249 -0.907 . . . . 0.0 110.443 -179.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.471 ' O ' ' HB2' ' A' ' 12' ' ' ARG . 8.0 t80 -96.34 92.48 6.35 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.4 -0.813 . . . . 0.0 110.292 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.486 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.1 OUTLIER 60.37 52.27 4.89 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.27 -0.894 . . . . 0.0 110.496 179.881 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 10' ' ' ARG . . . 38.11 38.57 0.58 Allowed Glycine 0 N--CA 1.494 2.52 0 N-CA-C 110.427 -1.069 . . . . 0.0 110.427 179.492 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.582 ' O ' ' CG ' ' A' ' 13' ' ' PHE . 0.4 OUTLIER -111.74 -11.02 14.02 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.127 -1.219 . . . . 0.0 110.283 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.582 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER 169.86 100.57 0.01 OUTLIER 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.544 -0.723 . . . . 0.0 110.054 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.512 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 11.0 m -85.08 150.3 24.96 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.378 -0.827 . . . . 0.0 110.212 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.623 ' N ' ' CD1' ' A' ' 15' ' ' TYR . 2.6 p90 -141.04 78.31 1.64 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.266 -0.897 . . . . 0.0 109.962 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.46 ' CD ' ' HG2' ' A' ' 6' ' ' ARG . 24.5 mtm180 -45.49 167.12 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.481 -0.762 . . . . 0.0 110.212 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -142.82 110.21 5.72 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.27 -0.894 . . . . 0.0 110.186 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -140.43 141.14 35.53 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.397 -0.814 . . . . 0.0 110.094 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.49 1.554 0 O-C-N 121.243 -0.911 . . . . 0.0 110.23 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.469 ' O ' ' CB ' ' A' ' 2' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.226 0.536 . . . . 0.0 110.115 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.469 ' CB ' ' O ' ' A' ' 1' ' ' ARG . 0.0 OUTLIER 66.37 129.11 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.282 -0.886 . . . . 0.0 110.224 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.456 ' O ' ' O ' ' A' ' 2' ' ' ARG . 62.4 m95 44.14 94.32 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.239 -0.913 . . . . 0.0 110.154 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.409 ' HB3' ' HB2' ' A' ' 18' ' ' CYS . 66.0 m -43.68 122.78 2.86 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.293 -0.879 . . . . 0.0 110.329 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -89.47 175.53 7.27 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.234 -0.916 . . . . 0.0 110.041 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.58 129.08 1.85 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.149 -0.969 . . . . 0.0 110.411 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.574 ' O ' ' CD2' ' A' ' 15' ' ' TYR . 21.9 t -113.74 127.14 71.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.31 -0.869 . . . . 0.0 110.191 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 5.2 t -135.59 145.89 47.38 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.304 -0.872 . . . . 0.0 110.29 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.461 ' O ' ' HB2' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -110.75 94.8 5.18 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.413 -0.804 . . . . 0.0 110.562 -179.924 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.494 ' O ' ' N ' ' A' ' 12' ' ' ARG . 7.9 tpp180 60.54 53.33 4.17 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.294 -0.879 . . . . 0.0 110.677 179.636 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 10' ' ' ARG . . . 37.67 28.75 0.04 OUTLIER Glycine 0 N--CA 1.494 2.533 0 N-CA-C 110.583 -1.007 . . . . 0.0 110.583 179.335 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.573 ' O ' ' CG ' ' A' ' 13' ' ' PHE . 0.2 OUTLIER -96.45 -12.82 23.69 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.053 -1.263 . . . . 0.0 110.073 179.693 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.573 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER 168.25 98.16 0.0 OUTLIER 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.692 -0.63 . . . . 0.0 109.781 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 23.6 m -83.34 163.99 20.29 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.381 -0.824 . . . . 0.0 110.321 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.574 ' CD2' ' O ' ' A' ' 7' ' ' VAL . 19.5 m-85 -128.66 81.85 2.05 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.235 -0.915 . . . . 0.0 110.035 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.64 141.26 44.19 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.282 -0.886 . . . . 0.0 110.256 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.6 tptp -147.56 103.9 3.57 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.265 -0.897 . . . . 0.0 110.161 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.409 ' HB2' ' HB3' ' A' ' 4' ' ' CYS . 35.4 t -160.29 100.29 1.35 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.408 -0.807 . . . . 0.0 110.163 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.571 0 O-C-N 121.304 -0.872 . . . . 0.0 110.245 -179.985 . . . . . . . . 1 1 . 1 stop_ save_